     646
 i =        1, E =         0.0075122660
 Rh         3.6611871003        0.2341401483        4.8396413212
  P         5.4055750990        0.6599424620        6.2951393199
  C         5.2359985827       -0.3111196012        7.8640018826
  C         4.8359997882       -1.7774783651        7.6024983700
  C         4.5121843841       -2.4830444282        8.9288268483
  C         5.6934977537       -2.4065360441        9.9057969798
  C         6.1596845362       -0.9595504143       10.1262176367
  C         6.4506077251       -0.2314787431        8.8023624575
  C         5.6766317120        2.4278578824        6.8101747450
  C         4.6683786132        2.8590113642        7.8963805902
  C         4.7472157684        4.3640437572        8.1947705766
  C         4.5879001677        5.1964261146        6.9212757395
  C         5.6616227817        4.8233412645        5.8974905364
  C         5.5977752948        3.3280359674        5.5559010216
  C         7.0212604700        0.1372768324        5.5169759679
  C         6.9791696917        0.2600955203        3.9835731583
  P         5.3217169088       -0.2478793178        3.3039403449
  C         5.5232194388       -2.0301970573        2.8085365311
  C         4.3928889705       -2.4436640874        1.8432617617
  C         4.3579664126       -3.9559371136        1.5914753724
  C         4.3028242140       -4.7519813846        2.8988053901
  C         5.5157177855       -4.4131842929        3.7708787550
  C         5.5586149837       -2.9071937428        4.0807123811
  C         5.0868592571        0.6860031263        1.7214442496
  C         4.7755858016        2.1772027977        1.9651962917
  C         4.3795857586        2.8551730887        0.6435774869
  C         5.4818804517        2.6969887820       -0.4133134471
  C         5.8470320740        1.2205546550       -0.6307396944
  C         6.2153274118        0.5159877123        0.6886386695
  C         1.9108468513        0.2723000865        3.4818843315
  C         1.9000826984       -0.9383020867        4.1813728054
  C         1.0696350592       -0.7035341429        5.4579425275
  C         1.9626001738        0.2553413896        6.2749108796
  C         1.9730348308        1.4657868591        5.5774103555
  C         1.0868329833        1.2648608979        4.3324648503
  C         0.0164154865        0.3016450572        4.9160590648
  H         4.3819444606        0.1739258368        8.3655402934
  H         5.6598975654       -2.3075253134        7.1019437566
  H         3.9759436722       -1.8180670273        6.9147581794
  H         4.2432793299       -3.5309478599        8.7371730814
  H         3.6273160014       -2.0122688937        9.3826083812
  H         5.4165560379       -2.8600177334       10.8679558591
  H         6.5291174910       -3.0053800020        9.5168826213
  H         7.0630725587       -0.9406293611       10.7533357283
  H         5.3809746118       -0.4053661351       10.6731736580
  H         6.7323662660        0.8109737444        9.0041870255
  H         7.3152142928       -0.7016396423        8.3163920896
  H         6.6934373312        2.4868606235        7.2333783628
  H         4.8473780835        2.2920773543        8.8205920828
  H         3.6461678295        2.6149228526        7.5728516513
  H         5.7169729033        4.5968147807        8.6582712646
  H         3.9760104023        4.6324279701        8.9302455833
  H         4.6363263022        6.2668963027        7.1636916374
  H         3.5901625200        5.0319250135        6.4878257259
  H         6.6539843745        5.0787355184        6.2950632561
  H         5.5376705727        5.4023073352        4.9728586544
  H         6.4073615322        3.0726409600        4.8555838092
  H         4.6553721290        3.1157113599        5.0239721546
  H         7.8516343041        0.7231928618        5.9354591789
  H         7.1862254931       -0.9076136296        5.8176951676
  H         7.7788806816       -0.3283085547        3.5108790895
  H         7.1292429195        1.3062706414        3.6802574232
  H         6.4913586441       -2.1223477868        2.2897781363
  H         4.5005916762       -1.9155655099        0.8856401299
  H         3.4249333084       -2.1287954541        2.2572797125
  H         5.2546540341       -4.2479527173        1.0256209178
  H         3.4968997281       -4.1955164264        0.9541411405
  H         4.2548956150       -5.8272855665        2.6777749089
  H         3.3771678872       -4.5171179872        3.4451291018
  H         5.4954156793       -4.9668816994        4.7216871164
  H         6.4329111839       -4.7166847551        3.2448861262
  H         6.4562441366       -2.6713512059        4.6701505841
  H         4.6948762057       -2.6403502581        4.7117785371
  H         4.1744770844        0.2220991650        1.3111944724
  H         5.6596841122        2.6803832475        2.3853874189
  H         3.9745640227        2.2818017006        2.7142507026
  H         4.1641046990        3.9193443632        0.8125646943
  H         3.4440945069        2.4029716602        0.2782533341
  H         6.3725992898        3.2538896395       -0.0851540467
  H         5.1630543989        3.1491772878       -1.3641040675
  H         6.6806501097        1.1285505912       -1.3428917977
  H         4.9884716515        0.6994949777       -1.0846315988
  H         7.1410579758        0.9523829206        1.0869447758
  H         6.4170460168       -0.5468780971        0.4990312651
  H         2.1550722739        0.4198166097        2.4342943142
  H         2.1482455022       -1.9231578682        3.7967222380
  H         0.7255859932       -1.5997453348        5.9789404979
  H         2.2415902009        0.1026614809        7.3112431285
  H         2.2744018857        2.4379275407        5.9576945823
  H         0.7573732676        2.1764132776        3.8269537132
  H        -0.5807015909        0.7622988063        5.7092793340
  H        -0.6329616925       -0.1320885436        4.1491926720
 Rh        14.7504673003       19.6427012603       14.9489785321
  P        13.0105417047       19.2158741657       13.4846143081
  C        13.1808146832       20.2082868518       11.9274633544
  C        13.5514853130       21.6781253229       12.2059854173
  C        13.8585337619       22.4068372007       10.8885170792
  C        12.6831180213       22.3183755807        9.9065276362
  C        12.2518483029       20.8641317946        9.6674789884
  C        11.9719747661       20.1148762638       10.9830417476
  C        12.7348662086       17.4587577041       12.9269118944
  C        13.7771191547       17.0352898856       11.8709979815
  C        13.6820564778       15.5399423827       11.5265199538
  C        13.7626630642       14.6632009363       12.7795310862
  C        12.6546280169       15.0413971942       13.7655303989
  C        12.7497351801       16.5244903266       14.1567048694
  C        11.3911648993       19.7315200391       14.2618069939
  C        11.4357907476       19.6154757783       15.7954499470
  P        13.0918213602       20.1218159138       16.4820962850
  C        12.8881133391       21.8957516355       17.0049983984
  C        14.0108127590       22.2957878647       17.9847713865
  C        14.0387857537       23.8042997570       18.2668306915
  C        14.0910093877       24.6230313989       16.9748282305
  C        12.8840095817       24.2929424306       16.0951152511
  C        12.8576329849       22.7958551995       15.7511217040
  C        13.3320630535       19.1658386579       18.0524576950
  C        13.6145526312       17.6761676936       17.7751385006
  C        14.0055476602       16.9566535786       19.0753472581
  C        12.9247168215       17.1195693663       20.1534422484
  C        12.5948810785       18.6001624668       20.4004689214
  C        12.2173600592       19.3348857640       19.0992641364
  C        16.5017793810       19.6286975895       16.3100655788
  C        16.4940300399       20.8373433020       15.6080638438
  C        17.3313150683       20.6131008057       14.3339287929
  C        16.4532814024       19.6401746565       13.5155172439
  C        16.4583210961       18.4335466400       14.2164632588
  C        17.3413845317       18.6486693368       15.4622783585
  C        18.3994126132       19.6277792513       14.8821899905
  H        14.0494127744       19.7443518542       11.4299703369
  H        12.7183573209       22.1865804976       12.7141483502
  H        14.4152696954       21.7226180571       12.8874690563
  H        14.1125340830       23.4566771705       11.0900317690
  H        14.7509300814       21.9517943446       10.4359907949
  H        12.9547191474       22.7869619389        8.9497347117
  H        11.8339045050       22.8941192619       10.3009469196
  H        11.3533699294       20.8349407948        9.0330420937
  H        13.0480948455       20.3367022492        9.1188410394
  H        11.7126124705       19.0697057431       10.7718423079
  H        11.0961696626       20.5589512276       11.4749893434
  H        11.7338503234       17.4185571889       12.4681928790
  H        13.6506544487       17.6266180795       10.9542506399
  H        14.7885802892       17.2515585805       12.2433599461
  H        12.7341593636       15.3405370472       11.0071668509
  H        14.4863614285       15.2837778967       10.8226532940
  H        13.6980599746       13.6022829550       12.4991231405
  H        14.7437974519       14.7828019690       13.2627525245
  H        11.6736691183       14.8358361162       13.3124068627
  H        12.7165018377       14.4332558211       14.6785485413
  H        11.9239871045       16.7840651513       14.8340041451
  H        13.6797999951       16.6951995167       14.7241664749
  H        10.5625308370       19.1393352146       13.8471109072
  H        11.2197943596       20.7758560178       13.9600036405
  H        10.6354436295       20.2049873055       16.2634215365
  H        11.2864962264       18.5704927608       16.1039377177
  H        11.9158099905       21.9790678556       17.5174146716
  H        13.8959839918       21.7512140753       18.9317081092
  H        14.9832247587       21.9854489074       17.5790902237
  H        13.1408301284       24.0866152868       18.8356561988
  H        14.8976314292       24.0352802620       18.9094009221
  H        14.1292363297       25.6947542461       17.2132165821
  H        15.0176809319       24.3997913974       16.4241122071
  H        12.9047935691       24.8672411309       15.1572712864
  H        11.9598534078       24.5737845500       16.6203514522
  H        11.9668800808       22.5661344115       15.1503382329
  H        13.7296232733       22.5543466869       15.1223402869
  H        14.2563479880       19.6044939882       18.4659766619
  H        12.7181527613       17.2000367486       17.3512262300
  H        14.4097993934       17.5790225421       17.0191611380
  H        14.1894143132       15.8916728830       18.8716076336
  H        14.9579185358       17.3687224112       19.4417883053
  H        12.0101763968       16.5929215899       19.8430141229
  H        13.2532799416       16.6419477321       21.0884544355
  H        11.7699122032       18.6837781479       21.1240330413
  H        13.4684568885       19.0991457768       20.8488986228
  H        11.2768919420       18.9230713857       18.7096032592
  H        12.0387685706       20.3986278322       19.3054342267
  H        16.2534063357       19.4776813183       17.3556190595
  H        16.2311493317       21.8189788558       15.9916531856
  H        17.6671366631       21.5133736492       13.8161402898
  H        16.1720296835       19.7930744066       12.4775467741
  H        16.1697275519       17.4537541787       13.8440976827
  H        17.6799667981       17.7415909939       15.9682520902
  H        19.0092254082       19.1775103687       14.0930638875
  H        19.0408509710       20.0778527511       15.6478050879
 Rh         5.9402849813       10.0597827614       15.0128287331
  P         4.1647975587        9.6567346154       13.5855204340
  C         3.8189751506        7.8933627829       13.0985552731
  C         3.8530840948        6.9938067151       14.3511617294
  C         3.7813005952        5.5000499169       13.9985132318
  C         4.8843002007        5.1081532508       13.0136927172
  C         4.7574388259        5.9323167966       11.7317495077
  C         4.8262186187        7.4383986083       12.0274619687
  C         2.5738303791       10.2463866402       14.3572758453
  C         2.6177028289       10.1268760441       15.8887335970
  P         4.3007989275       10.5833912632       16.5490216983
  C         4.1436821814       12.3650363226       17.0513776803
  C         4.1051959874       13.2463752521       15.7816902917
  C         4.1553440394       14.7485651475       16.0978366029
  C         5.3748052089       15.0714795816       16.9670881533
  C         5.3289453583       14.2658019006       18.2688245388
  C         5.2898877474       12.7555897441       18.0066513180
  C         4.5113836650        9.6262952599       18.1189240158
  C         4.7532659925        8.1301638800       17.8410545885
  C         5.0537403655        7.3769368697       19.1436583792
  C         3.9295895181        7.5691516882       20.1708304740
  C         3.3791304725        9.8337653595       19.1368484236
  C         3.6736652220        9.0607873470       20.4353657486
  C         4.3644573008       10.6146501676       12.0099191909
  C         4.7888304484       12.0749578363       12.2669552716
  C         5.1127824334       12.7745923253       10.9358943895
  C         3.9295940595       12.7161039075        9.9591616989
  C         3.4470134531       11.2745329239        9.7453449722
  C         3.1462395474       10.5598828080       11.0763973743
  C         7.7478781541       11.1827886864       15.6518435039
  C         7.5881022529        8.7531578608       14.3088335316
  C         8.4793269882        8.9468895168       15.5525201356
  C         9.5893531480        9.8584734447       14.9590816759
  C         8.5762150003       10.8870515188       14.3862542595
  C         7.6902405599        9.9878536765       16.3767982192
  C         7.6476042637        9.9477699051       13.5855003133
  H         2.8026392108        7.8675279273       12.6692457889
  H         4.7863954913        7.1896440407       14.9031983110
  H         3.0283968128        7.2575009426       15.0292354119
  H         2.8027741427        5.2620712045       13.5583881171
  H         3.8602566883        4.9200966360       14.9252662385
  H         5.8697678980        5.2796555994       13.4719542821
  H         4.8407380581        4.0334339968       12.7858067984
  H         5.5411113500        5.6658460398       11.0104171219
  H         3.7983845152        5.6999337979       11.2475267129
  H         4.6414560810        7.9998791568       11.1063755460
  H         5.8486571158        7.6919048081       12.3476480759
  H         2.4471712930       11.2958009705       14.0565865723
  H         1.7241288691        9.6898349460       13.9368824835
  H         1.8436389105       10.7489606237       16.3606531615
  H         2.4246942930        9.0904221541       16.1992870795
  H         3.1829742264       12.4724746561       17.5807264087
  H         4.9622231315       12.9841175517       15.1417176872
  H         3.1994236869       13.0185578086       15.2010044245
  H         4.1695281256       15.3142509129       15.1527118728
  H         3.2369381119       15.0469018941       16.6229293011
  H         5.4287530657       16.1437684808       17.1963435398
  H         6.3000676548       14.8378842582       16.4178221543
  H         6.1971561408       14.5002275807       18.8977896222
  H         4.4392442297       14.5565292011       18.8459174171
  H         6.2533890516       12.4380180045       17.5842410139
  H         5.1869217311       12.2173823843       18.9594823924
  H         5.4383373583       10.0363218811       18.5516345155
  H         5.5761028012        8.0086296514       17.1205683084
  H         3.8587409035        7.6953094213       17.3750951170
  H         6.0008586365        7.7501094149       19.5613406518
  H         5.2057819361        6.3095208521       18.9270311100
  H         4.1828917718        7.0540084901       21.1073941912
  H         3.0054310469        7.0988471871       19.8050128084
  H         3.2477744638       10.9028123698       19.3502992381
  H         2.4307234012        9.4753571992       18.7139787618
  H         4.5583999418        9.4954722073       20.9268220538
  H         2.8307884197        9.1839868188       21.1302156399
  H         5.2059436142       10.1050134776       11.5104464528
  H         5.6577984551       12.1063532061       12.9447883138
  H         3.9764221927       12.6133097980       12.7782380996
  H         5.4004892442       13.8184997703       11.1213293879
  H         5.9899510370       12.2903068977       10.4839027744
  H         4.2108649950       13.1659053491        8.9947860628
  H         3.1034594964       13.3235842625       10.3518539772
  H         2.5504944076       11.2613092282        9.1087607677
  H         4.2265197575       10.7106344780        9.2091824791
  H         2.2938354157       11.0464007514       11.5690747624
  H         2.8450523735        9.5228877754       10.8881424317
  H         7.5416122497       12.1845048265       16.0158364617
  H         7.2463624735        7.7857253904       13.9532976354
  H         8.7701815011        8.0361464985       16.0812994905
  H        10.2488454479       10.2844891355       15.7245491375
  H        10.1796323912        9.3670528912       14.1788346450
  H         8.9620096423       11.7561997647       13.8469720443
  H         7.4403761174        9.8738149144       17.4258745390
  H         7.3704997033       10.1009096029       12.5471372013
 Rh        12.5182548500        9.8190293318        4.6312597525
  P        14.2442374322       10.1206579153        6.1885878167
  C        14.4038204698       11.9053059702        6.7025311537
  C        14.8372681914       12.8466670896        5.5623558754
  C        14.8989045676       14.3048960598        6.0559481632
  C        13.5628277076       14.7573585509        6.6554568736
  C        13.1509224463       13.8340608003        7.8080759827
  C        13.0798265921       12.3756599393        7.3301294945
  C        15.8878035725        9.6742861308        5.4383277662
  C        15.8424077119        9.8512647512        3.9102356236
  P        14.1784256350        9.4089027076        3.2014055405
  C        14.2955334367        7.6101028885        2.7352773535
  C        14.5119262357        6.7202154360        3.9759240195
  C        14.4460834467        5.2203920191        3.6461597083
  C        13.1379215750        4.8718173448        2.9282501033
  C        13.0159003961        5.6928133064        1.6403313271
  C        13.0489867303        7.1976491435        1.9308762813
  C        14.0217613382       10.3126655713        1.5850370770
  C        13.8272524522       11.8281983104        1.7767275255
  C        13.4601553638       12.4963373552        0.4474030430
  C        14.5339051278       12.2353499036       -0.6123156538
  C        15.1234096972       10.0338032225        0.5486324632
  C        14.7906733036       10.7312652895       -0.7860476568
  C        14.0941215249        9.2026038831        7.7966216214
  C        13.8208503092        7.7003675990        7.5866863388
  C        13.4440004023        7.0291825934        8.9175409999
  C        14.5534890469        7.2148330182        9.9614216107
  C        14.9166466743        8.6987130823       10.1346291857
  C        15.2369423642        9.4030352859        8.8011888895
  C        10.6321721837        9.9328753971        3.6166840775
  C        10.7376734760        9.1599610046        6.2027728393
  C         9.5561694790       10.0286518142        5.7472845072
  C         8.7585047483        9.0101066194        4.8912302860
  C         9.9950379982        8.5764317609        4.0770203494
  C        10.0604722250       10.9651735619        4.6168338247
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  H        16.0037037991       10.9040163105        3.6394725694
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  H        14.5665596649        4.6472492518        4.5778101937
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  H        15.2327848360        8.9533028657        0.3832336075
  H        16.0885375757       10.3975959579        0.9215805451
  H        13.8965399273       10.2591994164       -1.2223427539
  H        15.6135108414       10.5660785643       -1.4973648912
  H        13.1827726219        9.6480673320        8.2322774439
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  H        14.7195153361        7.2141157763        7.1772854274
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  H        15.4453347693        6.6519695837        9.6524989577
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  H        14.0722993477        9.2172061531       10.6164658782
  H        16.1675438459        9.0000047234        8.3804486454
  H        15.4179779259       10.4699172536        8.9843498391
  H        10.5215728207       10.1576520719        2.5550671902
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  H         9.0319459297       10.5412176178        6.5531111232
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  H         9.8684409679        7.8271797969        3.2917353490
  H         9.2332619499       11.5452757148        4.1790758851
  H        11.5850784171        7.3368208306        5.2448515296
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  F         7.3427886886       10.8284087728       -0.2898582703
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  C         6.9422576291        8.8189674674        1.6090818134
  C         6.4159271699        7.8243083456        2.4315749970
  C         5.5443932789        8.1482629547        3.4817866291
  C         5.1574130379        9.4751355697        3.7532998645
  C         5.7132793707       10.4649246437        2.9147943651
  B         4.2598580592        9.8991470272        5.0642841343
  C         3.2362216367        8.7240363776        5.5722417936
  C         2.6216463078        7.8531456521        4.6640863141
  C         1.7020203666        6.8749030693        5.0646246493
  C         1.3270589214        6.7413425888        6.4037950456
  C         1.9036607827        7.6268274926        7.3242715683
  C         2.8333801670        8.5919695645        6.9142832566
  C         1.5887865862        7.5320943768        8.7924872260
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  F         2.6849191438        7.1614694182        9.5337315552
  F         1.1774703529        8.7316766846        9.3135671603
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  F         2.2497325476        5.2403310336        3.4428028469
  F         0.2612849915        5.0691194162        4.3289164843
  F         0.7209115954        6.7243173571        2.9279608129
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  C         5.9072055997        9.1921942151        6.9492297244
  C         6.8575827746        9.3889178273        7.9513871364
  C         7.3089895798       10.6732765235        8.2645907709
  C         6.8227962901       11.7412914386        7.4923782553
  C         5.8786400938       11.5229585776        6.4793204000
  C         7.3354462436       13.1427956143        7.6997228085
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  F         6.3560160675       14.0805358074        7.4843919129
  F         8.3398066593       13.4813054744        6.8168219770
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  F         7.4250139841        7.1009308548        7.7773390092
  F         6.2864511612        7.7314070138        9.5352382612
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  C         2.6365827788       11.2822671846        3.5222653179
  C         1.6763983006       12.2704941422        3.2884284486
  C         1.2991347581       13.1697095031        4.2809796141
  C         1.8995901238       13.0397173850        5.5317310513
  C         2.8448347470       12.0334454270        5.7766124709
  C         1.1069542447       12.3799757302        1.9170503585
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  F         1.8924171952       13.1559141488        1.0974390346
  F        -0.1580455244       12.9020602512        1.9052656169
  C         6.8099176292        6.3890770709        2.2099973898
  F         7.6137471123        6.2344281309        1.1114433043
  F         7.4968021755        5.8854970215        3.2967350366
  F         5.7186255560        5.5623634267        2.0527674309
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  F         2.7472600106       14.5669702385        7.1182027357
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  H         7.6156945976        8.5700296964        0.7947279679
  H         5.1631607061        7.3399101743        4.1051084095
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  H         5.5223603479       12.3796725145        5.9079587881
  H         2.9025943770       10.6078906390        2.7136511334
  H         0.5643643506       13.9458534310        4.0827976789
  H         3.2776351590       11.9610507220        6.7736565246
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  F        11.9368817799        7.4661579468       18.8389044169
  F        11.2155609656        9.0219870063       20.1777515601
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  C        11.4346392869       11.0319525179       18.1841161141
  C        11.8889374937       12.0132671017       17.3027630056
  C        12.7724447591       11.6861464906       16.2640725005
  C        13.2417358561       10.3785141346       16.0608144265
  C        12.7517735917        9.3968998046       16.9492278642
  B        14.1582795945        9.9813471232       14.7617169819
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  C        15.7672862128       12.0521560399       15.2238616180
  C        16.7045188771       13.0195260086       14.8382610794
  C        17.0948596152       13.1467265081       13.5009768192
  C        16.5217725714       12.2803338196       12.5634594951
  C        15.5828894178       11.3198311835       12.9579949043
  C        16.8626241493       12.3929706854       11.0997765619
  F        17.8685234790       13.2710016766       10.8540051444
  F        15.8001305517       12.8205290792       10.3395525074
  F        17.2395051382       11.1866133073       10.5606655830
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  F        18.1484875624       14.8385807403       15.4053499036
  F        17.8389574655       13.2543604956       16.9337866939
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  C        12.4661185628       10.6738364142       12.8176886474
  C        11.4896714376       10.4143397441       11.8461614319
  C        11.0562104948        9.1081294611       11.6043952958
  C        11.6026701651        8.0792655247       12.3760093650
  C        12.5727443196        8.3451483052       13.3467692190
  C        11.0267234815        6.7013456539       12.2298307340
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  F        11.9226258882        5.6928068878       12.4654195606
  F        10.0070116144        6.4983938913       13.1305670490
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  F         9.7384088057       11.1770051139       10.4098648237
  F        10.6300448025       12.6550183864       11.7350019817
  F        11.7565436643       11.8871604499        9.9871236491
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  C        15.8271812447        8.5381734897       16.2949493987
  C        16.7707247074        7.5195449343       16.4734650745
  C        17.0867686501        6.6468849425       15.4313061722
  C        16.4717598648        6.8257930186       14.2044030657
  C        15.5505716919        7.8625325006       14.0108163121
  C        17.4513097443        7.2093813832       17.7727775380
  F        17.6082840430        8.2668119786       18.6244490205
  F        16.7851880030        6.2451719864       18.4829361069
  F        18.7075978352        6.7172322414       17.5329257377
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  F        10.4810011450       13.7341846869       16.4313425435
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  F        17.3763308770        6.5274159873       12.0272247971
  F        15.6561502261        5.2682722308       12.6094956198
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  H        10.7442997573       11.2813135146       18.9863963845
  H        13.0927079356       12.4789577250       15.5883547608
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  H        10.2932457190        8.8977623599       10.8616690017
  H        12.9551419395        7.5119409300       13.9359649540
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  H        17.7971536445        5.8417494026       15.5853144474
  H        15.1083667529        7.9864167171       13.0248139195
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  F         3.3563403076       17.0842685809       18.6321465845
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  F         3.9094939249       23.9633393295       17.3054535696
  F         1.9889818408       23.2927410496       16.4304240051
  B         5.5923179974       19.6234744527       14.6706935130
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  C         7.2301088678       18.2571571177       16.2501823834
  C         8.2038398702       17.2839886085       16.5018723628
  C         8.6054071052       16.3930949561       15.5078846988
  C         8.0131647064       16.5109599519       14.2518850737
  C         7.0527766681       17.4986676417       13.9927783415
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  F        10.0094807568       16.5639969059       17.8936658453
  F         7.9614189433       16.3840114633       18.6987084106
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  C         7.9896871074       21.9802664383       12.5722313618
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  C         8.3846712560       22.1122313733       11.1314560584
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  F         7.3276269501       22.5107067983       10.3402117544
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  C         2.9879297624       20.0392171289       11.7051888248
  C         3.9558775811       20.3045088262       12.6807134679
  C         2.3888693429       21.1376148178       10.8791236025
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  F         1.0828883779       21.4010508264       11.2190269904
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  F         3.4356378079       15.3731904811       12.3930520026
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  H         6.6552959588       20.3521920683       12.1491840505
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  H         1.7789418371       18.5162918520       10.7285448428
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  F        15.0572748633        2.8230138904        1.1682859185
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  C        14.2817958097        0.8873484089        2.9786799758
  C        13.7616657503       -0.1003720489        3.8412789410
  C        14.1879059112       -1.4171944998        3.5964142362
  C        15.0440747180       -1.7334637070        2.5331264123
  C        15.5285955988       -0.7486207260        1.6768204687
  C        15.5143738375       -3.1449591625        2.3734984183
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  F        14.5014605038       -4.0556101803        2.4943095309
  F        16.4263535171       -3.4529139228        3.3690117035
  B        12.8185782867        0.2710014399        5.1339948611
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  C        11.1739399899        1.6288996529        3.5514945216
  C        10.1982696750        2.5973836893        3.2928753928
  C         9.7848751227        3.4844380037        4.2960664667
  C        10.3658416471        3.3650281450        5.5626978416
  C        11.3326055142        2.3827553628        5.8144799891
  C         9.9876415920        4.3098197196        6.6749448226
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  F         9.1978179010        5.3386572776        6.2357512217
  F         9.3074592261        3.6803016136        7.6946667362
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  F         8.4055658577        3.3421749037        1.9044849756
  F        10.4540048545        3.5259806158        1.1021218950
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  C        11.2430338242       -1.8223530619        4.5882563340
  C        10.3038862633       -2.8025826524        4.9322797959
  C         9.8703542363       -2.9495361705        6.2546686619
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  C        11.3406743849       -1.1082921541        6.8642187324
  C         9.9868418485       -2.1870078419        8.6585210365
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  F         8.9638722232       -3.0584206741        8.8711892015
  F        11.0214201101       -2.6068084221        9.4604925919
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  F        10.7197595409       -4.4520500773        3.2287984868
  F         9.1418229125       -2.9671552771        2.8561929338
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  C        14.3858205450        1.9163828080        6.5534589873
  C        15.3586768593        2.1903592912        7.5269114078
  C        15.8833717313        1.1686286825        8.3162428922
  C        15.4215167817       -0.1327087398        8.0951528208
  C        14.4547442862       -0.4031362495        7.1234215038
  C        16.0245840184       -1.2296676716        8.9207860141
  F        16.0412102355       -0.8754957081       10.2604395985
  F        17.3302180753       -1.4922268449        8.5804942200
  F        15.3717971821       -2.4169411774        8.8035850349
  C        15.9205996963        3.5774562948        7.6406215736
  F        16.4806122097        3.8566100765        8.8595591764
  F        14.9777678797        4.5357462186        7.4064687159
  F        16.8932704354        3.7865920541        6.6794496711
  H        14.0096806378        1.9296566464        3.1382414657
  H        13.8382718237       -2.2208656194        4.2443187755
  H        16.1952741419       -1.0015363552        0.8571625054
  H        11.4751973687        0.9591494785        2.7466923975
  H         9.0425239578        4.2476739460        4.0860752511
  H        11.7567224661        2.3159152981        6.8158105554
  H        11.5410511325       -1.7390355783        3.5436207829
  H         9.1561403995       -3.7209558698        6.5249617328
  H        11.7222932404       -0.4521486430        7.6451249557
  H        14.0078888010        2.7418928714        5.9506470036
  H        16.6384114893        1.3793243926        9.0681033246
  H        14.1327722843       -1.4332082801        6.9821333944
  H        10.7954190182       11.7061141512        4.9753862698
  H        12.3531586746       10.6944106419        3.3775996126
     646
 i =        2, E =         0.0121987533
 Rh         3.6582655124        0.2369803321        4.8382971005
  P         5.4034956841        0.6589382233        6.2946190860
  C         5.2387868183       -0.3105427104        7.8644594607
  C         4.8338101092       -1.7758918822        7.6026753246
  C         4.5102501595       -2.4804687549        8.9293864597
  C         5.6927773791       -2.4009940808        9.9047857638
  C         6.1602039353       -0.9548461321       10.1263116976
  C         6.4533407801       -0.2282940524        8.8036035581
  C         5.6754333460        2.4259314215        6.8092717042
  C         4.6687431442        2.8561375714        7.8977736980
  C         4.7446314713        4.3616206636        8.1934171606
  C         4.5864190111        5.1919097558        6.9190947487
  C         5.6639325382        4.8221266194        5.8994662773
  C         5.5960884489        3.3277725170        5.5553676504
  C         7.0185681730        0.1347597960        5.5145977085
  C         6.9761981418        0.2584789740        3.9816449831
  P         5.3209056124       -0.2478918386        3.3017732230
  C         5.5229540069       -2.0308715826        2.8062376661
  C         4.3919668527       -2.4446038065        1.8417246310
  C         4.3592638056       -3.9563939620        1.5867559241
  C         4.3009490740       -4.7535307874        2.8942894137
  C         5.5119514065       -4.4146456574        3.7703646611
  C         5.5552403921       -2.9067506264        4.0793811917
  C         5.0920927970        0.6873523944        1.7203258697
  C         4.7798784506        2.1798515119        1.9645549214
  C         4.3798446402        2.8547710860        0.6424451518
  C         5.4814107535        2.6946025656       -0.4145515753
  C         5.8511399480        1.2196341566       -0.6322501097
  C         6.2218337582        0.5170260637        0.6870355599
  C         1.9121037531        0.2717451696        3.4824236610
  C         1.9005515916       -0.9407623030        4.1784774935
  C         1.0688831246       -0.7087415710        5.4544012586
  C         1.9586664028        0.2515856658        6.2724568427
  C         1.9669908565        1.4635529295        5.5791071866
  C         1.0846445964        1.2625038995        4.3322461186
  C         0.0151982744        0.2982806198        4.9157226512
  H         4.3866221903        0.1730969465        8.3702589174
  H         5.6541098933       -2.3120648394        7.1025554982
  H         3.9741845386       -1.8130306641        6.9134250800
  H         4.2481688616       -3.5297516508        8.7359862401
  H         3.6250189735       -2.0142491286        9.3878125089
  H         5.4180327569       -2.8527539274       10.8677339453
  H         6.5287348842       -3.0003343062        9.5168998945
  H         7.0636213222       -0.9387030343       10.7532874273
  H         5.3858166322       -0.3958849837       10.6742139924
  H         6.7349303630        0.8143779592        9.0078115695
  H         7.3186720779       -0.7023475361        8.3234556490
  H         6.6929212984        2.4799888998        7.2326458554
  H         4.8530122532        2.2904858735        8.8223798851
  H         3.6461005980        2.6130874949        7.5744327170
  H         5.7129253755        4.5966330863        8.6589464377
  H         3.9699824514        4.6339598347        8.9237195272
  H         4.6325031834        6.2620664860        7.1609107883
  H         3.5889699794        5.0276349662        6.4839823547
  H         6.6547001918        5.0764424999        6.3030289483
  H         5.5444451771        5.4057163841        4.9771291152
  H         6.4039663967        3.0716476002        4.8535490662
  H         4.6521040777        3.1202759328        5.0227620759
  H         7.8495036679        0.7230281329        5.9277925587
  H         7.1846116809       -0.9091453313        5.8190036593
  H         7.7756064411       -0.3282406106        3.5060192797
  H         7.1248743540        1.3060766726        3.6809572682
  H         6.4925371954       -2.1235569321        2.2905902535
  H         4.4923771632       -1.9126603690        0.8851924485
  H         3.4264713866       -2.1343720090        2.2647294616
  H         5.2560356043       -4.2445249401        1.0187329097
  H         3.5005986445       -4.1985931227        0.9469453684
  H         4.2488647883       -5.8281569970        2.6694354519
  H         3.3748935068       -4.5184904433        3.4393449125
  H         5.4909899354       -4.9658041591        4.7232639435
  H         6.4263750579       -4.7199941693        3.2401681425
  H         6.4510551226       -2.6679645805        4.6707861883
  H         4.6906379797       -2.6337770128        4.7074262018
  H         4.1813853646        0.2180659856        1.3132488213
  H         5.6643359562        2.6833997805        2.3844578567
  H         3.9806726283        2.2882868729        2.7152599384
  H         4.1677853415        3.9213514715        0.8034256007
  H         3.4422127475        2.4008838669        0.2840702278
  H         6.3679346594        3.2561794149       -0.0819456410
  H         5.1605880682        3.1427929955       -1.3663312460
  H         6.6803120686        1.1269204255       -1.3502603952
  H         4.9925746287        0.6953545278       -1.0817122818
  H         7.1449848235        0.9591147980        1.0852496784
  H         6.4235240038       -0.5460370815        0.4960979333
  H         2.1610509627        0.4230245865        2.4365517188
  H         2.1500040813       -1.9246076404        3.7911463543
  H         0.7265730705       -1.6054445404        5.9756441807
  H         2.2352715403        0.1032696401        7.3093257679
  H         2.2632011817        2.4349574716        5.9663176002
  H         0.7555355245        2.1742645833        3.8268494979
  H        -0.5758470389        0.7597752649        5.7132630123
  H        -0.6371872707       -0.1318018404        4.1500177276
 Rh        14.7504085440       19.6415802237       14.9493777482
  P        13.0082000791       19.2165980157       13.4843573367
  C        13.1780715507       20.2088075724       11.9278133035
  C        13.5496607496       21.6780447430       12.2077562804
  C        13.8557287593       22.4057990235       10.8905380680
  C        12.6820276338       22.3158434114        9.9074920671
  C        12.2522276656       20.8616068633        9.6669249395
  C        11.9703514803       20.1125226668       10.9819445698
  C        12.7326367782       17.4601678037       12.9240110213
  C        13.7737261898       17.0370157930       11.8678590203
  C        13.6771958200       15.5410416650       11.5277311292
  C        13.7622968773       14.6650017521       12.7806329047
  C        12.6536664791       15.0411483741       13.7656321401
  C        12.7489909749       16.5253019802       14.1532587305
  C        11.3882834935       19.7317255605       14.2624958821
  C        11.4393524322       19.6190982175       15.7960399175
  P        13.0940642415       20.1237697063       16.4837041193
  C        12.8891788381       21.8978761440       17.0047323276
  C        14.0101077689       22.2998495665       17.9850550979
  C        14.0388632181       23.8094799176       18.2640709835
  C        14.0898766959       24.6265893484       16.9714930213
  C        12.8841273175       24.2924357411       16.0932110332
  C        12.8640071863       22.7952554728       15.7505858675
  C        13.3312681913       19.1675249123       18.0554568520
  C        13.6129284311       17.6775463278       17.7761564715
  C        14.0057241962       16.9568571167       19.0748732000
  C        12.9269097494       17.1199748871       20.1536351782
  C        12.5942351676       18.5996827343       20.4007882975
  C        12.2143253837       19.3365000640       19.1008264157
  C        16.5001662259       19.6301184866       16.3097630061
  C        16.4932467673       20.8382525297       15.6077453082
  C        17.3320764379       20.6123058755       14.3351366003
  C        16.4544517334       19.6386169474       13.5158498219
  C        16.4591649037       18.4328892832       14.2182963101
  C        17.3409762048       18.6499586977       15.4647000516
  C        18.4002382278       19.6278032440       14.8842829039
  H        14.0493306747       19.7484330203       11.4311241147
  H        12.7196677705       22.1913852876       12.7158071285
  H        14.4171320480       21.7157495604       12.8856050937
  H        14.1118700597       23.4556272859       11.0900972545
  H        14.7449746659       21.9448886616       10.4394116334
  H        12.9555275071       22.7806128846        8.9495001210
  H        11.8324380758       22.8923573359       10.3000950778
  H        11.3570311824       20.8361468227        9.0276645163
  H        13.0493113589       20.3338438866        9.1195401482
  H        11.7107186509       19.0669485322       10.7720848429
  H        11.0948042595       20.5576491009       11.4731273250
  H        11.7310798973       17.4169893352       12.4668567941
  H        13.6478957817       17.6247347803       10.9481934975
  H        14.7852491780       17.2507769619       12.2417974933
  H        12.7286057831       15.3396634470       11.0099375058
  H        14.4818929722       15.2850810452       10.8253996707
  H        13.7048725835       13.6036698792       12.5005457800
  H        14.7432726734       14.7863561853       13.2638765046
  H        11.6723532450       14.8331866587       13.3127814285
  H        12.7212498114       14.4371831294       14.6811028004
  H        11.9219860608       16.7863228934       14.8275580844
  H        13.6782201330       16.6965372368       14.7224858522
  H        10.5592158306       19.1324392131       13.8578436252
  H        11.2105997579       20.7744952904       13.9566794977
  H        10.6404671013       20.2091222382       16.2648533967
  H        11.2922483516       18.5742559140       16.1063557422
  H        11.9135183551       21.9850280353       17.5102101678
  H        13.8940575803       21.7586297025       18.9331077738
  H        14.9812158246       21.9815356118       17.5822306140
  H        13.1416662888       24.0934810259       18.8335614894
  H        14.8952113548       24.0453627334       18.9076484048
  H        14.1277697506       25.6983510208       17.2104899971
  H        15.0134649339       24.4006058505       16.4170778477
  H        12.9054784455       24.8621143428       15.1527275638
  H        11.9602848279       24.5700176817       16.6204803532
  H        11.9770712575       22.5612458143       15.1464245706
  H        13.7406602841       22.5549612955       15.1278379256
  H        14.2544880724       19.6071398686       18.4719496256
  H        12.7149213000       17.2034506497       17.3532810329
  H        14.4067063725       17.5807511101       17.0188092510
  H        14.1916091127       15.8912357362       18.8757165285
  H        14.9580006810       17.3706129329       19.4399764447
  H        12.0097480170       16.5938538136       19.8495148866
  H        13.2614949802       16.6423279164       21.0865943933
  H        11.7702405517       18.6729043152       21.1266093700
  H        13.4674977288       19.1023213136       20.8449007953
  H        11.2726831625       18.9241429307       18.7139420600
  H        12.0413160568       20.4018945149       19.3056036428
  H        16.2414227072       19.4764621449       17.3519908478
  H        16.2288665208       21.8196124067       15.9912437723
  H        17.6713001315       21.5115154348       13.8186819698
  H        16.1752329461       19.7893419052       12.4769737997
  H        16.1734441406       17.4516683551       13.8476249630
  H        17.6745989217       17.7419803471       15.9714364330
  H        19.0074423731       19.1765852298       14.0937987845
  H        19.0453073763       20.0802594342       15.6457611173
 Rh         5.9421845788       10.0579590780       15.0127760156
  P         4.1656262076        9.6536928428       13.5865622897
  C         3.8124095924        7.8918180301       13.0987715604
  C         3.8470809811        6.9922146801       14.3500093851
  C         3.7785578279        5.4988137842       13.9951060298
  C         4.8835476471        5.1068800052       13.0129440698
  C         4.7579745036        5.9305371211       11.7307909734
  C         4.8212068720        7.4369824758       12.0289722575
  C         2.5761232953       10.2453399202       14.3589610445
  C         2.6180923391       10.1254534175       15.8902129208
  P         4.3025644945       10.5837881824       16.5472401231
  C         4.1443951125       12.3658108184       17.0509350388
  C         4.1024602518       13.2477204502       15.7807388475
  C         4.1527781467       14.7506074844       16.0948214063
  C         5.3746944211       15.0702894168       16.9643465405
  C         5.3298583032       14.2656128997       18.2682368558
  C         5.2905340837       12.7547733818       18.0079587420
  C         4.5150639154        9.6285067305       18.1166540690
  C         4.7601092725        8.1329114713       17.8418182753
  C         5.0588444488        7.3792979131       19.1432976442
  C         3.9310058325        7.5696925660       20.1661208585
  C         3.3802618250        9.8350164411       19.1310483466
  C         3.6755816917        9.0619186253       20.4294450493
  C         4.3670537568       10.6128355551       12.0118618108
  C         4.7880915986       12.0743382439       12.2705998996
  C         5.1092610990       12.7740619394       10.9379899869
  C         3.9278318580       12.7129854751        9.9591975565
  C         3.4463083796       11.2714789938        9.7473529012
  C         3.1481948232       10.5555293942       11.0786385337
  C         7.7516246053       11.1845411737       15.6505486564
  C         7.5888890985        8.7506988163       14.3104080648
  C         8.4809471920        8.9461539736       15.5530524291
  C         9.5906708905        9.8571196700       14.9580784020
  C         8.5777359340       10.8845463880       14.3852460773
  C         7.6927022647        9.9896549357       16.3747671956
  C         7.6481269691        9.9451269285       13.5875844771
  H         2.7933774290        7.8694409714       12.6739200690
  H         4.7803051031        7.1886094411       14.9021198182
  H         3.0201033571        7.2549293119       15.0256485231
  H         2.8027827150        5.2583612598       13.5501392104
  H         3.8570754124        4.9189730647       14.9217103409
  H         5.8685065787        5.2826463109       13.4701223072
  H         4.8412167975        4.0307141088       12.7898377398
  H         5.5433333814        5.6651130727       11.0108050072
  H         3.8015300026        5.6969538225       11.2428667761
  H         4.6331520665        7.9992664453       11.1094137799
  H         5.8427101502        7.6941183826       12.3509460527
  H         2.4492695945       11.2949170342       14.0587546982
  H         1.7280618526        9.6872956191       13.9380752463
  H         1.8431666724       10.7477123848       16.3605658139
  H         2.4197727872        9.0901886021       16.2018128067
  H         3.1816346172       12.4710686081       17.5776964287
  H         4.9567979440       12.9871246475       15.1369427167
  H         3.1930706035       13.0173465091       15.2063286670
  H         4.1590012224       15.3180800521       15.1493837201
  H         3.2344810687       15.0452204078       16.6220428752
  H         5.4349557182       16.1416895308       17.1953347190
  H         6.3018779269       14.8344143541       16.4183141207
  H         6.1996577826       14.5025881442       18.8942452570
  H         4.4442300872       14.5572231540       18.8514037322
  H         6.2545019874       12.4355423842       17.5872119295
  H         5.1876809405       12.2149988610       18.9603613038
  H         5.4386017812       10.0404051624       18.5536813592
  H         5.5826282631        8.0074308038       17.1221639381
  H         3.8633022405        7.7005726083       17.3798594362
  H         6.0031115774        7.7576517503       19.5640033060
  H         5.2144907616        6.3125647618       18.9243345055
  H         4.1836049794        7.0530321989       21.1016742269
  H         3.0048658653        7.0995046377       19.8049408898
  H         3.2470679867       10.9054706329       19.3394899360
  H         2.4325657323        9.4709666615       18.7105304682
  H         4.5601486565        9.4929311474       20.9242711301
  H         2.8303287833        9.1826461595       21.1208500314
  H         5.2077107848       10.1027986064       11.5107709395
  H         5.6583962422       12.1097587694       12.9473624211
  H         3.9754905144       12.6102011820       12.7852519320
  H         5.3909722790       13.8194479978       11.1216467066
  H         5.9890790359       12.2938346778       10.4866481079
  H         4.2090778396       13.1598517878        8.9928566464
  H         3.1018590732       13.3208302045       10.3507466324
  H         2.5539851674       11.2569932619        9.1049262208
  H         4.2276403705       10.7089637973        9.2134029864
  H         2.2945576147       11.0364996958       11.5740326284
  H         2.8523652044        9.5168955643       10.8910529595
  H         7.5540380962       12.1879037838       16.0164437654
  H         7.2455159564        7.7835848614       13.9551104590
  H         8.7695511112        8.0378702995       16.0870374912
  H        10.2514856122       10.2828050081       15.7227575698
  H        10.1782454802        9.3701702499       14.1732097312
  H         8.9658902890       11.7480568425       13.8396254059
  H         7.4416668567        9.8750556486       17.4232441768
  H         7.3702633231       10.1020546777       12.5503401637
 Rh        12.5214016569        9.8140557391        4.6331201086
  P        14.2450944396       10.1214787687        6.1876253517
  C        14.4021917255       11.9061884197        6.7017729337
  C        14.8341995131       12.8476796520        5.5608241334
  C        14.8953409078       14.3059878881        6.0527476481
  C        13.5609793443       14.7555331501        6.6573121064
  C        13.1537036607       13.8339759040        7.8136830783
  C        13.0807281527       12.3751505453        7.3351799417
  C        15.8893046307        9.6758635412        5.4380902630
  C        15.8419172728        9.8526178473        3.9104143813
  P        14.1802647353        9.4071667053        3.2013998719
  C        14.2947064875        7.6089678183        2.7346792780
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  C         6.4211948774        7.8258130003        2.4341518501
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  C         5.7124120281       10.4672721066        2.9136439765
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  F         0.2604197102        5.0681592799        4.3290003988
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  F        10.0098382554       16.5640524388       17.8936396897
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  F         7.6913080458       24.3582748591       16.5007946317
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  C        15.5249459510       -0.7494745915        1.6749911406
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  F        14.5012404637       -4.0550278326        2.4937701995
  F        16.4263016338       -3.4526581418        3.3684650028
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  C        11.1723837402        1.6233483850        3.5561476572
  C        10.1977888996        2.5923953114        3.2935918710
  C         9.7827730659        3.4799567493        4.2954692092
  C        10.3616089588        3.3626734406        5.5634823562
  C        11.3288828906        2.3810367087        5.8175309095
  C         9.9859196730        4.3093742281        6.6749920694
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  F         9.1972471759        5.3387645601        6.2354780881
  F         9.3068825866        3.6803844798        7.6950963937
  C         9.6420230076        2.7477082965        1.9038648153
  F         9.5014156009        1.5440152145        1.2493050067
  F         8.4056614123        3.3420360992        1.9045508029
  F        10.4535512868        3.5258509977        1.1023062221
  C        11.8069747992       -0.9568374426        5.5452070861
  C        11.2456177736       -1.8250860300        4.5886564209
  C        10.3038363101       -2.8030825845        4.9314134708
  C         9.8672480680       -2.9506430843        6.2523250839
  C        10.3919653975       -2.0817365091        7.2135966838
  C        11.3377812470       -1.1096112250        6.8632895566
  C         9.9856424640       -2.1871119383        8.6575395769
  F         9.5886031155       -0.9741645781        9.1665784724
  F         8.9633675846       -3.0585516769        8.8710673112
  F        11.0210443681       -2.6065462526        9.4594458094
  C         9.7541023344       -3.6951159056        3.8533643157
  F         8.8195974540       -4.5652365940        4.3260066398
  F        10.7195899339       -4.4520355153        3.2281564910
  F         9.1414579393       -2.9669941058        2.8557370912
  C        13.8904658399        0.6179593378        6.3324542696
  C        14.3865699545        1.9151199363        6.5553623176
  C        15.3567460439        2.1910875744        7.5311382479
  C        15.8791212370        1.1687375140        8.3199965817
  C        15.4194736766       -0.1330353311        8.0965181746
  C        14.4550031725       -0.4056393178        7.1234157299
  C        16.0238568600       -1.2294858614        8.9206938939
  F        16.0411453779       -0.8753187304       10.2600345193
  F        17.3294725272       -1.4918843239        8.5796882420
  F        15.3714750190       -2.4169549306        8.8031037809
  C        15.9193623539        3.5785138144        7.6432106983
  F        16.4802480550        3.8577203944        8.8616035933
  F        14.9770134656        4.5366726696        7.4065276760
  F        16.8922114074        3.7866653122        6.6802537686
  H        14.0118178313        1.9314588169        3.1370146337
  H        13.8334878977       -2.2146047497        4.2502046798
  H        16.1884499457       -1.0057457511        0.8532248716
  H        11.4807041733        0.9534897154        2.7547807117
  H         9.0408332768        4.2419022344        4.0780482649
  H        11.7568332982        2.3175358106        6.8170990677
  H        11.5461177597       -1.7466862979        3.5445617545
  H         9.1571736067       -3.7276515339        6.5185446107
  H        11.7197696285       -0.4564347026        7.6464297185
  H        14.0083108501        2.7384522291        5.9507158739
  H        16.6351639216        1.3774604384        9.0711041347
  H        14.1362049810       -1.4371775839        6.9819478618
  H        10.7947518471       11.7104432518        4.9679946271
  H        12.3476012792       10.6910366074        3.3824175143
     646
 i =        3, E =         0.0150304108
 Rh         3.6559277748        0.2392953401        4.8370337288
  P         5.4015050489        0.6578944912        6.2939447743
  C         5.2414712236       -0.3099318044        7.8650457315
  C         4.8316714950       -1.7740828608        7.6033155122
  C         4.5086706140       -2.4778634420        8.9303003416
  C         5.6921153634       -2.3951541407        9.9044600497
  C         6.1608354885       -0.9497593887       10.1268591649
  C         6.4563135224       -0.2252668200        8.8045383426
  C         5.6741929398        2.4240995601        6.8081738614
  C         4.6691159304        2.8535472516        7.8989415285
  C         4.7417566148        4.3594609067        8.1921645165
  C         4.5847837857        5.1878887230        6.9168254215
  C         5.6662605909        4.8208648968        5.9014691373
  C         5.5948282541        3.3275788833        5.5546962228
  C         7.0160243279        0.1323867338        5.5123267333
  C         6.9732107367        0.2567764605        3.9798936460
  P         5.3201322704       -0.2479381599        3.2996251142
  C         5.5226328484       -2.0315706393        2.8036363540
  C         4.3908224791       -2.4455351980        1.8402670228
  C         4.3605762630       -3.9566782929        1.5818133756
  C         4.2987999082       -4.7548210773        2.8892765623
  C         5.5075170093       -4.4156740229        3.7692491035
  C         5.5515057420       -2.9063789892        4.0773913921
  C         5.0973042905        0.6888568213        1.7194088804
  C         4.7843814406        2.1825314165        1.9638498793
  C         4.3802652901        2.8541144538        0.6411854316
  C         5.4807968150        2.6920080875       -0.4163042593
  C         5.8549301721        1.2184522649       -0.6337578260
  C         6.2283574765        0.5185136280        0.6857554131
  C         1.9126629584        0.2714615735        3.4825095036
  C         1.9008958997       -0.9427704629        4.1752304806
  C         1.0681146072       -0.7138459844        5.4506739301
  C         1.9551333945        0.2477210665        6.2703417748
  C         1.9612299860        1.4610985838        5.5806703567
  C         1.0823164259        1.2599823959        4.3318019368
  C         0.0139288314        0.2947063165        4.9151798136
  H         4.3911579698        0.1727152682        8.3747802844
  H         5.6481710294       -2.3162533097        7.1031834147
  H         3.9723747925       -1.8074265801        6.9128397439
  H         4.2528176753       -3.5284319090        8.7352328178
  H         3.6226301286       -2.0164062512        9.3922920051
  H         5.4191373785       -2.8455187971       10.8681065966
  H         6.5282884165       -2.9945727060        9.5167638418
  H         7.0646674749       -0.9366459118       10.7534044199
  H         5.3901205163       -0.3862592801       10.6754409435
  H         6.7375879631        0.8175825418        9.0105971329
  H         7.3227770875       -0.7024365698        8.3299955963
  H         6.6921692081        2.4734325875        7.2313895176
  H         4.8582629344        2.2890598742        8.8236686370
  H         3.6461711393        2.6102252295        7.5767039826
  H         5.7084066179        4.5966943636        8.6597837805
  H         3.9635808026        4.6347949246        8.9174245858
  H         4.6283213674        6.2578199058        7.1583272245
  H         3.5881106432        5.0225374135        6.4795893509
  H         6.6551180653        5.0733550141        6.3114283041
  H         5.5519165708        5.4090363379        4.9814451856
  H         6.4006032644        3.0703209876        4.8511936354
  H         4.6491520295        3.1249561026        5.0222754202
  H         7.8474572102        0.7228481008        5.9206004142
  H         7.1829421451       -0.9105904927        5.8198982240
  H         7.7722708606       -0.3281071093        3.5011214872
  H         7.1202394336        1.3056061777        3.6816259241
  H         6.4936501534       -2.1247524570        2.2910056929
  H         4.4835952651       -1.9095906836        0.8851062651
  H         3.4276457543       -2.1403186902        2.2720646324
  H         5.2577911482       -4.2412084681        1.0123759994
  H         3.5042725291       -4.2011968949        0.9395039444
  H         4.2432815930       -5.8288433467        2.6612206901
  H         3.3718815389       -4.5196446082        3.4326197782
  H         5.4861729588       -4.9647421771        4.7236688274
  H         6.4198515328       -4.7229474724        3.2366782847
  H         6.4453301422       -2.6651822685        4.6711605836
  H         4.6860790134       -2.6279784469        4.7026179203
  H         4.1882661341        0.2150144663        1.3142262003
  H         5.6694406765        2.6864888504        2.3826628029
  H         3.9872421657        2.2943505321        2.7162618425
  H         4.1713583073        3.9227039088        0.7945402503
  H         3.4406771098        2.3989426130        0.2898406486
  H         6.3632188354        3.2581561796       -0.0799757435
  H         5.1583461083        3.1366891749       -1.3687642229
  H         6.6800448112        1.1256115670       -1.3570146518
  H         4.9964258493        0.6909880805       -1.0788886295
  H         7.1494918291        0.9653943922        1.0833123466
  H         6.4310640973       -0.5444231406        0.4939304479
  H         2.1671268196        0.4264142233        2.4386899140
  H         2.1517872414       -1.9256343171        3.7855307598
  H         0.7274886654       -1.6114078119        5.9717304973
  H         2.2287299611        0.1029233540        7.3081725546
  H         2.2511289531        2.4317544740        5.9752007134
  H         0.7532892905        2.1717428457        3.8266856048
  H        -0.5711284324        0.7565622630        5.7170761899
  H        -0.6420178696       -0.1316973587        4.1509419501
 Rh        14.7502169575       19.6408790055       14.9490406816
  P        13.0056047658       19.2171620784       13.4838566525
  C        13.1749968181       20.2092669555       11.9281178179
  C        13.5475653199       21.6779982153       12.2095477880
  C        13.8532487471       22.4043393929       10.8922439280
  C        12.6809543370       22.3131965469        9.9082592911
  C        12.2525300644       20.8589308540        9.6663195642
  C        11.9684442641       20.1103179391       10.9808263080
  C        12.7301326862       17.4614172363       12.9210273170
  C        13.7701107166       17.0382879887       11.8647471693
  C        13.6726269081       15.5417614969       11.5286581111
  C        13.7621667791       14.6667276280       12.7817048064
  C        12.6530479254       15.0411742456       13.7659629378
  C        12.7477332103       16.5263683610       14.1499169757
  C        11.3854405418       19.7316248513       14.2636088316
  C        11.4427888109       19.6229709703       15.7971863482
  P        13.0963996890       20.1259417113       16.4854941438
  C        12.8904644028       21.9001704012       17.0048558463
  C        14.0094790698       22.3041626147       17.9861844149
  C        14.0390652056       23.8148934332       18.2613470118
  C        14.0889725926       24.6300744833       16.9678256332
  C        12.8841229581       24.2918499744       16.0907642649
  C        12.8708259182       22.7945123308       15.7497025364
  C        13.3300808435       19.1691316261       18.0582344554
  C        13.6112327361       17.6790443552       17.7770989529
  C        14.0059750210       16.9572311324       19.0742675944
  C        12.9293477231       17.1203875320       20.1540950729
  C        12.5937646743       18.5992661216       20.4014537054
  C        12.2115653891       19.3377913167       19.1026426563
  C        16.4979537393       19.6313492431       16.3096059138
  C        16.4923335471       20.8390467569       15.6075717730
  C        17.3330018502       20.6117546689       14.3364627398
  C        16.4558365762       19.6371287672       13.5163980089
  C        16.4602530438       18.4321663890       14.2203676810
  C        17.3404543608       18.6510232013       15.4675903558
  C        18.4008743750       19.6276324099       14.8863947783
  H        14.0489390265       19.7522728210       11.4324109051
  H        12.7210348189       22.1958067329       12.7185661776
  H        14.4184713659       21.7092635872       12.8838653172
  H        14.1113367754       23.4541714698       11.0899827106
  H        14.7399572734       21.9379213499       10.4424502176
  H        12.9564858680       22.7746325158        8.9493645236
  H        11.8307486558       22.8902700248       10.2987918430
  H        11.3605705862       20.8366792143        9.0224397645
  H        13.0508346352       20.3309897498        9.1204696418
  H        11.7089500553       19.0642652291       10.7724106008
  H        11.0929723568       20.5562022711       11.4710564579
  H        11.7279456190       17.4158377599       12.4652534452
  H        13.6450222545       17.6228897433       10.9425214229
  H        14.7816962217       17.2504287668       12.2396191543
  H        12.7229576883       15.3387141617       11.0130239136
  H        14.4773380749       15.2860489863       10.8270894732
  H        13.7114017343       13.6049841450       12.5019816560
  H        14.7428052287       14.7910014008       13.2650894327
  H        11.6716680663       14.8302354814       13.3140047923
  H        12.7255530324       14.4412280749       14.6836598900
  H        11.9194290706       16.7887597991       14.8215473196
  H        13.6762836564       16.6980791185       14.7204023912
  H        10.5562514274       19.1254591065       13.8687484148
  H        11.2007910858       20.7722136711       13.9533687530
  H        10.6452688253       20.2136443216       16.2669037734
  H        11.2979911686       18.5782671009       16.1090210263
  H        11.9114198558       21.9909912117       17.5032209365
  H        13.8914781472       21.7664001578       18.9354164689
  H        14.9792969112       21.9786136847       17.5856664440
  H        13.1422473221       24.1005345271       18.8307894264
  H        14.8933652952       24.0555339162       18.9055240585
  H        14.1263189852       25.7019784806       17.2067713853
  H        15.0098548163       24.4021744623       16.4101598556
  H        12.9054597303       24.8574974867       15.1481255257
  H        11.9602735962       24.5661966178       16.6196387676
  H        11.9880417970       22.5561119375       15.1414476498
  H        13.7526216796       22.5557867890       15.1333916408
  H        14.2519241050       19.6094617068       18.4780429533
  H        12.7115454957       17.2070160947       17.3555106148
  H        14.4034171265       17.5826179598       17.0181972942
  H        14.1937351544       15.8910552189       18.8791524564
  H        14.9580704718       17.3727199474       19.4381922616
  H        12.0100756023       16.5942944120       19.8560178670
  H        13.2697169592       16.6432121425       21.0851799087
  H        11.7708038090       18.6629346756       21.1292622224
  H        13.4664321557       19.1055903293       20.8419085560
  H        11.2686474810       18.9261457139       18.7180383476
  H        12.0432240646       20.4043887580       19.3063175722
  H        16.2292474046       19.4753460507       17.3486379540
  H        16.2264828826       21.8202583566       15.9904889383
  H        17.6755081830       21.5100207259       13.8208522915
  H        16.1787366308       19.7854467522       12.4764447690
  H        16.1772496971       17.4495469784       13.8512599471
  H        17.6695885487       17.7422720543       15.9753183644
  H        19.0057299173       19.1753579901       14.0945991525
  H        19.0493582671       20.0823127871       15.6438344814
 Rh         5.9440430812       10.0566694237       15.0128229478
  P         4.1665864933        9.6506988101       13.5878967228
  C         3.8058665892        7.8901886433       13.0990160672
  C         3.8404748959        6.9901668004       14.3487768910
  C         3.7755231207        5.4972161719       13.9916310386
  C         4.8829699580        5.1058718112       13.0121874076
  C         4.7581582934        5.9287840529       11.7296096869
  C         4.8155380240        7.4354578072       12.0300200571
  C         2.5782968216       10.2440853916       14.3606355378
  C         2.6184007907       10.1240930390       15.8917071302
  P         4.3042551036       10.5841707164       16.5455924180
  C         4.1452453188       12.3665674516       17.0501710349
  C         4.0995212148       13.2491143759       15.7796824692
  C         4.1501841198       14.7524131128       16.0926146222
  C         5.3744660284       15.0691713717       16.9618346141
  C         5.3309866319       14.2654778774       18.2675316730
  C         5.2909649769       12.7541710457       18.0089673061
  C         4.5192317885        9.6307978394       18.1145660338
  C         4.7669101680        8.1357581322       17.8420012922
  C         5.0640000805        7.3821138176       19.1428208325
  C         3.9325032214        7.5701644987       20.1615894313
  C         3.3817397062        9.8357418268       19.1253823244
  C         3.6772475955        9.0628656204       20.4238984727
  C         4.3695376872       10.6110532885       12.0139051970
  C         4.7874261608       12.0736163808       12.2738423371
  C         5.1055070175       12.7739359717       10.9402356322
  C         3.9257834308       12.7094465518        9.9595996122
  C         3.4459410400       11.2676654917        9.7494102958
  C         3.1501116616       10.5508568589       11.0809560109
  C         7.7558182433       11.1863549584       15.6491442267
  C         7.5898252462        8.7481887806       14.3117850334
  C         8.4825984902        8.9453895160       15.5535540347
  C         9.5922682421        9.8554479590       14.9567884695
  C         8.5795802705       10.8820577315       14.3836498119
  C         7.6951747658        9.9915681465       16.3730746491
  C         7.6488087734        9.9423056453       13.5892840524
  H         2.7846027907        7.8714364369       12.6783210640
  H         4.7732497335        7.1874499023       14.9013177495
  H         3.0113901256        7.2517744891       15.0222888108
  H         2.8024835397        5.2545901216       13.5418120083
  H         3.8531380096        4.9174132053       14.9180324263
  H         5.8673390473        5.2855332302       13.4687758229
  H         4.8420142526        4.0284582560       12.7936617066
  H         5.5459219105        5.6649368018       11.0115023280
  H         3.8043850567        5.6935157568       11.2378820442
  H         4.6249080162        7.9985137083       11.1119213793
  H         5.8356033848        7.6963671585       12.3541076967
  H         2.4514631781       11.2938633134       14.0609131602
  H         1.7316909445        9.6847635014       13.9391269358
  H         1.8429549630       10.7470066794       16.3605197888
  H         2.4154795673        9.0899005768       16.2043467450
  H         3.1808162541       12.4697064914       17.5748632879
  H         4.9509240327       12.9898841142       15.1316954042
  H         3.1864798661       13.0163953511       15.2116080193
  H         4.1488127242       15.3212821646       15.1471181451
  H         3.2321758621       15.0440136791       16.6217454985
  H         5.4409643529       16.1398170977       17.1938478881
  H         6.3026392558       14.8304808222       16.4182451174
  H         6.2027109444       14.5047063869       18.8900871775
  H         4.4492250087       14.5579686795       18.8561884797
  H         6.2553777432       12.4332140317       17.5900393574
  H         5.1880045872       12.2131354134       18.9610900089
  H         5.4395487511       10.0453518396       18.5556123930
  H         5.5894870034        8.0067435218       17.1232609541
  H         3.8679640224        7.7052217527       17.3836300404
  H         6.0051675798        7.7650252291       19.5670277499
  H         5.2241192669        6.3163309238       18.9218999478
  H         4.1844724199        7.0525798300       21.0965177071
  H         3.0050022530        7.1001130793       19.8033048303
  H         3.2459554981       10.9073057540       19.3286315423
  H         2.4350752080        9.4668423075       18.7062136718
  H         4.5616736363        9.4911006885       20.9212821593
  H         2.8295528565        9.1817352277       21.1117866208
  H         5.2097426265       10.1010733135       11.5116904989
  H         5.6586985743       12.1129029273       12.9495983542
  H         3.9747008496       12.6065400746       12.7919076120
  H         5.3811811081       13.8209344099       11.1224337750
  H         5.9880212383       12.2976414047       10.4898855324
  H         4.2072978499       13.1534603163        8.9915573499
  H         3.0996683896       13.3180359656       10.3493424479
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 Rh        12.5246776871        9.8088246423        4.6348645519
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  F         7.3412720215       10.8286777064       -0.2901635200
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  C         6.9552008709        8.8236157754        1.6183276783
  C         6.4259544013        7.8274881014        2.4363564082
  C         5.5462798327        8.1505493879        3.4801945944
  C         5.1569012249        9.4777431740        3.7516450640
  C         5.7118277933       10.4693388246        2.9126781234
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  C         2.6117231688        7.8537289395        4.6622954517
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  C         1.9075389026        7.6272300143        7.3246051987
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  F         2.6849139538        7.1618027179        9.5344509157
  F         1.1776802560        8.7339192317        9.3139337736
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  F         0.2595029621        5.0674245296        4.3292210702
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  C         1.1084039149       12.3825392256        1.9171314940
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  F         1.8915721191       13.1570619088        1.0965548976
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  F        11.2160406748        9.0220517436       20.1765794428
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  C        11.4294219139       11.0351954653       18.1867672616
  C        11.8872950925       12.0152586811       17.3066600878
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  C        13.2447842527       10.3811242124       16.0671340307
  C        12.7527045166        9.4015356242       16.9541975829
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  C        15.7691050582       12.0498163856       15.2308606572
  C        16.7036479560       13.0182722998       14.8419517863
  C        17.0939097348       13.1429635634       13.5044523267
  C        16.5200026451       12.2768020928       12.5664459061
  C        15.5795575192       11.3192849714       12.9632519975
  C        16.8596934655       12.3913223236       11.1011372105
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  F        15.7970810628       12.8200468659       10.3401435512
  F        17.2386429103       11.1868076583       10.5598341177
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  F        18.1484321925       14.8391215196       15.4042613343
  F        17.8395400691       13.2549551010       16.9334770631
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  C        12.4695219667       10.6712248460       12.8187644911
  C        11.4932907693       10.4145325711       11.8443252209
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  C        12.5798204700        8.3421212900       13.3388979793
  C        11.0270044924        6.7022788830       12.2290275056
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  F        11.9227665580        5.6933422124       12.4647072846
  F        10.0075365010        6.4988155563       13.1300568980
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  F        10.6303309253       12.6553586221       11.7346312731
  F        11.7564187417       11.8879683051        9.9855317743
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  C        15.8293417268        8.5417998341       16.2970745980
  C        16.7710218471        7.5240017996       16.4741827390
  C        17.0876185526        6.6517495928       15.4318587369
  C        16.4718325052        6.8303342888       14.2032603833
  C        15.5500981394        7.8663821520       14.0140545549
  C        17.4521058296        7.2129927790       17.7725077156
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  F        16.7862163805        6.2469498541       18.4817191217
  F        18.7078126263        6.7186868779       17.5322319020
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  F        10.4806257599       13.7345378815       16.4307036609
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  F        17.3761310397        6.5284205292       12.0257847603
  F        15.6560938161        5.2692557647       12.6087213698
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  H        13.0797902612       12.4783213350       15.5868007628
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  H        10.2783843317        8.9000145631       10.8727797446
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  H        15.6053243919        9.2090360528       17.1267838799
  H        17.7964720651        5.8485060453       15.5918997443
  H        15.1040179760        7.9936587595       13.0300175116
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  F         3.3564657021       17.0859299620       18.6324209620
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  C         4.1243274985       19.0160754613       16.8250659221
  C         4.6611325672       20.0015646686       15.9692948877
  C         4.2567152280       21.3197183430       16.2297197745
  C         3.4076298415       21.6403375965       17.2961842325
  C         2.9090315168       20.6602170445       18.1455282645
  C         2.9103052417       23.0407341568       17.4362669007
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  F         3.9098089866       23.9649733963       17.3061953237
  F         1.9891699323       23.2922378085       16.4318418086
  B         5.5945986649       19.6237602808       14.6706727635
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  C         7.2393633658       18.2639516142       16.2464085579
  C         8.2106523989       17.2907776479       16.4985654706
  C         8.6066474141       16.3962310278       15.5058633660
  C         8.0112548309       16.5119491928       14.2500537061
  C         7.0563310046       17.5053592178       13.9881348308
  C         8.4094547945       15.5841091255       13.1443895892
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  F         9.1122462353       16.2362520413       12.1653556577
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  F        10.0101599341       16.5640867616       17.8936265224
  F         7.9623324701       16.3851190325       18.6969917074
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  C         7.1967355570       21.6869340742       15.2141893332
  C         8.1343185523       22.6645189544       14.8638212805
  C         8.5435975853       22.8241785416       13.5373378324
  C         7.9921229178       21.9786780718       12.5750280485
  C         7.0558669672       20.9997951676       12.9307031862
  C         8.3843985445       22.1122541599       11.1331901906
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  F         9.3735407047       23.0296464055       10.9270545767
  F         7.3268864353       22.5105458038       10.3413146017
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  F         7.6912947484       24.3577770838       16.5008166300
  F         9.2725677598       22.8827702860       16.9403403649
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  C         4.0270494296       17.9819855818       13.2514007208
  C         3.0536764411       17.7160576533       12.2768889785
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  C         2.9894035039       20.0375489565       11.7042151114
  C         3.9594755433       20.3005925322       12.6781913144
  C         2.3885910408       21.1370001568       10.8792707522
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  F         1.0826259330       21.4006863621       11.2201887271
  F         3.0412911126       22.3248135802       10.9968929826
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  F         3.4351730328       15.3726732152       12.3935036437
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  H         4.5937168707       22.1190783482       15.5719531320
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  H         9.3492073521       15.6332136478       15.7185618869
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  H         6.8949864183       21.6013238014       16.2572168593
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  H         4.3958118201       17.1492318744       13.8483426772
  H         1.7915519563       18.4955977065       10.7268584997
  H         4.2872969893       21.3284328599       12.8183662464
  F        15.6868778727        1.2777157735       -0.2925758541
  C        15.7221927934        1.6402268938        1.0388865970
  F        17.0530043153        1.8975947757        1.3170726164
  F        15.0562903618        2.8234620898        1.1668573028
  C        15.1426796327        0.5728305830        1.9183361764
  C        14.2867941531        0.8911538291        2.9806097180
  C        13.7685361259       -0.0936685397        3.8475580210
  C        14.1932830016       -1.4111909037        3.6067839701
  C        15.0437117809       -1.7316942963        2.5385677235
  C        15.5212875657       -0.7503193948        1.6736922657
  C        15.5136311899       -3.1434032330        2.3744616043
  F        16.1154861472       -3.3811442264        1.1740393398
  F        14.5008343695       -4.0546325840        2.4932470764
  F        16.4261119697       -3.4524175735        3.3679744645
  B        12.8203940636        0.2710437520        5.1393730929
  C        11.7708741566        1.4897956462        4.8280564844
  C        11.1710864863        1.6177460060        3.5604488438
  C        10.1971878705        2.5871517204        3.2942933670
  C         9.7805456985        3.4752376771        4.2949811633
  C        10.3575886258        3.3603540063        5.5642292082
  C        11.3252505475        2.3792866937        5.8207339679
  C         9.9842865357        4.3090411316        6.6748202023
  F        11.0985415804        4.8758130435        7.2561756059
  F         9.1966796300        5.3389145171        6.2352035863
  F         9.3063042993        3.6805299525        7.6954342151
  C         9.6422671386        2.7459173495        1.9038562890
  F         9.5008620218        1.5436111764        1.2486438957
  F         8.4057330680        3.3418742267        1.9045819356
  F        10.4529779661        3.5256866431        1.1025619758
  C        11.8081963395       -0.9589394712        5.5456183546
  C        11.2482065750       -1.8280148088        4.5889243170
  C        10.3038035596       -2.8037786393        4.9305037051
  C         9.8644914754       -2.9519711779        6.2500973728
  C        10.3881290657       -2.0826381146        7.2118770599
  C        11.3350560877       -1.1111969956        6.8624231880
  C         9.9843577732       -2.1874314239        8.6566249927
  F         9.5884966710       -0.9741263683        9.1662142458
  F         8.9628121830       -3.0587489703        8.8709713240
  F        11.0207250645       -2.6063411619        9.4585240922
  C         9.7540828423       -3.6953516764        3.8525652842
  F         8.8193573153       -4.5651293650        4.3255303536
  F        10.7193611928       -4.4519852052        3.2275359089
  F         9.1410891001       -2.9668245254        2.8553523744
  C        13.8909684922        0.6162208934        6.3344270656
  C        14.3866405456        1.9138407230        6.5573890193
  C        15.3548491602        2.1915075162        7.5349848753
  C        15.8751675188        1.1686746629        8.3239366321
  C        15.4178148249       -0.1334739060        8.0982616237
  C        14.4554395135       -0.4080003736        7.1239156250
  C        16.0233770971       -1.2294194660        8.9207785154
  F        16.0412009355       -0.8752236550       10.2598357451
  F        17.3290802269       -1.4915425965        8.5789504657
  F        15.3713353215       -2.4169879431        8.8026353941
  C        15.9183954677        3.5792468116        7.6451600376
  F        16.4800734239        3.8584629770        8.8626498568
  F        14.9764227996        4.5373539328        7.4064703946
  F        16.8913061711        3.7866899152        6.6808517555
  H        14.0142845586        1.9335555584        3.1358619529
  H        13.8298229623       -2.2081794667        4.2561385652
  H        16.1807929446       -1.0099034282        0.8493195048
  H        11.4859023394        0.9472049315        2.7626634124
  H         9.0390437141        4.2360607838        4.0705612146
  H        11.7565002167        2.3194735138        6.8190107682
  H        11.5518129106       -1.7544421970        3.5455079705
  H         9.1580407983       -3.7338924934        6.5123413044
  H        11.7169993771       -0.4606367108        7.6477376108
  H        14.0087277954        2.7353554260        5.9506685372
  H        16.6317190942        1.3756395829        9.0749917788
  H        14.1397371257       -1.4407402719        6.9815818219
  H        10.7933664981       11.7148104439        4.9603737503
  H        12.3414253237       10.6873436050        3.3870725716
     646
 i =        4, E =         0.0180645656
 Rh         3.6538200858        0.2412885137        4.8358640369
  P         5.3995551137        0.6568020801        6.2931772299
  C         5.2441569838       -0.3092336925        7.8656874738
  C         4.8296368754       -1.7722179433        7.6041356755
  C         4.5072309428       -2.4752843864        8.9314223559
  C         5.6914449994       -2.3892066131        9.9045537257
  C         6.1615331793       -0.9445016358       10.1276285236
  C         6.4593841822       -0.2223606315        8.8053904497
  C         5.6729205295        2.4223328893        6.8069523780
  C         4.6694880077        2.8510870787        7.8999287951
  C         4.7386554291        4.3574432247        8.1908541135
  C         4.5830792182        5.1840888770        6.9145833205
  C         5.6686037830        4.8196452039        5.9035378536
  C         5.5937159977        3.3273650719        5.5540179631
  C         7.0136164874        0.1300987785        5.5101616453
  C         6.9702882327        0.2550357712        3.9781972131
  P         5.3193117511       -0.2480759920        3.2975343361
  C         5.5222890896       -2.0321658110        2.8008621483
  C         4.3894919006       -2.4463661176        1.8388041812
  C         4.3618579705       -3.9568965917        1.5766924907
  C         4.2963847788       -4.7560172160        2.8840034179
  C         5.5027861337       -4.4165331727        3.7678387920
  C         5.5475729305       -2.9059605787        4.0752081051
  C         5.1024782549        0.6903743100        1.7185030927
  C         4.7890362069        2.1851601432        1.9630809078
  C         4.3808123475        2.8533565333        0.6398574959
  C         5.4800971239        2.6893290335       -0.4182703175
  C         5.8585222230        1.2171902859       -0.6352526250
  C         6.2349267886        0.5201875588        0.6846581796
  C         1.9129896070        0.2714032153        3.4821512655
  C         1.9011609986       -0.9448314219        4.1719160236
  C         1.0674270449       -0.7188864580        5.4468422610
  C         1.9517956221        0.2434609868        6.2686248416
  C         1.9557411492        1.4587833428        5.5821576017
  C         1.0799010082        1.2573567316        4.3313851901
  C         0.0125740755        0.2909958188        4.9145879745
  H         4.3956178398        0.1726088192        8.3791363756
  H         5.6421770702       -2.3201303266        7.1038244546
  H         3.9704997701       -1.8015582466        6.9127511087
  H         4.2573496974       -3.5270230336        8.7347914711
  H         3.6201585190       -2.0185938923        9.3963639624
  H         5.4200748225       -2.8383320882       10.8687830228
  H         6.5278123439       -2.9884213106        9.5166370079
  H         7.0658817238       -0.9344674273       10.7536048036
  H         5.3942267482       -0.3766659693       10.6767013677
  H         6.7403014770        0.8207270312        9.0128386908
  H         7.3271203397       -0.7021602209        8.3361780864
  H         6.6913963094        2.4671394275        7.2298880766
  H         4.8633279798        2.2877266967        8.8247495667
  H         3.6462484161        2.6067909374        7.5793023551
  H         5.7036585487        4.5969379440        8.6607556429
  H         3.9569714746        4.6352042373        8.9113430273
  H         4.6238975854        6.2538757607        7.1558024411
  H         3.5874522020        5.0170577046        6.4749039426
  H         6.6554863606        5.0698546252        6.3200790888
  H         5.5597817917        5.4122840712        4.9857395063
  H         6.3973098673        3.0688284790        4.8486576926
  H         4.6463265434        3.1296263569        5.0221348968
  H         7.8454664831        0.7226286697        5.9137743216
  H         7.1812589638       -0.9119732026        5.8205479098
  H         7.7689225723       -0.3279304036        3.4962904466
  H         7.1154922261        1.3050152720        3.6822504212
  H         6.4946179645       -2.1259348610        2.2911718809
  H         4.4745254930       -1.9064366288        0.8852287935
  H         3.4286291329       -2.1464672187        2.2792599584
  H         5.2597381976       -4.2379671525        1.0063955289
  H         3.5079311524       -4.2034695848        0.9319320388
  H         4.2380152552       -5.8293984800        2.6531316430
  H         3.3684867334       -4.5206686260        3.4253157900
  H         5.4810279874       -4.9637362329        4.7235029434
  H         6.4134840704       -4.7256811987        3.2337918877
  H         6.4393091034       -2.6628251551        4.6713439531
  H         4.6813162000       -2.6226817206        4.6975319166
  H         4.1951379023        0.2126402952        1.3145717112
  H         5.6748151327        2.6896123578        2.3803696303
  H         3.9940187566        2.3001512533        2.7172975150
  H         4.1748183546        3.9237413333        0.7859209096
  H         3.4392472999        2.3970120719        0.2954684523
  H         6.3586088238        3.2599128401       -0.0787944798
  H         5.1561703921        3.1307967385       -1.3714046297
  H         6.6798426566        1.1244550795       -1.3633480833
  H         5.0001081174        0.6864718596       -1.0761378893
  H         7.1542863741        0.9714734725        1.0812785439
  H         6.4391465929       -0.5424620614        0.4922550767
  H         2.1731688465        0.4299154868        2.4407205976
  H         2.1535739742       -1.9263217707        3.7799240959
  H         0.7283744320       -1.6174647389        5.9674299265
  H         2.2220376123        0.1020413839        7.3072237891
  H         2.2386279829        2.4283947686        5.9841126436
  H         0.7507552857        2.1691680761        3.8264375293
  H        -0.5666080169        0.7529936232        5.7208057463
  H        -0.6471352106       -0.1317369427        4.1519177531
 Rh        14.7499878609       19.6404687851       14.9483828720
  P        13.0028723054       19.2175693746       13.4832796169
  C        13.1717470146       20.2097405072       11.9284608867
  C        13.5453919875       21.6779081807       12.2112859744
  C        13.8509395815       22.4026462152       10.8937871697
  C        12.6799764941       22.3104507634        9.9089066335
  C        12.2528212319       20.8562039025        9.6656475910
  C        11.9664560796       20.1081860173       10.9796979691
  C        12.7273823314       17.4625594062       12.9180008760
  C        13.7664350178       17.0393730664       11.8616201652
  C        13.6682241635       15.5422698783       11.5293875844
  C        13.7622108127       14.6684560473       12.7827683722
  C        12.6526280677       15.0413015263       13.7664464921
  C        12.7461464849       16.5275592427       14.1466993867
  C        11.3826094939       19.7312537238       14.2649993669
  C        11.4461062427       19.6269908063       15.7985999167
  P        13.0986708167       20.1282164826       16.4873543668
  C        12.8918636873       21.9025736565       17.0050943538
  C        14.0088558467       22.3085666272       17.9876306561
  C        14.0393584952       23.8204674924       18.2586026512
  C        14.0880821386       24.6335120244       16.9639333437
  C        12.8841533496       24.2911996141       16.0880914359
  C        12.8778681234       22.7937042919       15.7486473800
  C        13.3287739205       19.1706961350       18.0609136586
  C        13.6094666113       17.6805755642       17.7779571985
  C        14.0063035956       16.9576998403       19.0736592967
  C        12.9319163415       17.1208181634       20.1547172733
  C        12.5933893291       18.5988376462       20.4023293976
  C        12.2089006493       19.3389623652       19.1045588734
  C        16.4954682525       19.6323642349       16.3097028372
  C        16.4913895606       20.8398814939       15.6073594577
  C        17.3339946346       20.6112511379       14.3377805077
  C        16.4573470622       19.6354920725       13.5171842489
  C        16.4614289972       18.4315583628       14.2224760501
  C        17.3398599851       18.6519384109       15.4706330462
  C        18.4014493716       19.6273453960       14.8885544193
  H        14.0483187649       19.7559132105       11.4337541121
  H        12.7224170063       22.1999515427       12.7218649565
  H        14.4195332057       21.7030488030       12.8822489931
  H        14.1109126209       23.4524670656       11.0897318460
  H        14.7353836822       21.9310211693       10.4453225830
  H        12.9575296136       22.7689315538        8.9492284838
  H        11.8289654735       22.8880098484       10.2972615967
  H        11.3639984932       20.8367624056        9.0173303947
  H        13.0525083561       20.3281319778        9.1215499709
  H        11.7072474752       19.0616105421       10.7727588401
  H        11.0908191612       20.5547040191       11.4688834487
  H        11.7246746665       17.4149396002       12.4635143604
  H        13.6420388432       17.6210547080       10.9371031882
  H        14.7780568271       17.2503220267       12.2371296659
  H        12.7173278507       15.3376830377       11.0162698662
  H        14.4726787186       15.2867949741       10.8281692474
  H        13.7177550195       13.6063114500       12.5035095951
  H        14.7423765416       14.7962102996       13.2662949842
  H        11.6712131360       14.8271008172       13.3156269164
  H        12.7296306060       14.4453075613       14.6862587110
  H        11.9166287730       16.7912431952       14.8157983023
  H        13.6741460345       16.6998099040       14.7181371142
  H        10.5535023434       19.1183927501       13.8796836509
  H        11.1906986647       20.7695244287       13.9500848093
  H        10.6499343261       20.2183256287       16.2692977860
  H        11.3036540599       18.5823892981       16.1119006144
  H        11.9095045205       21.9969136192       17.4964215272
  H        13.8885670801       21.7743717251       18.9382399433
  H        14.9774450684       21.9763114942       17.5893874477
  H        13.1426786079       24.1077083019       18.8276785867
  H        14.8918347065       24.0657000700       18.9031908852
  H        14.1248687939       25.7056272533       17.2024886967
  H        15.0066773376       24.4041476549       16.4033373746
  H        12.9050367106       24.8532554451       15.1434278745
  H        11.9600343896       24.5623141280       16.6182120538
  H        11.9995265063       22.5508205090       15.1358943608
  H        13.7650267022       22.5567329771       15.1389936088
  H        14.2490754424       19.6116027669       18.4841610711
  H        12.7081106390       17.2106069794       17.3578226843
  H        14.4000033970       17.5845553735       17.0174372549
  H        14.1958024105       15.8910854535       18.8821363223
  H        14.9581534412       17.3749264254       19.4363980945
  H        12.0108803857       16.5944379397       19.8624903480
  H        13.2779131008       16.6443713650       21.0840704277
  H        11.7714943119       18.6536166863       21.1319307932
  H        13.4653051435       19.1088504348       20.8395428240
  H        11.2646690428       18.9285492825       18.7219687188
  H        12.0447718654       20.4065317021       19.3074097902
  H        16.2170741968       19.4743298559       17.3453591276
  H        16.2240297299       21.8209198266       15.9895685879
  H        17.6796607383       21.5086357706       13.8228871837
  H        16.1824212659       19.7814827120       12.4759330020
  H        16.1810779012       17.4474302433       13.8549335565
  H        17.6648110366       17.7426040689       15.9795679680
  H        19.0040021733       19.1739678360       14.0955209564
  H        19.0531585513       20.0841162365       15.6420542116
 Rh         5.9457896756       10.0556661363       15.0128785343
  P         4.1676166105        9.6477442684       13.5894324054
  C         3.7993128816        7.8885566045       13.0992795511
  C         3.8335853584        6.9879568478       14.3475572204
  C         3.7723265911        5.4954542842       13.9880949948
  C         4.8823936894        5.1050011173       13.0114739102
  C         4.7581738054        5.9270346963       11.7283580946
  C         4.8094914198        7.4339042094       12.0308639359
  C         2.5803442332       10.2427570578       14.3622867931
  C         2.6186673214       10.1227791063       15.8932183797
  P         4.3060233285       10.5845658227       16.5439226062
  C         4.1460734888       12.3672740167       17.0492672593
  C         4.0964751938       13.2503909768       15.7785725775
  C         4.1474672449       14.7540513074       16.0908407850
  C         5.3741744760       15.0681133344       16.9594416884
  C         5.3322220727       14.2654067845       18.2667841977
  C         5.2913699137       12.7536502992       18.0097919779
  C         4.5236974825        9.6331480179       18.1125769064
  C         4.7737400783        8.1386089759       17.8418784920
  C         5.0691888396        7.3851568154       19.1423023197
  C         3.9340451356        7.5706345261       20.1571518939
  C         3.3833642496        9.8362253180       19.1197658979
  C         3.6787247678        9.0637657008       20.4185411174
  C         4.3719204368       10.6092280586       12.0160249454
  C         4.7866919605       12.0728272024       12.2769678232
  C         5.1016436865       12.7740555258       10.9425547520
  C         3.9235565563       12.7057598679        9.9601566322
  C         3.4457372547       11.2635100756        9.7515087206
  C         3.1520387201       10.5459371631       11.0833506535
  C         7.7602008560       11.1886740869       15.6475801253
  C         7.5907349602        8.7452699103       14.3132745729
  C         8.4842934846        8.9447069810       15.5540476732
  C         9.5939235385        9.8536607293       14.9553353308
  C         8.5816553816       10.8795423428       14.3818606087
  C         7.6976412283        9.9932275197       16.3719138215
  C         7.6495749507        9.9397646132       13.5904732512
  H         2.7760920196        7.8735042693       12.6824879327
  H         4.7656637476        7.1861690496       14.9007312307
  H         3.0024619038        7.2482520324       15.0190283917
  H         2.8019956017        5.2507728726       13.5334696897
  H         3.8487585571        4.9155415436       14.9143230399
  H         5.8661922745        5.2883832990       13.4677181903
  H         4.8430257814        4.0264361643       12.7972808951
  H         5.5486717177        5.6651124201       11.0123676706
  H         3.8071107606        5.6897825684       11.2327632470
  H         4.6166997694        7.9977085231       11.1140281854
  H         5.8280399588        7.6986026368       12.3571503872
  H         2.4536997652       11.2926431117       14.0630524156
  H         1.7351597586        9.6822931992       13.9401229446
  H         1.8429550380       10.7465659796       16.3604771685
  H         2.4116089227        9.0896630721       16.2068690730
  H         3.1802990230       12.4683896473       17.5721756027
  H         4.9447296297       12.9925245274       15.1262645138
  H         3.1798458591       13.0156714313       15.2168530857
  H         4.1389559335       15.3241766704       15.1454234970
  H         3.2299411379       15.0430723706       16.6218872834
  H         5.4467992066       16.1380715240       17.1920793249
  H         6.3028664979       14.8262875697       16.4177523646
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  F        11.2162454098        9.0220491972       20.1763655794
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  C        13.2455740525       10.3830140619       16.0698455304
  C        12.7537005483        9.4032476723       16.9570549954
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  C        15.7702852317       12.0478803858       15.2343939373
  C        16.7034490683       13.0173100495       14.8436558559
  C        17.0930527183       13.1411002612       13.5061409286
  C        16.5192705945       12.2756631135       12.5677928912
  C        15.5778035969       11.3191230598       12.9656488335
  C        16.8585348322       12.3908292357       11.1016262278
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  F        15.7956721360       12.8199414886       10.3404194662
  F        17.2382319112       11.1870366837       10.5593971966
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  F        18.1482708292       14.8392503170       15.4037504309
  F        17.8397571641       13.2552531462       16.9334143776
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  C        12.4708384457       10.6699681766       12.8190705850
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  C        12.5829812911        8.3405238751       13.3348503295
  C        11.0269705020        6.7025802288       12.2283927765
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  F        11.9227639428        5.6935769160       12.4643233540
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  F        11.7562898304       11.8882469763        9.9851239720
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  C        15.8301855308        8.5447382363       16.2980517511
  C        16.7718005089        7.5258394797       16.4745829701
  C        17.0871955596        6.6546706496       15.4318196430
  C        16.4726408446        6.8318720692       14.2037641379
  C        15.5493881392        7.8685680388       14.0152304002
  C        17.4524854948        7.2148281703       17.7724753316
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  F        16.7867171697        6.2476995617       18.4810965372
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  F        10.4805514569       13.7346808653       16.4305708012
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  H        17.7966210062        5.8512591724       15.5948008018
  H        15.1019501634        7.9973309572       13.0325615977
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  F         3.3564699931       17.0867098276       18.6325781664
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  C         4.6612658486       20.0022910289       15.9695620882
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  C         2.9113519637       23.0414990186       17.4365786025
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  F         3.9099650099       23.9658074536       17.3065551335
  F         1.9892616480       23.2920294922       16.4325199627
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  C         7.2436083570       18.2676651722       16.2450639501
  C         8.2139749517       17.2933767225       16.4969574730
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  F         9.2138052248       14.5625843482       13.5676563401
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  F        10.0104723546       16.5641088988       17.8935879472
  F         7.9627812932       16.3856132652       18.6961994577
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  F         9.3730796180       23.0297933666       10.9272405932
  F         7.3264825776       22.5105041764       10.3419434620
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  F         7.6912697235       24.3573077985       16.5008426190
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  C         4.0293697502       17.9800776964       13.2520708494
  C         3.0555237823       17.7148712310       12.2774231350
  C         2.5348259678       18.7312888291       11.4854766209
  C         2.9900015762       20.0359163404       11.7033038854
  C         3.9616696782       20.2986585139       12.6770961659
  C         2.3885291492       21.1364490307       10.8794334774
  F         2.3712186040       20.7838025935        9.5398438464
  F         1.0824975336       21.4004173465       11.2207918134
  F         3.0408611149       22.3246091520       10.9973585452
  C         2.4921234764       16.3299246919       12.1616768638
  F         1.9320162824       16.0524237802       10.9422120824
  F         3.4350314850       15.3720650365       12.3938063617
  F         1.5195288581       16.1216870209       13.1213901577
  H         4.3801550367       17.9738856795       16.6693410492
  H         4.5922068163       22.1179139811       15.5677846047
  H         2.2450017008       20.9378732466       18.9607332008
  H         6.9611030898       18.9318634827       17.0583112478
  H         9.3490901931       15.6350759158       15.7205298660
  H         6.6378978055       17.6007202962       12.9830544567
  H         6.8911989360       21.6008051879       16.2577614345
  H         9.2546289306       23.5979215645       13.2712598153
  H         6.6537249591       20.3501602911       12.1554992427
  H         4.3968812328       17.1459699512       13.8477326239
  H         1.7975714436       18.4861461766       10.7253410971
  H         4.2910784299       21.3260114082       12.8158013605
  F        15.6862078340        1.2780536028       -0.2934811310
  C        15.7214557690        1.6402261658        1.0376841500
  F        17.0522194002        1.8979173620        1.3163463487
  F        15.0556614334        2.8236967189        1.1661966788
  C        15.1417747003        0.5730333504        1.9173828827
  C        14.2892402817        0.8930371777        2.9816617177
  C        13.7714553043       -0.0902701691        3.8504948401
  C        14.1956266136       -1.4083210868        3.6113398673
  C        15.0430600345       -1.7309206883        2.5413117035
  C        15.5177777961       -0.7513259376        1.6724355826
  C        15.5129909844       -3.1427674704        2.3749470410
  F        16.1147429920       -3.3804372752        1.1738139216
  F        14.5003755810       -4.0542560383        2.4927367378
  F        16.4258626748       -3.4521638571        3.3675011340
  B        12.8210726422        0.2705695556        5.1420491845
  C        11.7682557334        1.4868521489        4.8330088379
  C        11.1697099011        1.6123714331        3.5645292208
  C        10.1967693717        2.5815786511        3.2949814197
  C         9.7780465683        3.4706683245        4.2944203563
  C        10.3539409645        3.3578876770        5.5651064563
  C        11.3215823718        2.3777054983        5.8238750817
  C         9.9826430278        4.3087460287        6.6745805105
  F        11.0978060673        4.8756574240        7.2554862592
  F         9.1961186712        5.3390895913        6.2349257541
  F         9.3057650734        3.6806880643        7.6956959290
  C         9.6424119244        2.7441165974        1.9039209264
  F         9.5002912769        1.5432255183        1.2480060048
  F         8.4057287496        3.3417357856        1.9045986332
  F        10.4523822063        3.5255146229        1.1028223886
  C        11.8093627234       -0.9612424018        5.5459424370
  C        11.2507653533       -1.8311143145        4.5891704551
  C        10.3038635214       -2.8045429066        4.9295166847
  C         9.8618797794       -2.9534873572        6.2479665621
  C        10.3845105754       -2.0837377898        7.2102770759
  C        11.3324503162       -1.1129246916        6.8616431866
  C         9.9831345393       -2.1878409563        8.6557753209
  F         9.5883796316       -0.9741142081        9.1658317144
  F         8.9622048918       -3.0589676945        8.8708850846
  F        11.0203904763       -2.6061373068        9.4576206125
  C         9.7540088413       -3.6956264031        3.8518167594
  F         8.8190883762       -4.5650260073        4.3250272395
  F        10.7191054721       -4.4519449720        3.2269035448
  F         9.1406871543       -2.9666482724        2.8549567601
  C        13.8911314119        0.6146877002        6.3364548614
  C        14.3865987688        1.9122653920        6.5597287370
  C        15.3527475783        2.1920419375        7.5382198576
  C        15.8716910744        1.1682922968        8.3282839383
  C        15.4161361848       -0.1338694701        8.0999272978
  C        14.4561261170       -0.4103845654        7.1248922259
  C        16.0230943646       -1.2294259296        8.9210185963
  F        16.0412682678       -0.8751471377       10.2597027900
  F        17.3287492361       -1.4912123154        8.5782202363
  F        15.3712339446       -2.4170285924        8.8021515440
  C        15.9175315334        3.5796592228        7.6467728759
  F        16.4799548358        3.8591467314        8.8633422015
  F        14.9758548248        4.5379330540        7.4063206615
  F        16.8904479143        3.7867205468        6.6812292829
  H        14.0168942829        1.9359107973        3.1348232032
  H        13.8268234232       -2.2017923399        4.2621166078
  H        16.1726886915       -1.0139638716        0.8455069385
  H        11.4908437589        0.9406198705        2.7703619183
  H         9.0373415411        4.2300596800        4.0635497326
  H        11.7558913213        2.3215370476        6.8212368864
  H        11.5578109563       -1.7622143506        3.5464878131
  H         9.1588116063       -3.7397667393        6.5063373797
  H        11.7141183874       -0.4647441152        7.6490105011
  H        14.0090565623        2.7325565874        5.9505040136
  H        16.6280285542        1.3738791735        9.0792222001
  H        14.1433106339       -1.4440585886        6.9811444901
  H        10.7915613989       11.7191780903        4.9527041789
  H        12.3348398699       10.6834099394        3.3916036211
     646
 i =        5, E =         0.0205844258
 Rh         3.6517336925        0.2431552296        4.8347537056
  P         5.3976300315        0.6557048255        6.2923878046
  C         5.2468304017       -0.3085067482        7.8663499714
  C         4.8276210006       -1.7703089974        7.6050357593
  C         4.5058410936       -2.4726938763        8.9326177001
  C         5.6907627548       -2.3832239088        9.9047800787
  C         6.1622559233       -0.9392056482       10.1284560272
  C         6.4624864400       -0.2194623336        8.8061975695
  C         5.6716710254        2.4205746893        6.8056987513
  C         4.6698433459        2.8486430086        7.9008516404
  C         4.7354819537        4.3554575838        8.1895647934
  C         4.5813514566        5.1803747641        6.9123325387
  C         5.6709772814        4.8184225413        5.9056333722
  C         5.5926643727        3.3271448243        5.5533236442
  C         7.0112639917        0.1278421503        5.5080249909
  C         6.9673907166        0.2533024008        3.9765322046
  P         5.3184762787       -0.2482156963        3.2954668315
  C         5.5218991568       -2.0327265012        2.7980521265
  C         4.3881037489       -2.4471904460        1.8373480905
  C         4.3631216413       -3.9570653733        1.5715273009
  C         4.2939116320       -4.7571338126        2.8786353231
  C         5.4979529831       -4.4173268886        3.7663231556
  C         5.5435544573       -2.9055655533        4.0729230141
  C         5.1076705043        0.6919053003        1.7176094796
  C         4.7937470171        2.1877625198        1.9622920514
  C         4.3813678917        2.8525583548        0.6385066614
  C         5.4793597614        2.6866491324       -0.4203528798
  C         5.8620374739        1.2158830271       -0.6367429429
  C         6.2415108744        0.5219233070        0.6836204568
  C         1.9132226694        0.2712310824        3.4818851467
  C         1.9013941381       -0.9466309276        4.1685177830
  C         1.0667660730       -0.7239659407        5.4429973775
  C         1.9485150587        0.2393103733        6.2667389868
  C         1.9503329436        1.4561277587        5.5836958140
  C         1.0774523355        1.2547837563        4.3309440513
  C         0.0112045222        0.2872334906        4.9139844441
  H         4.4000767744        0.1726005489        8.3834063318
  H         5.6361835828       -2.3238774783        7.1044578303
  H         3.9686047882       -1.7956051838        6.9128755878
  H         4.2618413753       -3.5255885195        8.7344845214
  H         3.6176519712       -2.0207790034        9.4002829319
  H         5.4209555719       -2.8311747384       10.8695901443
  H         6.5273257197       -2.9821272648        9.5165419319
  H         7.0671506328       -0.9322288821       10.7538495055
  H         5.3982654357       -0.3670865905       10.6779707733
  H         6.7430340610        0.8238417002        9.0148617431
  H         7.3315173572       -0.7017451642        8.3422212004
  H         6.6905928543        2.4609598580        7.2282847554
  H         4.8683329266        2.2864489105        8.8257426677
  H         3.6463366162        2.6031469316        7.5820133962
  H         5.6987934346        4.5972528051        8.6617703019
  H         3.9502853203        4.6354419114        8.9053428214
  H         4.6193663375        6.2500484258        7.1532913320
  H         3.5868590148        5.0114476794        6.4701013060
  H         6.6558496217        5.0662025684        6.3288280826
  H         5.5678021374        5.4155018815        4.9900280367
  H         6.3940158969        3.0672900547        4.8460836627
  H         4.6435438503        3.1342802708        5.0221131983
  H         7.8434868091        0.7223785589        5.9071032039
  H         7.1795760145       -0.9133201713        5.8211013133
  H         7.7655771640       -0.3277378038        3.4914996134
  H         7.1107066474        1.3043637748        3.6828554117
  H         6.4955201813       -2.1271116199        2.2912279054
  H         4.4653471069       -1.9032314033        0.8853999076
  H         3.4295254864       -2.1526864283        2.2863928921
  H         5.2617631097       -4.2347558963        1.0005598688
  H         3.5115663333       -4.2056087496        0.9242819281
  H         4.2328681841       -5.8299407200        2.6450858836
  H         3.3649323926       -4.5216388867        3.4177881796
  H         5.4757256255       -4.9627567373        4.7231314714
  H         6.4071769228       -4.7283222357        3.2311192044
  H         6.4331936572       -2.6606346997        4.6714653897
  H         4.6764525094       -2.6175761777        4.6923458792
  H         4.2019896687        0.2105363109        1.3146552074
  H         5.6802883004        2.6927375842        2.3778779707
  H         4.0008900153        2.3058494414        2.7183366130
  H         4.1782251335        3.9246686893        0.7774264080
  H         3.4378756469        2.3950865523        0.3010283397
  H         6.3540673910        3.2615756088       -0.0779325843
  H         5.1540108318        3.1249734278       -1.3741096560
  H         6.6796655019        1.1233499968       -1.3695093862
  H         5.0037447195        0.6819039270       -1.0734068045
  H         7.1591737667        0.9774994172        1.0792171654
  H         6.4474279349       -0.5403930245        0.4907744589
  H         2.1792005363        0.4334861650        2.4425857910
  H         2.1553819468       -1.9269793574        3.7742917224
  H         0.7292432319       -1.6235570262        5.9629683726
  H         2.2153144237        0.1009149827        7.3064622342
  H         2.2260088771        2.4250913368        5.9930585604
  H         0.7481048699        2.1665588365        3.8261798856
  H        -0.5621912914        0.7492928473        5.7245106003
  H        -0.6523417504       -0.1318409340        4.1529183225
 Rh        14.7497437483       19.6401805494       14.9476480353
  P        13.0000794212       19.2179290121       13.4826856766
  C        13.1684437236       20.2101932788       11.9288264599
  C        13.5431949941       21.6778046112       12.2130460445
  C        13.8486845034       22.4008737256       10.8952805790
  C        12.6790168456       22.3076948544        9.9094825481
  C        12.2531128789       20.8534479625        9.6649565438
  C        11.9644080493       20.1060859840       10.9785881058
  C        12.7245718156       17.4636624740       12.9149702381
  C        13.7627289702       17.0403806067       11.8585025268
  C        13.6638840297       15.5427207263       11.5300614385
  C        13.7623038299       14.6702131470       12.7838367448
  C        12.6522536718       15.0414654427       13.7669743289
  C        12.7444567305       16.5287721255       14.1435152851
  C        11.3797668673       19.7308206670       14.2664676768
  C        11.4493560854       19.6310382558       15.8001035093
  P        13.1009148716       20.1305161800       16.4892192227
  C        12.8933112765       21.9050090956       17.0053576728
  C        14.0082230668       22.3130299786       17.9892173874
  C        14.0396639970       23.8260943960       18.2558453287
  C        14.0872476970       24.6369509718       16.9599575011
  C        12.8841813958       24.2905365538       16.0852834785
  C        12.8850101925       22.7928903999       15.7475197014
  C        13.3274073413       19.1722485008       18.0635677865
  C        13.6076825964       17.6821163587       17.7788082186
  C        14.0066503953       16.9582167715       19.0730429357
  C        12.9345407040       17.1212458823       20.1554219551
  C        12.5930459128       18.5984205882       20.4032654402
  C        12.2062655540       19.3400896559       19.1065241523
  C        16.4929333278       19.6334339059       16.3096853219
  C        16.4904427730       20.8405959849       15.6071799193
  C        17.3350151612       20.6107460168       14.3391344155
  C        16.4588854821       19.6339341889       13.5178700541
  C        16.4626146974       18.4307955283       14.2246505533
  C        17.3392413004       18.6528249602       15.4737530881
  C        18.4019861165       19.6270200928       14.8907494757
  H        14.0475854037       19.7594676388       11.4351282000
  H        12.7238238744       22.2039675867       12.7253262927
  H        14.4204841808       21.6969418380       12.8806771237
  H        14.1105378671       23.4506731092       11.0894248544
  H        14.7309723926       21.9241538413       10.4481384667
  H        12.9586059456       22.7633394960        8.9490942920
  H        11.8271780014       22.8856721391       10.2956467255
  H        11.3673830898       20.8366618169        9.0122690602
  H        13.0542398893       20.3252627617        9.1226846503
  H        11.7055745759       19.0589781434       10.7731131010
  H        11.0885681640       20.5531735989       11.4666524139
  H        11.7213288785       17.4141371625       12.4617101540
  H        13.6389963672       17.6192337033       10.9317632000
  H        14.7743991251       17.2503077632       12.2345353260
  H        12.7116960533       15.3366052448       11.0195620415
  H        14.4679773562       15.2874436448       10.8290048486
  H        13.7240483529       13.6076381249       12.5050928462
  H        14.7419877573       14.8016239733       13.2674928727
  H        11.6708358863       14.8238942561       13.3173901142
  H        12.7336394232       14.4493881256       14.6888929294
  H        11.9137276455       16.7937361360       14.8101682150
  H        13.6719265717       16.7016355487       14.7158155908
  H        10.5508478157       19.1112819102       13.8906316277
  H        11.1805219583       20.7666384244       13.9468360366
  H        10.6545411024       20.2230610514       16.2718227274
  H        11.3092714209       18.5865614751       16.1148845538
  H        11.9076566934       22.0028198964       17.4897124529
  H        13.8855388255       21.7824384572       18.9412296564
  H        14.9756458331       21.9742421685       17.5932395002
  H        13.1430684983       24.1149348905       18.8244447036
  H        14.8904153074       24.0758582899       18.9007700613
  H        14.1234116785       25.7092795461       17.1979880445
  H        15.0036498798       24.4062730647       16.3965679643
  H        12.9044656780       24.8491496441       15.1387041843
  H        11.9597151945       24.5583942947       16.6165622024
  H        12.0112217576       22.5454586113       15.1301192974
  H        13.7775938491       22.5577243122       15.1446246649
  H        14.2461673187       19.6136849428       18.4902899220
  H        12.7046413746       17.2141852798       17.3601590790
  H        14.3965428623       17.5865151269       17.0166117099
  H        14.1978474674       15.8911988995       18.8849367030
  H        14.9582627771       17.3771714191       19.4345968384
  H        12.0118759247       16.5944616535       19.8689491741
  H        13.2860944433       16.6456365863       21.0830779919
  H        11.7722279051       18.6445683607       21.1346044346
  H        13.4641496109       19.1120887223       20.8374217419
  H        11.2607095818       18.9310729689       18.7258381517
  H        12.0461879259       20.4085629660       19.3086616753
  H        16.2048967151       19.4733376849       17.3422066713
  H        16.2215478082       21.8216067252       15.9885906202
  H        17.6837734878       21.5072582707       13.8248821971
  H        16.1861999418       19.7774740011       12.4755207771
  H        16.1849194032       17.4453731806       13.8586316818
  H        17.6601272326       17.7429565206       15.9839444369
  H        19.0022626255       19.1725116342       14.0965083013
  H        19.0568618416       20.0858139273       15.6403518937
 Rh         5.9475558154       10.0547672138       15.0129295882
  P         4.1686884706        9.6448161881       13.5910678171
  C         3.7927326037        7.8869402639       13.0995555621
  C         3.8265900384        6.9856850850       14.3463502747
  C         3.7690410408        5.4936218290       13.9845708443
  C         4.8818298079        5.1041613681       13.0107827228
  C         4.7581180846        5.9252969305       11.7270896505
  C         4.8033443994        7.4323665560       12.0316255142
  C         2.5823471684       10.2413911997       14.3639381560
  C         2.6189486339       10.1214932418       15.8947287539
  P         4.3078525903       10.5849620130       16.5421958609
  C         4.1469145512       12.3679439252       17.0483110475
  C         4.0933791751       13.2516351595       15.7774852004
  C         4.1447179286       14.7556202933       16.0892225780
  C         5.3738582777       15.0670537197       16.9570608533
  C         5.3335192727       14.2653498293       18.2659927130
  C         5.2917433441       12.7531735801       18.0105185654
  C         4.5282234291        9.6355077774       18.1105763014
  C         4.7805867067        8.1414727824       17.8416842368
  C         5.0744146500        7.3882642759       19.1417758854
  C         3.9356253860        7.5711205332       20.1527330282
  C         3.3850422046        9.8366249981       19.1141535028
  C         3.6801231152        9.0646470708       20.4132306640
  C         4.3742799663       10.6073787818       12.0181840094
  C         4.7859351347       12.0720064020       12.2800673805
  C         5.0977199842       12.7742321667       10.9449170048
  C         3.9212907456       12.7020092946        9.9607646497
  C         3.4456175711       11.2592320431        9.7536545698
  C         3.1539961335       10.5409250327       11.0857729164
  C         7.7646305971       11.1905512737       15.6460787436
  C         7.5916550128        8.7426946014       14.3147117146
  C         8.4859572247        8.9439819460       15.5545891261
  C         9.5956321725        9.8518159467       14.9538378228
  C         8.5837815872       10.8771027731       14.3799906276
  C         7.7001603426        9.9951837669       16.3704496681
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  C         5.1560216717        9.4804790536        3.7501476580
  C         5.7109610548       10.4729709730        2.9110121297
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  F        11.2164406508        9.0220144907       20.1762357706
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  C        11.4241175412       11.0370298908       18.1890531804
  C        11.8852439015       12.0170494324       17.3103269054
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  C        13.2463004160       10.3843573102       16.0725429861
  C        12.7545318560        9.4054807394       16.9600903148
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  C        15.7716370150       12.0459576465       15.2378879022
  C        16.7031573562       13.0161580808       14.8455052006
  C        17.0923369767       13.1394589687       13.5078060467
  C        16.5183614842       12.2743810222       12.5689952602
  C        15.5761544994       11.3191449793       12.9680884461
  C        16.8574487188       12.3904367548       11.1021099384
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  F        15.7942570153       12.8198407653       10.3406866670
  F        17.2378130598       11.1872659350       10.5589631082
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  F        18.1481195117       14.8393743058       15.4032382029
  F        17.8399722090       13.2555312330       16.9333675894
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  C        12.4723104234       10.6687511609       12.8196115741
  C        11.4962461383       10.4149324076       11.8437589732
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  C        11.0269312304        6.7027863931       12.2277762288
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  F        11.9227623855        5.6937652677       12.4639318218
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  F        10.6304939572       12.6556070543       11.7344289672
  F        11.7561497542       11.8885114739        9.9847650023
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  C        15.8315953682        8.5472489694       16.2992537620
  C        16.7720924919        7.5283394510       16.4750414580
  C        17.0875002994        6.6569024547       15.4323807222
  C        16.4727054767        6.8338793197       14.2034805815
  C        15.5491472422        7.8703018469       14.0167305864
  C        17.4529198645        7.2165931271       17.7723570348
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  F        16.7872139252        6.2484877571       18.4805061210
  F        18.7080151800        6.7199695697       17.5314603235
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  F        10.4804580512       13.7348235558       16.4304209217
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  F        17.3759755158        6.5291978988       12.0244637085
  F        15.6561180241        5.2701223347       12.6079614518
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  H        13.0676089016       12.4786674674       15.5852458750
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  H        15.0998448311        8.0010135084       13.0349190285
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  F         3.3564808549       17.0874540734       18.6327457102
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  C         4.1218704483       19.0205670859       16.8283901177
  C         4.6614075778       20.0028323570       15.9699149266
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  C         3.4142167615       21.6445000772       17.2975052867
  C         2.9150087890       20.6684039552       18.1510201240
  C         2.9123935287       23.0422914923       17.4368373858
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  F         3.9101167233       23.9666619364       17.3069279995
  F         1.9893338166       23.2918366847       16.4331892501
  B         5.5964724846       19.6242652990       14.6710114149
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  C         7.2479787653       18.2711165225       16.2437067844
  C         8.2169460808       17.2962963716       16.4956040335
  C         8.6075823759       16.3996778758       15.5038837823
  C         8.0111300376       16.5142107437       14.2479849313
  C         7.0604846365       17.5128325700       13.9844538358
  C         8.4083665471       15.5839985155       13.1439839499
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  F         9.2134617184       14.5626549614       13.5676707595
  F         9.1116552733       16.2362077222       12.1652041096
  C         8.7734404087       17.1514898099       17.8755618839
  F         8.9108500978       18.3703746482       18.4863165112
  F        10.0107890195       16.5641308366       17.8935701218
  F         7.9632181012       16.3861051930       18.6954258285
  C         6.6213475794       20.8321496848       14.2576853651
  C         7.2002317407       21.6813722518       15.2183022788
  C         8.1405628182       22.6567419798       14.8692955640
  C         8.5507791655       22.8168985097       13.5428695872
  C         7.9957221576       21.9762166295       12.5778403773
  C         7.0591948697       20.9977081788       12.9334286017
  C         8.3842425018       22.1121472950       11.1346910959
  F         8.8205701233       20.9008475552       10.6315231868
  F         9.3726227935       23.0299488144       10.9274122618
  F         7.3260795405       22.5104594741       10.3425892032
  C         8.6720616493       23.5852419264       15.9195732150
  F         9.5894467443       24.4636563590       15.4096064414
  F         7.6912424254       24.3568496546       16.5008770716
  F         9.2732409031       22.8826484798       16.9425646753
  C         4.5290714599       19.2754889235       13.4704588976
  C         4.0314575045       17.9780951130       13.2525327924
  C         3.0576690942       17.7135077066       12.2782739199
  C         2.5372831073       18.7289073716       11.4849982853
  C         2.9909702439       20.0344932979       11.7026562980
  C         3.9635876541       20.2965632386       12.6757151529
  C         2.3884686185       21.1357839792       10.8796128706
  F         2.3706639685       20.7837148154        9.5400690221
  F         1.0823799243       21.4001513689       11.2213936279
  F         3.0404254560       22.3243528253       10.9978405777
  C         2.4924967128       16.3294701088       12.1621598405
  F         1.9317896163       16.0523767189       10.9427289368
  F         3.4349224395       15.3714060378       12.3941356607
  F         1.5194903192       16.1216421076       13.1217333173
  H         4.3779611635       17.9756650376       16.6735629342
  H         4.5906806438       22.1167417759       15.5636923297
  H         2.2490772863       20.9475224579       18.9624868783
  H         6.9662482670       18.9341341856       17.0579552303
  H         9.3488675955       15.6369432148       15.7223152154
  H         6.6399011834       17.6100406545       12.9813396646
  H         6.8875068059       21.6002738216       16.2583324376
  H         9.2576956561       23.5957705628       13.2765579456
  H         6.6534475040       20.3497474045       12.1574984281
  H         4.3980686743       17.1427444956       13.8472240716
  H         1.8036624742       18.4769435762       10.7238421201
  H         4.2948923238       21.3236068101       12.8132283418
  F        15.6855281493        1.2783792188       -0.2943663007
  C        15.7206738473        1.6402800746        1.0365448698
  F        17.0514250028        1.8982342424        1.3156109106
  F        15.0550307349        2.8239321156        1.1655251657
  C        15.1410219366        0.5730001559        1.9163673692
  C        14.2915485065        0.8950840810        2.9828352414
  C        13.7742994093       -0.0870289503        3.8533696993
  C        14.1977791400       -1.4053638349        3.6159089897
  C        15.0424567616       -1.7301925402        2.5438549507
  C        15.5141076811       -0.7521348834        1.6714019054
  C        15.5123047353       -3.1421540081        2.3754360276
  F        16.1139700349       -3.3797219699        1.1736015950
  F        14.4998932167       -4.0539026360        2.4922176117
  F        16.4255951620       -3.4519031172        3.3670269801
  B        12.8216905497        0.2700809975        5.1447171675
  C        11.7655961671        1.4839752864        4.8378615946
  C        11.1685628242        1.6068236190        3.5686048966
  C        10.1961423464        2.5762460378        3.2957149419
  C         9.7757909883        3.4658470653        4.2939770892
  C        10.3501268607        3.3556021130        5.5657537678
  C        11.3181416867        2.3759691801        5.8270510613
  C         9.9810664991        4.3084343108        6.6743541373
  F        11.0970599311        4.8755187055        7.2547960436
  F         9.1955507351        5.3392616809        6.2346344618
  F         9.3052043403        3.6808489697        7.6959533518
  C         9.6425369833        2.7422797636        1.9039947424
  F         9.4997030953        1.5428520657        1.2473621449
  F         8.4057380293        3.3415908590        1.9046315033
  F        10.4517650241        3.5253401610        1.1030998867
  C        11.8104952742       -0.9636222457        5.5463069222
  C        11.2533431310       -1.8342742884        4.5893467015
  C        10.3038963922       -2.8053852458        4.9286156961
  C         9.8594067901       -2.9549943129        6.2458039633
  C        10.3809737766       -2.0849429713        7.2086805095
  C        11.3298953284       -1.1147187489        6.8608543230
  C         9.9819206913       -2.1882675696        8.6549436410
  F         9.5882624071       -0.9741154799        9.1654451637
  F         8.9615873601       -3.0591887870        8.8708019260
  F        11.0200684998       -2.6059463082        9.4567442096
  C         9.7539221435       -3.6958877425        3.8510626522
  F         8.8188065829       -4.5649248964        4.3245292665
  F        10.7188338895       -4.4519050435        3.2262768547
  F         9.1402845096       -2.9664823440        2.8545792186
  C        13.8912688160        0.6129128542        6.3386732679
  C        14.3863106406        1.9109089775        6.5618541399
  C        15.3509629030        2.1921869884        7.5417476064
  C        15.8680344103        1.1681962739        8.3322999213
  C        15.4147055416       -0.1342987432        8.1018432649
  C        14.4565887035       -0.4126076219        7.1256785007
  C        16.0228321111       -1.2295088196        8.9212761919
  F        16.0413365854       -0.8750670265       10.2595853654
  F        17.3284326345       -1.4908760870        8.5774950335
  F        15.3711551441       -2.4170518674        8.8016793213
  C        15.9166341309        3.5800683267        7.6481844721
  F        16.4798389417        3.8597650854        8.8639270317
  F        14.9753083225        4.5384791365        7.4061550989
  F        16.8896104997        3.7867447274        6.6815475657
  H        14.0195732694        1.9382806970        3.1338329645
  H        13.8240942137       -2.1954473337        4.2681002166
  H        16.1644978804       -1.0180128652        0.8416454079
  H        11.4956282881        0.9340025993        2.7780418590
  H         9.0355538100        4.2241173625        4.0567033250
  H        11.7551462386        2.3236444379        6.8235203534
  H        11.5638984305       -1.7699922367        3.5475264214
  H         9.1595202321       -3.7455063188        6.5004305645
  H        11.7112037135       -0.4688033706        7.6502624301
  H        14.0094100859        2.7297117971        5.9504142630
  H        16.6243664799        1.3721628332        9.0837063615
  H        14.1469079852       -1.4473107485        6.9807056446
  H        10.7895834218       11.7235353095        4.9450210646
  H        12.3280717872       10.6793460305        3.3960987893
     646
 i =        6, E =         0.0225403612
 Rh         3.6497544517        0.2447108223        4.8337726557
  P         5.3957253955        0.6545824979        6.2915508591
  C         5.2494965125       -0.3077291398        7.8670384091
  C         4.8256758432       -1.7683263714        7.6061322428
  C         4.5045450168       -2.4700896696        8.9339841028
  C         5.6900370686       -2.3771672280        9.9053105564
  C         6.1630196605       -0.9338129184       10.1294215404
  C         6.4656378997       -0.2166200305        8.8069311494
  C         5.6704414060        2.4188565420        6.8043708540
  C         4.6701706386        2.8462618388        7.9016587627
  C         4.7321329049        4.3535743596        8.1883196235
  C         4.5795621269        5.1768509408        6.9100638849
  C         5.6734345931        4.8172432962        5.9077775353
  C         5.5917286810        3.3269502294        5.5526098117
  C         7.0090118811        0.1257060266        5.5059396384
  C         6.9645438045        0.2515701716        3.9749639567
  P         5.3175494600       -0.2483877772        3.2934607493
  C         5.5213695487       -2.0332166951        2.7951630515
  C         4.3865505318       -2.4479449320        1.8358744755
  C         4.3643374885       -3.9571189147        1.5662741510
  C         4.2913201488       -4.7581249579        2.8730404429
  C         5.4928728878       -4.4179757311        3.7645589431
  C         5.5393490706       -2.9052145925        4.0704143491
  C         5.1128879757        0.6934685522        1.7167218138
  C         4.7985571736        2.1903075191        1.9614153701
  C         4.3819365017        2.8517041756        0.6371065400
  C         5.4785520121        2.6839631350       -0.4226430215
  C         5.8653775140        1.2145110881       -0.6382086509
  C         6.2481070891        0.5238139662        0.6827026993
  C         1.9132997438        0.2712449550        3.4812842215
  C         1.9015966015       -0.9484041378        4.1650421576
  C         1.0661311001       -0.7289882210        5.4390738575
  C         1.9454311838        0.2348827482        6.2651164534
  C         1.9451700386        1.4535590581        5.5852236123
  C         1.0749270954        1.2521840322        4.3305183430
  C         0.0097265665        0.2833901214        4.9133739572
  H         4.4044878131        0.1728349739        8.3874739425
  H         5.6302219405       -2.3273108791        7.1050585525
  H         3.9666292653       -1.7894898905        6.9134610079
  H         4.2662327249       -3.5240944923        8.7344907463
  H         3.6150784493       -2.0229401423        9.4038461562
  H         5.4217143498       -2.8241086406       10.8706829462
  H         6.5268300377       -2.9755564056        9.5165294861
  H         7.0685029451       -0.9298540704       10.7541842233
  H         5.4021733396       -0.3575913864       10.6792334806
  H         6.7458104323        0.8269232797        9.0163884242
  H         7.3360121490       -0.7010335150        8.3479132218
  H         6.6897841379        2.4550728456        7.2264864905
  H         4.8731930593        2.2852961299        8.8265438585
  H         3.6464307704        2.5990411625        7.5849453662
  H         5.6936412190        4.5977194355        8.6628672474
  H         3.9434774051        4.6352674975        8.8995156146
  H         4.6145917131        6.2464387016        7.1507914133
  H         3.5864607783        5.0055861971        6.4650735966
  H         6.6561660511        5.0622111099        6.3377497232
  H         5.5761610990        5.4185974123        4.9943522444
  H         6.3907556011        3.0656517151        4.8434146773
  H         4.6408486726        3.1388677108        5.0223419397
  H         7.8415870348        0.7220856066        5.9008373889
  H         7.1779149387       -0.9146718388        5.8214592637
  H         7.7623020596       -0.3275419558        3.4867989426
  H         7.1058705436        1.3036535296        3.6833912577
  H         6.4962865746       -2.1282730707        2.2910129842
  H         4.4559467013       -1.8999394941        0.8857113698
  H         3.4302504798       -2.1590526203        2.2933327067
  H         5.2639582465       -4.2316237747        0.9950629708
  H         3.5151380740       -4.2074318615        0.9164721731
  H         4.2280148387       -5.8304236151        2.6371643204
  H         3.3610117391       -4.5224790834        3.4097857533
  H         5.4700566374       -4.9618622829        4.7223447263
  H         6.4010673003       -4.7307594107        3.2288924577
  H         6.4269201145       -2.6588249760        4.6714718809
  H         4.6713359908       -2.6129124189        4.6869680979
  H         4.2087620554        0.2090511034        1.3141346758
  H         5.6859905585        2.6958671999        2.3749530309
  H         4.0079466533        2.3112977443        2.7193889894
  H         4.1814917380        3.9253102136        0.7692525657
  H         3.4366501702        2.3931831279        0.3064126770
  H         6.3496990923        3.2630048842       -0.0778208314
  H         5.1518749653        3.1193255120       -1.3769737307
  H         6.6795583973        1.1223508099       -1.3752666529
  H         5.0072613047        0.6772158104       -1.0707344270
  H         7.1642620657        0.9834187732        1.0771128296
  H         6.4561290474       -0.5381455145        0.4897320621
  H         2.1851085754        0.4371432498        2.4443519683
  H         2.1572016787       -1.9274116762        3.7686593557
  H         0.7300834113       -1.6297290385        5.9581734319
  H         2.2084658115        0.0992908124        7.3057825972
  H         2.2130962604        2.4215960738        6.0019285412
  H         0.7452132041        2.1639015137        3.8259104030
  H        -0.5580065391        0.7452714073        5.7280951803
  H        -0.6576952660       -0.1320839099        4.1540004564
 Rh        14.7494784880       19.6401438708       14.9467064550
  P        12.9971687756       19.2181533036       13.4820934121
  C        13.1650234473       20.2106189064       11.9292445508
  C        13.5409718814       21.6776754583       12.2148291102
  C        13.8465769363       22.3989291921       10.8966492836
  C        12.6781185539       22.3049167492        9.9098918720
  C        12.2533956484       20.8506378233        9.6642005386
  C        11.9622740286       20.1040598702       10.9774977017
  C        12.7216136373       17.4646551861       12.9119269512
  C        13.7589803705       17.0412241809       11.8553950459
  C        13.6596837708       15.5430259243       11.5305995410
  C        13.7625148774       14.6719986370       12.7848982045
  C        12.6520004710       15.0416905199       13.7676205553
  C        12.7425121388       16.5300291217       14.1404170758
  C        11.3768650266       19.7301954870       14.2681161951
  C        11.4524303283       19.6351550576       15.8017927260
  P        13.1031087113       20.1328910251       16.4911381643
  C        12.8948080237       21.9075188912       17.0056876226
  C        14.0075873362       22.3175704011       17.9910534033
  C        14.0400083253       23.8318459402       18.2530770218
  C        14.0864873522       24.6403644513       16.9557791949
  C        12.8842145507       24.2898568039       16.0821827303
  C        12.8923490921       22.7920374022       15.7461997680
  C        13.3259514324       19.1737856859       18.0661691674
  C        13.6058471646       17.6836978869       17.7796426848
  C        14.0070410001       16.9588538657       19.0724245027
  C        12.9372856712       17.1216952543       20.1562881277
  C        12.5927675985       18.5980283737       20.4043501360
  C        12.2037212098       19.3411329887       19.1085839420
  C        16.4902252806       19.6344010073       16.3098667698
  C        16.4894735489       20.8413247128       15.6070163787
  C        17.3360812851       20.6102173872       14.3404932763
  C        16.4605366447       19.6322878711       13.5187119551
  C        16.4638498539       18.4300971602       14.2269009784
  C        17.3385557727       18.6536188134       15.4769913157
  C        18.4024488306       19.6265985002       14.8930264034
  H        14.0465954526       19.7627951453       11.4365588540
  H        12.7252833358       22.2076672628       12.7291188121
  H        14.4211866775       21.6910998710       12.8792218053
  H        14.1102812817       23.4486571215       11.0889873895
  H        14.7268901907       21.9174059575       10.4508492862
  H        12.9597492491       22.7580022879        8.9489849696
  H        11.8254067304       22.8831619769       10.2938458038
  H        11.3706905386       20.8361323252        9.0073562087
  H        13.0560808194       20.3223726137        9.1239538686
  H        11.7039695010       19.0563868143       10.7734759655
  H        11.0860774757       20.5515872321       11.4643100522
  H        11.7178392278       17.4135485938       12.4597701858
  H        13.6358174392       17.6174431460       10.9266213639
  H        14.7707141159       17.2504950444       12.2317201944
  H        12.7061003736       15.3354202134       11.0229551528
  H        14.4631693143       15.2878677299       10.8293088180
  H        13.7301956186       13.6090103881       12.5068249867
  H        14.7416837880       14.8074661782       13.2686591470
  H        11.6706110938       14.8205304601       13.3194477980
  H        12.7374904199       14.4534600789       14.6915963321
  H        11.9106117959       16.7962299543       14.8048277580
  H        13.6695488442       16.7036798547       14.7133982027
  H        10.5484328763       19.1040986873       13.9015743058
  H        11.1701946491       20.7633355477       13.9436887969
  H        10.6590010196       20.2278911047       16.2746294862
  H        11.3147461728       18.5908069990       16.1181139300
  H        11.9060521871       22.0086595017       17.4831938646
  H        13.8822640107       21.7907134082       18.9445593656
  H        14.9739353804       21.9727189995       17.5974235028
  H        13.1433795368       24.1222655404       18.8209445995
  H        14.8892276773       24.0859552081       18.8981511529
  H        14.1219360734       25.7129481028       17.1930132622
  H        15.0009842618       24.4087285581       16.3899412764
  H        12.9035704857       24.8453499450       15.1339531002
  H        11.9592709547       24.5543757121       16.6143937935
  H        12.0234395970       22.5399591985       15.1239111992
  H        13.7904382241       22.5588234296       15.1503425242
  H        14.2431240118       19.6156105639       18.4963934954
  H        12.7011036585       17.2177044716       17.3625426335
  H        14.3929844992       17.5885142380       17.0156480756
  H        14.1998421527       15.8914734855       18.8873058403
  H        14.9584458714       17.3794914482       19.4327792316
  H        12.0132862785       16.5941945494       19.8753543028
  H        13.2942315886       16.6471170363       21.0823884761
  H        11.7730515633       18.6361696730       21.1372810438
  H        13.4629296026       19.1152471814       20.8358582261
  H        11.2567898667       18.9338249541       18.7295614495
  H        12.0473086932       20.4103415861       19.3102782498
  H        16.1928373146       19.4724539712       17.3390654636
  H        16.2190301959       21.8222434211       15.9874604796
  H        17.6877776429       21.5058877379       13.8268036595
  H        16.1901384000       19.7734114577       12.4751411892
  H        16.1887327304       17.4432928311       13.8623246944
  H        17.6556736105       17.7433694910       15.9886061432
  H        19.0005119739       19.1708953433       14.0976404693
  H        19.0603348575       20.0872522329       15.6388525124
 Rh         5.9492406681       10.0540956032       15.0129330652
  P         4.1698756846        9.6419190165       13.5928877745
  C         3.7861535538        7.8853699148       13.0998549318
  C         3.8193696264        6.9832585525       14.3451334279
  C         3.7655816405        5.4916400518       13.9810469278
  C         4.8812767152        5.1034046175       13.0101463527
  C         4.7579339128        5.9235910511       11.7257774115
  C         4.7969858147        7.4308674004       12.0321927587
  C         2.5842808288       10.2399320023       14.3655983645
  C         2.6192997497       10.1203052602       15.8961969070
  P         4.3098428300       10.5853492437       16.5403801582
  C         4.1477813780       12.3685359470       17.0472418728
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  H        15.0978831863        8.0046137646       13.0372842931
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  F         1.3600645017       18.0112204558       18.4839140587
  F         3.3564989772       17.0880914815       18.6329537465
  C         3.2704233951       19.3460210487       17.8951202163
  C         4.1209020145       19.0227266327       16.8303095027
  C         4.6616416514       20.0035799606       15.9702555737
  C         4.2596690806       21.3223122372       16.2281212340
  C         3.4173235503       21.6465542897       17.2978566184
  C         2.9179343885       20.6722549032       18.1537453777
  C         2.9133427109       23.0430483576       17.4370736287
  F         2.2983023923       23.2897370711       18.6276578713
  F         3.9102511976       23.9675482334       17.3073120993
  F         1.9894324846       23.2916707177       16.4338742633
  B         5.5973334974       19.6245165388       14.6712426962
  C         6.6367815898       18.4057987679       14.9838043500
  C         7.2520192824       18.2747394035       16.2425752510
  C         8.2200114551       17.2986318891       16.4941909440
  C         8.6079795677       16.4015078775       15.5029841390
  C         8.0115271358       16.5155735573       14.2470076059
  C         7.0626667865       17.5168021029       13.9828247958
  C         8.4079514010       15.5841409325       13.1436723659
  F         7.3106023028       15.0286318536       12.5394781755
  F         9.2131155363       14.5628185500       13.5676898275
  F         9.1114033981       16.2362255578       12.1650162442
  C         8.7743878208       17.1523357568       17.8748982051
  F         8.9110655364       18.3705762296       18.4865230136
  F        10.0110989038       16.5641294851       17.8935366624
  F         7.9636492667       16.3865591278       18.6946897943
  C         6.6230503854       20.8311212658       14.2588033599
  C         7.2016999855       21.6788285832       15.2203528416
  C         8.1433772190       22.6531838849       14.8718279781
  C         8.5542938910       22.8133162003       13.5455005908
  C         7.9977210881       21.9749034318       12.5793012796
  C         7.0608924831       20.9966652402       12.9348176700
  C         8.3842109027       22.1120741865       11.1354030109
  F         8.8201670448       20.9008993595       10.6315886996
  F         9.3721809424       23.0301039750       10.9275785772
  F         7.3257091036       22.5103995462       10.3432821921
  C         8.6726678644       23.5844155928       15.9207556394
  F         9.5891909797       24.4634756329       15.4099269223
  F         7.6912073307       24.3564076951       16.5009208191
  F         9.2735545547       22.8826634012       16.9436233557
  C         4.5312222298       19.2738240943       13.4698817959
  C         4.0337440612       17.9762222006       13.2532335858
  C         3.0595419910       17.7121875905       12.2787382544
  C         2.5400280616       18.7264698847       11.4846621812
  C         2.9917218818       20.0326576548       11.7016788234
  C         3.9657667864       20.2944983992       12.6745614577
  C         2.3884961492       21.1351058318       10.8798196417
  F         2.3701189367       20.7835982899        9.5403255866
  F         1.0823087674       21.3998321581       11.2220132188
  F         3.0399696292       22.3240353311       10.9983281143
  C         2.4929419895       16.3288161026       12.1627428511
  F         1.9315717176       16.0523295562       10.9433272422
  F         3.4348452542       15.3705924842       12.3944948304
  F         1.5194591233       16.1215928946       13.1221250067
  H         4.3757869392       17.9773445201       16.6776430664
  H         4.5891653402       22.1156918335       15.5596887104
  H         2.2534235084       20.9568948721       18.9643084767
  H         6.9713959448       18.9367889443       17.0575560258
  H         9.3486531397       15.6385417952       15.7237319739
  H         6.6423137490       17.6190347655       12.9798195727
  H         6.8840593114       21.5997326205       16.2589742333
  H         9.2609681095       23.5934182414       13.2817218013
  H         6.6533117254       20.3494581853       12.1594401083
  H         4.3994649234       17.1396840610       13.8468743649
  H         1.8096320649       18.4682681850       10.7221184340
  H         4.2986783577       21.3210773661       12.8105909880
  F        15.6848132045        1.2787139549       -0.2952053447
  C        15.7198972275        1.6402937843        1.0354469255
  F        17.0505974145        1.8985652211        1.3148831780
  F        15.0543653790        2.8241598144        1.1648710612
  C        15.1401238544        0.5732585307        1.9156974114
  C        14.2938132267        0.8970582095        2.9839901944
  C        13.7768535329       -0.0837675815        3.8561483184
  C        14.1998215433       -1.4025535739        3.6201476054
  C        15.0415904351       -1.7295310764        2.5464195371
  C        15.5105290715       -0.7530435089        1.6703503703
  C        15.5115742949       -3.1415219935        2.3758957038
  F        16.1131638751       -3.3790165745        1.1733692086
  F        14.4993414876       -4.0536118759        2.4917079612
  F        16.4252631070       -3.4516521436        3.3665496918
  B        12.8221416657        0.2694101900        5.1473816475
  C        11.7630881520        1.4810887244        4.8426727296
  C        11.1673419311        1.6014694728        3.5724657308
  C        10.1956838479        2.5706826004        3.2963840399
  C         9.7733747389        3.4611957700        4.2935159370
  C        10.3467299354        3.3531559803        5.5665768049
  C        11.3146858637        2.3744282743        5.8301363523
  C         9.9795119623        4.3081385728        6.6740277019
  F        11.0962888774        4.8753666031        7.2540856632
  F         9.1949887360        5.3394293680        6.2343689069
  F         9.3046594816        3.6810141046        7.6961652224
  C         9.6426001895        2.7405271863        1.9041314378
  F         9.4991035855        1.5424696827        1.2467363064
  F         8.4056927276        3.3414442760        1.9046602741
  F        10.4511148636        3.5251296269        1.1034100107
  C        11.8115736919       -0.9661435356        5.5466518238
  C        11.2559596284       -1.8375225866        4.5895601818
  C        10.3040064596       -2.8063266266        4.9276040357
  C         9.8570586994       -2.9566403823        6.2437825463
  C        10.3777054517       -2.0862652882        7.2072128839
  C        11.3274729617       -1.1166399132        6.8600779509
  C         9.9807359838       -2.1887694701        8.6541496601
  F         9.5881412968       -0.9741367890        9.1650402383
  F         8.9609302715       -3.0594176796        8.8707261220
  F        11.0197614904       -2.6057707991        9.4558945588
  C         9.7537937203       -3.6961888395        3.8503044881
  F         8.8184628014       -4.5648496026        4.3240403173
  F        10.7185421093       -4.4518625039        3.2256567981
  F         9.1398630880       -2.9663046995        2.8542185688
  C        13.8911220451        0.6113176179        6.3409143652
  C        14.3859744829        1.9094316264        6.5641622628
  C        15.3490048707        2.1924681017        7.5447059833
  C        15.8647689276        1.1678191201        8.3366051571
  C        15.4132131081       -0.1347618556        8.1036421653
  C        14.4572774400       -0.4147978805        7.1268725260
  C        16.0226272326       -1.2295159810        8.9215548871
  F        16.0414196333       -0.8750200379       10.2595573633
  F        17.3281950152       -1.4905919055        8.5767902547
  F        15.3710736552       -2.4171324268        8.8012076894
  C        15.9158394972        3.5803326915        7.6493854179
  F        16.4797031436        3.8602961235        8.8642075850
  F        14.9747783432        4.5388915650        7.4059275075
  F        16.8887434542        3.7867504904        6.6817379278
  H        14.0223632563        1.9407932054        3.1329882166
  H        13.8219640242       -2.1892465213        4.2741061224
  H        16.1560161954       -1.0219426355        0.8378499328
  H        11.5000852159        0.9272457914        2.7855643784
  H         9.0338137619        4.2180868564        4.0503467426
  H        11.7541177291        2.3258078516        6.8259271754
  H        11.5701775226       -1.7777618291        3.5486091710
  H         9.1600875448       -3.7509045521        6.4947655952
  H        11.7082164986       -0.4727513645        7.6514394287
  H        14.0097113539        2.7270042443        5.9503358949
  H        16.6205105860        1.3705509714        9.0884600404
  H        14.1505097987       -1.4503811630        6.9802368593
  H        10.7872312860       11.7278609248        4.9373439014
  H        12.3208700216       10.6750100407        3.4004574539
     646
 i =        7, E =         0.0242074848
 Rh         3.6477746807        0.2461518187        4.8328476651
  P         5.3938575524        0.6534593130        6.2907057097
  C         5.2521488519       -0.3069260016        7.8677402511
  C         4.8237593908       -1.7663231775        7.6072772728
  C         4.5032864633       -2.4674844177        8.9354073786
  C         5.6892979031       -2.3711013813        9.9059652948
  C         6.1638071286       -0.9283946608       10.1304196478
  C         6.4687969813       -0.2137900148        8.8076255451
  C         5.6692154502        2.4171569927        6.8030181931
  C         4.6704892317        2.8439058566        7.9024037186
  C         4.7287066624        4.3516970729        8.1870420774
  C         4.5777771404        5.1733800913        6.9078054701
  C         5.6758979515        4.8160465941        5.9099611804
  C         5.5908261109        3.3267486387        5.5519006192
  C         7.0068123696        0.1235806146        5.5038986079
  C         6.9617319630        0.2498463026        3.9734066325
  P         5.3166095500       -0.2485641725        3.2914647414
  C         5.5208150268       -2.0336789324        2.7922316590
  C         4.3849374660       -2.4486703770        1.8343969195
  C         4.3655319279       -3.9571424898        1.5609546110
  C         4.2886472397       -4.7590703828        2.8673817784
  C         5.4877345483       -4.4185943251        3.7627156108
  C         5.5350760516       -2.9048668088        4.0678695330
  C         5.1180867768        0.6950286384        1.7158240247
  C         4.8034166444        2.1928288350        1.9605070437
  C         4.3825440872        2.8508197529        0.6356886664
  C         5.4777026388        2.6812682461       -0.4250093353
  C         5.8686521745        1.2131142676       -0.6396642476
  C         6.2547219964        0.5257288484        0.6818302014
  C         1.9133012089        0.2712001565        3.4807469620
  C         1.9017705341       -0.9500005541        4.1614989628
  C         1.0655149546       -0.7340211461        5.4351324220
  C         1.9423811453        0.2305097846        6.2633602598
  C         1.9400536701        1.4507366367        5.5867598482
  C         1.0723902519        1.2496026921        4.3300998146
  C         0.0082587378        0.2795110422        4.9127514884
  H         4.4088922467        0.1731590876        8.3914527242
  H         5.6242686662       -2.3306083774        7.1056506500
  H         3.9646279124       -1.7833284112        6.9142351065
  H         4.2705892525       -3.5225753910        8.7346237552
  H         3.6124708621       -2.0250759505        9.4072864849
  H         5.4224370088       -2.8170721430       10.8718676582
  H         6.5263234861       -2.9688894164        9.5165682493
  H         7.0698725410       -0.9274211665       10.7545558737
  H         5.4060322126       -0.3481273759       10.6804910405
  H         6.7486020466        0.8299980955        9.0177273588
  H         7.3405171933       -0.7002164835        8.3534696423
  H         6.6889756554        2.4493040337        7.2246192520
  H         4.8780115059        2.2841836740        8.8272945761
  H         3.6465265611        2.5947705447        7.5879457015
  H         5.6884006116        4.5982506233        8.6640099968
  H         3.9366005675        4.6349434378        8.8937752088
  H         4.6097179676        6.2429178536        7.1482884141
  H         3.5861101023        4.9996394733        6.4599487269
  H         6.6565033240        5.0581054965        6.3467473278
  H         5.5846489781        5.4216625776        4.9986667527
  H         6.3875047463        3.0639849052        4.8407185977
  H         4.6381823120        3.1434236322        5.0226520041
  H         7.8396994242        0.7217607201        5.8947290716
  H         7.1762585609       -0.9159870427        5.8217324853
  H         7.7590358010       -0.3273315449        3.4821569928
  H         7.1010205706        1.3029078373        3.6839002386
  H         6.4969459866       -2.1294205741        2.2907112148
  H         4.4464657685       -1.8966102640        0.8860631191
  H         3.4309008698       -2.1654685028        2.3001870776
  H         5.2662001679       -4.2285127873        0.9896992264
  H         3.5186983132       -4.2091261211        0.9086045475
  H         4.2232709286       -5.8308817565        2.6292860240
  H         3.3569890039       -4.5232789460        3.4015865455
  H         5.4642262525       -4.9609953649        4.7214011843
  H         6.3950182500       -4.7331139966        3.2268238982
  H         6.4205638548       -2.6571697978        4.6714174876
  H         4.6661334453       -2.6084244038        4.6815073443
  H         4.2155222058        0.2078139688        1.3133907270
  H         5.6917698059        2.6989921398        2.3718594939
  H         4.0150758331        2.3166511161        2.7204458897
  H         4.1846888121        3.9258795460        0.7612187113
  H         3.4354569851        2.3912736226        0.3117089048
  H         6.3454241257        3.2643516554       -0.0779953007
  H         5.1497323536        3.1137420765       -1.3799082238
  H         6.6794836694        1.1213832500       -1.3808735206
  H         5.0107419208        0.6724825471       -1.0680818854
  H         7.1694056097        0.9893148029        1.0749945760
  H         6.4649708692       -0.5358237412        0.4888586814
  H         2.1909704358        0.4408511266        2.4459987750
  H         2.1590355129       -1.9278074849        3.7630125071
  H         0.7309095636       -1.6359286415        5.9532454877
  H         2.2015962654        0.0974520695        7.3052226141
  H         2.2001208736        2.4181344163        6.0107974544
  H         0.7422235721        2.1612359292        3.8256463628
  H        -0.5539410068        0.7411429423        5.7316540691
  H        -0.6630946641       -0.1323901205        4.1551060365
 Rh        14.7491927488       19.6402034441       14.9457236125
  P        12.9942326116       19.2183328486       13.4815174371
  C        13.1615528167       20.2110304091       11.9296982032
  C        13.5387493566       21.6775120845       12.2165943434
  C        13.8444999181       22.3969262512       10.8979836797
  C        12.6772587235       22.3021018657        9.9102559676
  C        12.2536908429       20.8478086089        9.6634392578
  C        11.9601161222       20.1020568833       10.9764174237
  C        12.7185820247       17.4656025990       12.9088803928
  C        13.7552262081       17.0420205003       11.8522895077
  C        13.6555311364       15.5432764878       11.5310779559
  C        13.7627779441       14.6738159131       12.7859758699
  C        12.6517769172       15.0419275108       13.7683134194
  C        12.7404793614       16.5313021570       14.1373765437
  C        11.3739662634       19.7294863108       14.2698491493
  C        11.4554320096       19.6392791824       15.8035558468
  P        13.1052839337       20.1352796509       16.4930507923
  C        12.8963694747       21.9100520348       17.0060172874
  C        14.0069321435       22.3221644871       17.9929662726
  C        14.0403643887       23.8376324312       18.2502720782
  C        14.0857402019       24.6437803006       16.9515340876
  C        12.8842830870       24.2891467375       16.0789937812
  C        12.8997637805       22.7911877508       15.7448472245
  C        13.3244692490       19.1753240576       18.0687566194
  C        13.6039851078       17.6852815912       17.7804518737
  C        14.0074687254       16.9595206946       19.0718143587
  C        12.9400679244       17.1221400964       20.1572282945
  C        12.5925100345       18.5976384847       20.4054858013
  C        12.2011893229       19.3421485051       19.1106765759
  C        16.4874973668       19.6354011769       16.3099736744
  C        16.4885037455       20.8419566336       15.6068722514
  C        17.3371647922       20.6096771025       14.3418907512
  C        16.4622070211       19.6306732448       13.5195054335
  C        16.4650741648       18.4292763483       14.2292002595
  C        17.3378438902       18.6543846152       15.4802985379
  C        18.4028857640       19.6261324478       14.8953351830
  H        14.0455052111       19.7660215073       11.4380096373
  H        12.7267473006       22.2112503909       12.7330168535
  H        14.4218145099       21.6853591638       12.8778255817
  H        14.1100759388       23.4465722086       11.0885017773
  H        14.7229330786       21.9106999618       10.4535221267
  H        12.9609246887       22.7527730412        8.9488575188
  H        11.8236386087       22.8805989966       10.2919879227
  H        11.3739577617       20.8354330120        9.0024915462
  H        13.0579633694       20.3194643586        9.1252694796
  H        11.7023913236       19.0538166239       10.7738400107
  H        11.0834995059       20.5499806788       11.4619234723
  H        11.7143118347       17.4130366982       12.4577838023
  H        13.6325776893       17.6156600545       10.9215544320
  H        14.7670169569       17.2507516744       12.2288286395
  H        12.7005245095       15.3341883672       11.0263827540
  H        14.4583075579       15.2882047450       10.8294249031
  H        13.7362944873       13.6103911467       12.5086244518
  H        14.7414089024       14.8134549344       13.2698017871
  H        11.6704393993       14.8171066992       13.3216075904
  H        12.7412947309       14.4575267410       14.6943234583
  H        11.9074344275       16.7987077934       14.7995872334
  H        13.6670936720       16.7058132326       14.7109457728
  H        10.5460875440       19.0968625537       13.9124986748
  H        11.1598191294       20.7598978521       13.9405834428
  H        10.6634003752       20.2327486618       16.2775365368
  H        11.3201527285       18.5950838286       16.1214472754
  H        11.9045171871       22.0144765053       17.4767651798
  H        13.8789019872       21.7990684993       18.9480069215
  H        14.9722778397       21.9713936817       17.6017456517
  H        13.1436563690       24.1296464637       18.8173617165
  H        14.8881256518       24.0960254058       18.8954613883
  H        14.1204508594       25.7166220523       17.1878630082
  H        14.9984614375       24.4112959650       16.3833671956
  H        12.9025630853       24.8416814037       15.1291540110
  H        11.9587746858       24.5503141225       16.6120412382
  H        12.0358412559       22.5343935009       15.1175258572
  H        13.8034001891       22.5599546159       15.1560864907
  H        14.2400549330       19.6174795580       18.5024807580
  H        12.6975568287       17.2211982292       17.3649520397
  H        14.3893737241       17.5905265791       17.0146474586
  H        14.2018140867       15.8918308073       18.8895123373
  H        14.9586556992       17.3818305730       19.4309454610
  H        12.0148652220       16.5938206977       19.8817424137
  H        13.3023479748       16.6486812593       21.0818031764
  H        11.7738995683       18.6280251913       21.1399587007
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 Rh        12.5379509879        9.7878013634        4.6411836264
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  C        14.8757856511       14.3090719693        6.0388577294
  C        13.5511357720       14.7453056054        6.6705926961
  C        13.1712030621       13.8315164685        7.8437688355
  C        13.0886664754       12.3724134980        7.3591883922
  C        15.8979185240        9.6842049023        5.4338822449
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  C        14.5179404625        6.7138316495        3.9631161251
  C        14.4478066647        5.2152115098        3.6364561761
  C        13.1267719383        4.8776344339        2.9207041721
  C        13.0088299200        5.7052725084        1.6307722273
  C        13.0397288346        7.2091225833        1.9290369464
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  C        13.8507122909       11.8247229196        1.7853664418
  C        13.4717310950       12.4932764369        0.4619832983
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  C        13.4182049535        7.0421215332        8.9358995151
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  F         7.3378786162       10.8295982080       -0.2898405450
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  C         6.9818690407        8.8326382747        1.6362125047
  C         6.4421922300        7.8342907698        2.4437219721
  C         5.5474557081        8.1555178889        3.4750813890
  C         5.1550905216        9.4831414023        3.7487486819
  C         5.7103201914       10.4763402291        2.9095448427
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  C         2.5953362747        7.8552048591        4.6576968753
  C         1.6866250276        6.8702292299        5.0683252645
  C         1.3270387856        6.7365076578        6.4151274798
  C         1.9143184441        7.6286293925        7.3264583078
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  F         2.6854052513        7.1622533183        9.5363642507
  F         1.1772818418        8.7362653244        9.3152584559
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  F         0.2559305679        5.0654134044        4.3304137026
  F         0.7156473362        6.7229813343        2.9292456101
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  C         1.1089606767       12.3851555940        1.9176938408
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  F         1.8889081876       13.1588381229        1.0960491092
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  F         7.4961949427        5.8845262871        3.2983993952
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  F         2.7418143585       14.5657231982        7.1198693519
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  H         3.2494089937       11.9504034040        6.7859395921
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  F        11.2167987430        9.0219096096       20.1762756168
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  C        11.4188049354       11.0385234794       18.1912915564
  C        11.8829362464       12.0184891410       17.3137808478
  C        12.7673515672       11.6909503338       16.2766949562
  C        13.2470838012       10.3872198748       16.0774198578
  C        12.7565292600        9.4094290004       16.9663164034
  B        14.1583944631        9.9817856581       14.7773114377
  C        15.1700623357       11.1798383527       14.3153995973
  C        15.7745861031       12.0415463270       15.2447827841
  C        16.7029440767       13.0136289975       14.8489797120
  C        17.0906696124       13.1361705815       13.5109985073
  C        16.5166135868       12.2723373636       12.5713160138
  C        15.5727436778       11.3192947467       12.9727036595
  C        16.8553866493       12.3897883535       11.1029196229
  F        17.8612523743       13.2700861126       10.8529895525
  F        15.7912085117       12.8196708501       10.3412408194
  F        17.2369833870       11.1878288503       10.5581088511
  C        17.2405035995       13.9437437776       15.8983696419
  F        16.2465744135       14.6746468900       16.4953145192
  F        18.1477536199       14.8395077208       15.4022104391
  F        17.8403823813       13.2560235569       16.9333298591
  C        13.0653875191        9.6366189940       13.5851582900
  C        12.4746784996       10.6664531149       12.8205588889
  C        11.4985067919       10.4152754362       11.8437089163
  C        11.0464081740        9.1133037809       11.6083630809
  C        11.6063564930        8.0806490809       12.3652820398
  C        12.5925941578        8.3353457566       13.3233507129
  C        11.0267356383        6.7030830712       12.2264248580
  F        10.4953852663        6.4949167781       10.9910478810
  F        11.9226966571        5.6940389853       12.4631413682
  F        10.0081073978        6.4995745040       13.1288776181
  C        10.9166019867       11.5313468435       11.0163195804
  F         9.7411177295       11.1780370698       10.4104007059
  F        10.6304827071       12.6559691513       11.7342927528
  F        11.7557743917       11.8890120770        9.9843240541
  C        15.1812582989        8.7382607429       15.0652451206
  C        15.8340851091        8.5531254916       16.3013984957
  C        16.7733266766        7.5327499506       16.4759139634
  C        17.0873568868        6.6616728917       15.4330761629
  C        16.4734826120        6.8371375549       14.2039693565
  C        15.5482661890        7.8740498555       14.0195673761
  C        17.4539247803        7.2209347028       17.7726315368
  F        17.6080522059        8.2926450858       18.6167344613
  F        16.7883375963        6.2504226620       18.4793159255
  F        18.7080642332        6.7214157532       17.5308373909
  C        11.3895315985       13.4295372836       17.4303336506
  F        10.7854286408       13.6699543309       18.6257532041
  F        10.4803288493       13.7350542690       16.4302045069
  F        12.4020032488       14.3417725036       17.3039665530
  F        17.6298341145        4.8773383629       13.4828572403
  F        17.3757859837        6.5299168353       12.0232623863
  F        15.6561452982        5.2709768029       12.6072469919
  C        16.7859178338        5.8877497266       13.0845420732
  H        10.7170536933       11.2826040181       18.9864345461
  H        13.0559569272       12.4793855403       15.5838069888
  H        13.0700864594        8.3770806855       16.8464292368
  H        15.5282496011       11.9432042013       16.3021033260
  H        17.8030702054       13.8988242465       13.2135231415
  H        15.1338742157       10.6732454158       12.2135188205
  H        12.7765431528       11.6963539836       13.0114590136
  H        10.2503903605        8.9072573644       10.8979015240
  H        12.9771798713        7.4849488615       13.8861264966
  H        15.6210160627        9.2304250050       17.1246774666
  H        17.7965237973        5.8597670427       15.6024791247
  H        15.0959425907        8.0081917662       13.0395749312
  F         2.7260615922       18.6304149979       20.0961739518
  C         2.6894789540       18.2731901435       18.7659511294
  F         1.3602167128       18.0112517132       18.4844205425
  F         3.3565049897       17.0887569823       18.6331684952
  C         3.2702657064       19.3490293830       17.8975651333
  C         4.1201485720       19.0249681640       16.8320811476
  C         4.6618565255       20.0041781201       15.9706909877
  C         4.2604858119       21.3232453498       16.2273656409
  C         3.4202049876       21.6484278067       17.2983852321
  C         2.9209590586       20.6762735710       18.1562660483
  C         2.9143020944       23.0438221112       17.4372739009
  F         2.2984524205       23.2896866333       18.6279994610
  F         3.9103849937       23.9684502427       17.3077096430
  F         1.9894947844       23.2915201008       16.4345361295
  B         5.5981668081       19.6248188471       14.6715251591
  C         6.6397825955       18.4086703223       14.9833770687
  C         7.2561785840       18.2781285555       16.2414927297
  C         8.2227455593       17.3012939340       16.4930366540
  C         8.6085990967       16.4030300095       15.5019975426
  C         8.0118125302       16.5171974865       14.2458894079
  C         7.0651297053       17.5205364049       13.9812404611
  C         8.4076048887       15.5843648408       13.1434389901
  F         7.3102658433       15.0286539182       12.5395454225
  F         9.2127836938       14.5629750909       13.5676924403
  F         9.1111608376       16.2362560141       12.1647816446
  C         8.7753540585       17.1531020077       17.8742243718
  F         8.9112662112       18.3707614868       18.4867114239
  F        10.0114125317       16.5641313777       17.8935316241
  F         7.9640744532       16.3870140936       18.6939731440
  C         6.6246787980       20.8301017042       14.2598862458
  C         7.2031385313       21.6764258840       15.2223706360
  C         8.1460435326       22.6496777182       14.8743534513
  C         8.5578428617       22.8098364548       13.5481537434
  C         7.9996854739       21.9734676621       12.5806724040
  C         7.0626246116       20.9956760355       12.9362624655
  C         8.3842202918       22.1119849596       11.1361168444
  F         8.8197659671       20.9009468145       10.6316571943
  F         9.3717496005       23.0302639373       10.9277418574
  F         7.3253327397       22.5103384914       10.3439879456
  C         8.6732419716       23.5836130198       15.9218926191
  F         9.5889467013       24.4633117380       15.4102381320
  F         7.6911584275       24.3559827393       16.5009809322
  F         9.2738660034       22.8826804305       16.9446837225
  C         4.5334192608       19.2722103018       13.4693982212
  C         4.0358107696       17.9742578782       13.2537454122
  C         3.0617043348       17.7106864596       12.2795215676
  C         2.5425471685       18.7239816557       11.4840239874
  C         2.9928080948       20.0310444115       11.7009464975
  C         3.9676906628       20.2923329398       12.6731545557
  C         2.3885139391       21.1343122914       10.8800270734
  F         2.3695763496       20.7834969106        9.5405555893
  F         1.0822419413       21.3995251212       11.2226359821
  F         3.0395379947       22.3237202668       10.9988329971
  C         2.4933700131       16.3281933145       12.1633030402
  F         1.9313491517       16.0522477932       10.9439466515
  F         3.4347889293       15.3697262956       12.3948736206
  F         1.5194439448       16.1215309323       13.1225364887
  H         4.3736294396       17.9789717878       16.6816766948
  H         4.5876435052       22.1146687767       15.5557356552
  H         2.2578202170       20.9661429149       18.9662194260
  H         6.9765314013       18.9396022950       17.0571705828
  H         9.3483610756       15.6401238366       15.7250002385
  H         6.6448475786       17.6279171193       12.9783264051
  H         6.8807051123       21.5991907397       16.2596536198
  H         9.2643235248       23.5909913410       13.2868181219
  H         6.6532192159       20.3491889383       12.1613322608
  H         4.4009434180       17.1366893544       13.8465943708
  H         1.8156295774       18.4598207757       10.7203986344
  H         4.3024734895       21.3185547728       12.8079479914
  F        15.6840900780        1.2790330520       -0.2960259611
  C        15.7190806987        1.6403402170        1.0344055981
  F        17.0497705325        1.8988882318        1.3141516880
  F        15.0536960168        2.8243983631        1.1642091806
  C        15.1393673577        0.5733006177        1.9149406307
  C        14.2959400151        0.8991414356        2.9852604228
  C        13.7793351223       -0.0806432613        3.8588705892
  C        14.2017029993       -1.3996935637        3.6244070912
  C        15.0407715179       -1.7288590247        2.5487848879
  C        15.5068041640       -0.7537830562        1.6694749689
  C        15.5107964364       -3.1409588980        2.3763494416
  F        16.1123310571       -3.3782943652        1.1731523419
  F        14.4987928505       -4.0533076842        2.4911880096
  F        16.4249217527       -3.4513881956        3.3660726057
  B        12.8225479699        0.2687397547        5.1500448688
  C        11.7605456710        1.4782535612        4.8473820888
  C        11.1662980274        1.5960030238        3.5763586822
  C        10.1950446845        2.5653686748        3.2971164575
  C         9.7711826459        3.4563503139        4.2931650104
  C        10.3431732808        3.3508928291        5.5671777971
  C        11.3114428300        2.3727464915        5.8332352017
  C         9.9780110482        4.3078151268        6.6737348290
  F        11.0955139554        4.8752315455        7.2533745555
  F         9.1944210592        5.3395875406        6.2340810089
  F         9.3041006859        3.6811809954        7.6963633054
  C         9.6426515961        2.7387397645        1.9042488095
  F         9.4984905763        1.5421078432        1.2461143878
  F         8.4056453749        3.3413034882        1.9047037636
  F        10.4504541598        3.5249280577        1.1037251232
  C        11.8126422138       -0.9687063312        5.5470153356
  C        11.2585707845       -1.8408523030        4.5897126062
  C        10.3041076428       -2.8073132487        4.9267084253
  C         9.8548378711       -2.9582663002        6.2417221830
  C        10.3745002128       -2.0876924027        7.2057376313
  C        11.3251062602       -1.1185935379        6.8593435517
  C         9.9795848067       -2.1892770130        8.6533761544
  F         9.5880134342       -0.9741730131        9.1646318807
  F         8.9602589054       -3.0596507119        8.8706497016
  F        11.0194452059       -2.6056043857        9.4550550351
  C         9.7536612243       -3.6964961540        3.8495428810
  F         8.8181113923       -4.5647709476        4.3235430029
  F        10.7182311609       -4.4518274790        3.2250323901
  F         9.1394292258       -2.9661347933        2.8538604402
  C        13.8909672037        0.6095401039        6.3433026579
  C        14.3854595043        1.9080445917        6.5663076029
  C        15.3473536490        2.1924265963        7.5479447511
  C        15.8613445327        1.1676805069        8.3406081385
  C        15.4119377623       -0.1351748497        8.1056417011
  C        14.4577367363       -0.4168808057        7.1278629686
  C        16.0224412131       -1.2296337966        8.9218655259
  F        16.0414916058       -0.8749675430       10.2595030802
  F        17.3279251472       -1.4902905385        8.5760894057
  F        15.3710160623       -2.4171656462        8.8007426776
  C        15.9149974703        3.5805664242        7.6504369830
  F        16.4795800925        3.8607975672        8.8644543646
  F        14.9742418659        4.5392972293        7.4056847184
  F        16.8879167937        3.7867634512        6.6818665123
  H        14.0251989299        1.9433111305        3.1322054770
  H        13.8200712372       -2.1831121867        4.2801037083
  H        16.1474821584       -1.0258400908        0.8340259952
  H        11.5043913551        0.9204681837        2.7930305453
  H         9.0320087580        4.2121105391        4.0441637844
  H        11.7529769938        2.3279841300        6.8283605608
  H        11.5765099736       -1.7855218763        3.5497472499
  H         9.1605876998       -3.7561732368        6.4892086248
  H        11.7052063303       -0.4766581557        7.6525670684
  H        14.0100030193        2.7243021207        5.9502965244
  H        16.6166561494        1.3689841254        9.0933847173
  H        14.1541267081       -1.4533734286        6.9797826404
  H        10.7847298950       11.7321577468        4.9296716470
  H        12.3134919600       10.6705331026        3.4047953301
     646
 i =        8, E =         0.0259587901
 Rh         3.6458293230        0.2473661304        4.8320239496
  P         5.3920404563        0.6523219378        6.2898583817
  C         5.2547879576       -0.3060881570        7.8684498781
  C         4.8219021623       -1.7642860158        7.6085401743
  C         4.5020852567       -2.4648703178        8.9369506028
  C         5.6885293413       -2.3649983448        9.9068222744
  C         6.1646271039       -0.9229203895       10.1314830444
  C         6.4719674112       -0.2109908995        8.8082630063
  C         5.6680037600        2.4154975865        6.8016275807
  C         4.6707822985        2.8415902449        7.9030659215
  C         4.7251491998        4.3498649219        8.1857685769
  C         4.5759597754        5.1700144311        6.9055378275
  C         5.6784231460        4.8148748664        5.9121919040
  C         5.5899832846        3.3265597080        5.5511891546
  C         7.0046901387        0.1215255391        5.5019130556
  C         6.9589738421        0.2481380055        3.9719003663
  P         5.3156223286       -0.2487660732        3.2894954893
  C         5.5201484238       -2.0340904043        2.7892536542
  C         4.3831980268       -2.4493285567        1.8328833399
  C         4.3666836414       -3.9570861570        1.5555562787
  C         4.2858908078       -4.7599452058        2.8615860301
  C         5.4824619787       -4.4191491054        3.7607246048
  C         5.5306795900       -2.9045557466        4.0652192428
  C         5.1232901651        0.6966053469        1.7149111330
  C         4.8083471912        2.1953118367        1.9595189358
  C         4.3831659600        2.8499091271        0.6342372996
  C         5.4768081246        2.6785776522       -0.4275112719
  C         5.8718128759        1.2116711648       -0.6411034020
  C         6.2613566502        0.5277186143        0.6810282105
  C         1.9132089553        0.2712678906        3.4800194729
  C         1.9019150519       -0.9515706143        4.1579006591
  C         1.0649178858       -0.7390178091        5.4311362239
  C         1.9394408550        0.2259342031        6.2617460534
  C         1.9350788591        1.4479582763        5.5882915450
  C         1.0697988511        1.2470142249        4.3297036677
  C         0.0067306838        0.2755811557        4.9121334472
  H         4.4132601912        0.1736630810        8.3952678976
  H         5.6183540415       -2.3336468645        7.1062154801
  H         3.9625624348       -1.7770954051        6.9153491234
  H         4.2748812181       -3.5210076944        8.7350005675
  H         3.6098209393       -2.0271586758        9.4104931941
  H         5.4230940496       -2.8101071981       10.8732461455
  H         6.5258117239       -2.9620695449        9.5167118240
  H         7.0712663491       -0.9248744194       10.7549991054
  H         5.4098129829       -0.3387380224       10.6817283369
  H         6.7514245452        0.8330776212        9.0187193666
  H         7.3450312577       -0.6992134589        8.3587591257
  H         6.6881880414        2.4437728484        7.2226379917
  H         4.8827509637        2.2831597536        8.8279426416
  H         3.6466276240        2.5902010114        7.5910591107
  H         5.6829493071        4.5988874511        8.6652142485
  H         3.9296373016        4.6343206138        8.8881655435
  H         4.6046602165        6.2395270461        7.1457678711
  H         3.5858931164        4.9935615741        6.4546719173
  H         6.6568266610        5.0537787600        6.3558496197
  H         5.5933748944        5.4246209726        5.0030297560
  H         6.3842775929        3.0622731887        4.8379803984
  H         4.6355682620        3.1479084604        5.0231053488
  H         7.8378684908        0.7213918824        5.8889428767
  H         7.1746274399       -0.9173002652        5.8218694638
  H         7.7558287778       -0.3271148965        3.4776192067
  H         7.0961666472        1.3021373518        3.6843487904
  H         6.4974477837       -2.1305464379        2.2902225519
  H         4.4368441723       -1.8932296641        0.8865167677
  H         3.4314334719       -2.1719721083        2.3068565691
  H         5.2685400413       -4.2254487733        0.9845797625
  H         3.5222233364       -4.2105799588        0.9006207917
  H         4.2187414712       -5.8312952029        2.6214972568
  H         3.3527463935       -4.5239949848        3.3930558065
  H         5.4580929339       -4.9601899359        4.7201877678
  H         6.3891026766       -4.7353176750        3.2250342509
  H         6.4140972256       -2.6557938691        4.6712812279
  H         4.6607471752       -2.6042573258        4.6759221130
  H         4.2222156472        0.2070232934        1.3122127467
  H         5.6977023659        2.7021082932        2.3684625895
  H         4.0223355983        2.3218236395        2.7215085598
  H         4.1877542929        3.9262673045        0.7534592720
  H         3.4343710315        2.3893746373        0.3168473124
  H         6.3413115254        3.2655212704       -0.0787237582
  H         5.1475747932        3.1082678837       -1.3829529835
  H         6.6794637010        1.1204702738       -1.3861846547
  H         5.0141645349        0.6676674424       -1.0654650346
  H         7.1746406425        0.9951753620        1.0728601888
  H         6.4740676129       -0.5334053909        0.4882954944
  H         2.1966884069        0.4446176557        2.4475803118
  H         2.1608787442       -1.9280509938        3.7573694096
  H         0.7317215798       -1.6421734906        5.9480833790
  H         2.1946516316        0.0952439938        7.3046684781
  H         2.1870051551        2.4145240896        6.0195664820
  H         0.7390690225        2.1585561514        3.8254092841
  H        -0.5500800532        0.7367922491        5.7351180479
  H        -0.6685408662       -0.1328100459        4.1562746387
 Rh        14.7488826309       19.6404242244       14.9446339270
  P        12.9912375971       19.2184206454       13.4809919488
  C        13.1580084315       20.2114154994       11.9302038727
  C        13.5365277906       21.6773155493       12.2183581134
  C        13.8424997057       22.3948153948       10.8992402160
  C        12.6764562879       22.2992622953        9.9105057528
  C        12.2539939711       20.8449451768        9.6626482417
  C        11.9579144170       20.1001050702       10.9753575339
  C        12.7154465931       17.4664683128       12.9058376827
  C        13.7514506979       17.0427259518       11.8491921602
  C        13.6514675871       15.5434340352       11.5314658533
  C        13.7631209766       14.6756645134       12.7870662593
  C        12.6516149049       15.0421877519       13.7690963679
  C        12.7382732137       16.5325940132       14.1344229515
  C        11.3710122194       19.7286286952       14.2717083996
  C        11.4582823243       19.6434148559       15.8054394491
  P        13.1074275096       20.1377059646       16.4949789625
  C        12.8979755122       21.9126386054       17.0063586056
  C        14.0062628367       22.3268322909       17.9950047966
  C        14.0407297567       23.8435088953       18.2474325529
  C        14.0850239109       24.6471901777       16.9471462730
  C        12.8843816168       24.2884227374       16.0755969440
  C        12.9073056421       22.7903221550       15.7433759172
  C        13.3229420560       19.1768710931       18.0713097225
  C        13.6020747709       17.6868931227       17.7812420972
  C        14.0079383627       16.9602690389       19.0712116883
  C        12.9429247314       17.1225949234       20.1582895918
  C        12.5922796937       18.5972687362       20.4067245481
  C        12.1987068824       19.3431279856       19.1128274833
  C        16.4846834820       19.6363339684       16.3102076686
  C        16.4875175020       20.8425983877       15.6067212374
  C        17.3382651497       20.6090971356       14.3433066332
  C        16.4639291358       19.6289839982       13.5203931241
  C        16.4662894444       18.4284816701       14.2315512088
  C        17.3370791614       18.6550926896       15.4836848582
  C        18.4032762588       19.6255965445       14.8977226553
  H        14.0442120247       19.7690500878       11.4394966012
  H        12.7282353523       22.2145960620       12.7370701380
  H        14.4222850832       21.6798174803       12.8765271807
  H        14.1099621971       23.4443552823       11.0879223448
  H        14.7191836626       21.9040979606       10.4561336739
  H        12.9621482661       22.7477366302        8.9487265443
  H        11.8219022409       22.8779297333       10.2900170512
  H        11.3771654397       20.8344156264        8.9977374217
  H        13.0599133551       20.3165217476        9.1266715561
  H        11.7008613167       19.0512843328       10.7742004679
  H        11.0807589421       20.5483413883       11.4594522179
  H        11.7107019254       17.4126674977       12.4557038695
  H        13.6292179966       17.6139026761       10.9166206811
  H        14.7633048104       17.2511391857       12.2258012790
  H        12.6949876756       15.3328694282       11.0298651855
  H        14.4533469794       15.2883764613       10.8291914832
  H        13.7423024943       13.6118305908       12.5105659282
  H        14.7411906050       14.8197065366       13.2708941250
  H        11.6703672783       14.8135791199       13.3239489721
  H        12.7450124334       14.4615836083       14.6970850841
  H        11.9041363257       16.8011529845       14.7945478043
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 Rh        12.5413148005        9.7826419965        4.6426158867
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  C        12.7576263011        9.4112777756       16.9694286779
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  C        15.7761553216       12.0391998778       15.2481892365
  C        16.7029599519       13.0122814450       14.8506264691
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  C        16.5157425168       12.2714653409       12.5724358723
  C        15.5710037962       11.3194147508       12.9749184190
  C        16.8543499961       12.3895233327       11.1032620110
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  F        15.7894931779       12.8195743425       10.3415577277
  F        17.2365658173       11.1881245861       10.5576775520
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  F        18.1475631590       14.8395497405       15.4017002426
  F        17.8405908847       13.2562540092       16.9333279892
  C        13.0666896330        9.6349986503       13.5852655822
  C        12.4756500533       10.6653715239       12.8210148043
  C        11.4994902158       10.4154830724       11.8439166595
  C        11.0445979406        9.1141024065       11.6094831227
  C        11.6069950080        8.0805847595       12.3638209459
  C        12.5956137022        8.3334822661       13.3195196160
  C        11.0266094040        6.7031966736       12.2257432147
  F        10.4951071619        6.4949313795       10.9906237410
  F        11.9226453289        5.6941478272       12.4627453193
  F        10.0082010656        6.4997278072       13.1285820558
  C        10.9170306672       11.5314695757       11.0164555065
  F         9.7413122132       11.1781844578       10.4104968697
  F        10.6304312948       12.6561557117       11.7342379356
  F        11.7555550681       11.8892412843        9.9841844019
  C        15.1815197940        8.7395029296       15.0673855141
  C        15.8351914160        8.5563294137       16.3023554062
  C        16.7741733442        7.5347889782       16.4763848667
  C        17.0870516907        6.6641366265       15.4333072126
  C        16.4740748889        6.8385087600       14.2045779574
  C        15.5476970794        7.8760245249       14.0209627296
  C        17.4545181327        7.2238846097       17.7730206052
  F        17.6084333873        8.2999214888       18.6148658265
  F        16.7890477593        6.2518369549       18.4787685248
  F        18.7079571420        6.7223379164       17.5306852712
  C        11.3891751363       13.4301756423       17.4307157173
  F        10.7853109560       13.6702994741       18.6259242201
  F        10.4802673957       13.7351686397       16.4301174940
  F        12.4019648624       14.3418620100       17.3038178079
  F        17.6297093745        4.8779341870       13.4823985295
  F        17.3756898957        6.5302611763       12.0226851730
  F        15.6561445026        5.2713794344       12.6068940792
  C        16.7858912007        5.8886791489       13.0842558835
  H        10.7124626108       11.2829080687       18.9862149794
  H        13.0503049327       12.4798053911       15.5831528848
  H        13.0729165474        8.3796740422       16.8512162464
  H        15.5337649534       11.9376088239       16.3061943023
  H        17.8025930060       13.8971315973       13.2158363931
  H        15.1296135090       10.6741632178       12.2165965554
  H        12.7773167489       11.6947470778       13.0151263512
  H        10.2436395395        8.9093147133       10.9043644888
  H        12.9815327550        7.4805665904       13.8777492351
  H        15.6250077376        9.2356782314       17.1243873587
  H        17.7965747179        5.8623539280       15.6047697308
  H        15.0941311624        8.0116814425       13.0418718083
  F         2.7261189082       18.6303114306       20.0970496589
  C         2.6893576452       18.2744399203       18.7669962331
  F         1.3603751246       18.0112828090       18.4849319258
  F         3.3565221789       17.0893682948       18.6334078428
  C         3.2702797141       19.3520027500       17.8999451039
  C         4.1194537128       19.0270707638       16.8340483423
  C         4.6621340234       20.0049207997       15.9710962505
  C         4.2611181875       21.3241513020       16.2266389113
  C         3.4230575046       21.6503584567       17.2986193752
  C         2.9238987487       20.6800362763       18.1588551409
  C         2.9152055377       23.0445561205       17.4374724018
  F         2.2986001415       23.2896556500       18.6283298746
  F         3.9105021539       23.9693892891       17.3081189748
  F         1.9895613038       23.2913939037       16.4351985724
  B         5.5989686550       19.6251004508       14.6718063904
  C         6.6427768555       18.4114183626       14.9829761373
  C         7.2600669920       18.2816484124       16.2405469716
  C         8.2255626897       17.3035180461       16.4918207776
  C         8.6090666336       16.4047624952       15.5011380941
  C         8.0124563583       16.5188058877       14.2449012919
  C         7.0675306045       17.5245146094       13.9797843213
  C         8.4073086921       15.5846603314       13.1431172828
  F         7.3099753298       15.0287206564       12.5396581452
  F         9.2124518105       14.5631820393       13.5677041459
  F         9.1109369369       16.2363018394       12.1645090827
  C         8.7762747967       17.1538612180       17.8736402147
  F         8.9114789703       18.3709375504       18.4869170604
  F        10.0117195181       16.5641221897       17.8935131305
  F         7.9644981793       16.3874467981       18.6932798547
  C         6.6262172912       20.8291932447       14.2610012144
  C         7.2043901720       21.6741653928       15.2243677961
  C         8.1485530461       22.6463909310       14.8767475542
  C         8.5612993093       22.8063580387       13.5506981406
  C         8.0017569435       21.9720692680       12.5821088539
  C         7.0643314882       20.9946721966       12.9376704763
  C         8.3842450591       22.1118606495       11.1368199254
  F         8.8193867503       20.9009718583       10.6317071353
  F         9.3713330988       23.0304207391       10.9279076253
  F         7.3249685168       22.5102703258       10.3447239168
  C         8.6737556416       23.5828715744       15.9230046774
  F         9.5886920433       24.4631488895       15.4105406165
  F         7.6911091304       24.3555700070       16.5010488866
  F         9.2741688513       22.8827333056       16.9457453097
  C         4.5354911128       19.2705894292       13.4689024716
  C         4.0380345049       17.9723766436       13.2544462095
  C         3.0636491732       17.7092518747       12.2799988088
  C         2.5452834660       18.7214841582       11.4835201492
  C         2.9937289455       20.0291700014       11.6999799131
  C         3.9698068122       20.2901881093       12.6719445564
  C         2.3885886845       21.1335475966       10.8802374828
  F         2.3690448997       20.7833795836        9.5408007982
  F         1.0822081808       21.3991853193       11.2232686047
  F         3.0391004600       22.3233812216       10.9993337723
  C         2.4938518021       16.3274467186       12.1639259708
  F         1.9311281613       16.0521655641       10.9446107051
  F         3.4347355840       15.3687346473       12.3952689028
  F         1.5194332357       16.1214719917       13.1229694872
  H         4.3715258271       17.9805412389       16.6855934143
  H         4.5861099128       22.1137086692       15.5518752580
  H         2.2623858863       20.9751282467       18.9681869004
  H         6.9816676735       18.9426408361       17.0567472331
  H         9.3480820027       15.6415024305       15.7260238409
  H         6.6476462360       17.6365471586       12.9769406862
  H         6.8775497071       21.5986639420       16.2603449703
  H         9.2678247478       23.5884308687       13.2917850421
  H         6.6532289614       20.3489955458       12.1631827450
  H         4.4025496104       17.1338309869       13.8464209520
  H         1.8215210257       18.4517714560       10.7185330890
  H         4.3062244141       21.3159630784       12.8052645363
  F        15.6833423705        1.2793497180       -0.2968186559
  C        15.7182713278        1.6403590924        1.0333945988
  F        17.0489287691        1.8992162435        1.3134293158
  F        15.0530037429        2.8246327613        1.1635598428
  C        15.1384940885        0.5735563442        1.9144092725
  C        14.2980258103        0.9011484917        2.9865048517
  C        13.7816037433       -0.0775368902        3.8615334192
  C        14.2035355995       -1.3969472619        3.6284235438
  C        15.0397645179       -1.7282376320        2.5511752896
  C        15.5031403177       -0.7545875494        1.6685360839
  C        15.5099823730       -3.1403668281        2.3767684126
  F        16.1114747646       -3.3775778327        1.1729252695
  F        14.4982105286       -4.0530306286        2.4906773099
  F        16.4245422211       -3.4511306483        3.3655944372
  B        12.8228439533        0.2679523086        5.1526988418
  C        11.7581144971        1.4754020030        4.8520353787
  C        11.1651578499        1.5907104882        3.5800803554
  C        10.1945424336        2.5599308588        3.2978097399
  C         9.7688858289        3.4516698672        4.2927890794
  C        10.3399161052        3.3485416892        5.5679114446
  C        11.3081852559        2.3712223106        5.8362432773
  C         9.9765160639        4.3075006200        6.6733829176
  F        11.0947272864        4.8750881288        7.2526513495
  F         9.1938539296        5.3397359567        6.2338072749
  F         9.3035484607        3.6813447473        7.6965350912
  C         9.6426630907        2.7370182212        1.9044235377
  F         9.4978708079        1.5417593663        1.2455074089
  F         8.4055623268        3.3411646819        1.9047386281
  F        10.4497763731        3.5247102552        1.1040505254
  C        11.8136813780       -0.9713519448        5.5473612807
  C        11.2612197666       -1.8442378314        4.5899148794
  C        10.3042706162       -2.8083782718        4.9257424224
  C         9.8526930302       -2.9599918923        6.2397681701
  C        10.3714874816       -2.0891985252        7.2043639689
  C        11.3228468518       -1.1206324012        6.8585932166
  C         9.9784515550       -2.1898386201        8.6526310402
  F         9.5878832195       -0.9742191220        9.1642116133
  F         8.9595613927       -3.0598825071        8.8705758876
  F        11.0191340278       -2.6054485862        9.4542301524
  C         9.7534988162       -3.6968270525        3.8487960024
  F         8.8177312942       -4.5647007199        4.3230377758
  F        10.7179035217       -4.4517976472        3.2244042202
  F         9.1389860781       -2.9659666738        2.8535186429
  C        13.8906216405        0.6078916384        6.3456741677
  C        14.3849664690        1.9065915217        6.5685777930
  C        15.3455756954        2.1925096179        7.5507665047
  C        15.8582091478        1.1673723259        8.3448094512
  C        15.4105792170       -0.1356300726        8.1075110819
  C        14.4583602266       -0.4189257674        7.1291312478
  C        16.0222886924       -1.2296951334        8.9221877392
  F        16.0415607650       -0.8749323781       10.2594900025
  F        17.3276798415       -1.4900188802        8.5753963518
  F        15.3709444172       -2.4172270930        8.8002722486
  C        15.9142169449        3.5807015386        7.6513808139
  F        16.4794423216        3.8612707780        8.8645729185
  F        14.9736984784        4.5396206507        7.4054046464
  F        16.8870689516        3.7867718015        6.6819109260
  H        14.0280930949        1.9459089430        3.1315605784
  H        13.8186084912       -2.1771299468        4.2861022976
  H        16.1387823462       -1.0296163412        0.8302663375
  H        11.5084200716        0.9136447976        2.8003736263
  H         9.0302443297        4.2060833403        4.0383779545
  H        11.7516559315        2.3301583195        6.8308620168
  H        11.5829358808       -1.7932617314        3.5509340016
  H         9.1609794143       -3.7611663931        6.4838550224
  H        11.7021790588       -0.4804470444        7.6536439076
  H        14.0102443189        2.7216887162        5.9502845241
  H        16.6126537353        1.3675114266        9.0984507473
  H        14.1577278197       -1.4562470345        6.9793307524
  H        10.7819691068       11.7364143607        4.9220293915
  H        12.3057442115       10.6658196958        3.4090354158
     646
 i =        9, E =         0.0273099371
 Rh         3.6438974765        0.2484699146        4.8312613397
  P         5.3902497556        0.6511860432        6.2890029855
  C         5.2574123537       -0.3052236736        7.8691702903
  C         4.8200707736       -1.7622256918        7.6098561918
  C         4.5009227299       -2.4622501467        8.9385547531
  C         5.6877534362       -2.3588852275        9.9077970559
  C         6.1654721502       -0.9174193718       10.1325748663
  C         6.4751454230       -0.2081924631        8.8088657302
  C         5.6668140834        2.4138557823        6.8002249663
  C         4.6710642695        2.8392811013        7.9036830920
  C         4.7215159085        4.3480386628        8.1844845765
  C         4.5741341534        5.1666981859        6.9032718143
  C         5.6809723928        4.8136904690        5.9144632543
  C         5.5891641881        3.3263566424        5.5504722596
  C         7.0026261558        0.1194952479        5.4999702045
  C         6.9562508453        0.2464513126        3.9704153989
  P         5.3146137068       -0.2489606954        3.2875433830
  C         5.5194376093       -2.0344784803        2.7862539713
  C         4.3813969979       -2.4499632341        1.8313638118
  C         4.3678157629       -3.9569948223        1.5501121285
  C         4.2830779562       -4.7607814208        2.8557231089
  C         5.4771256469       -4.4196723160        3.7586667709
  C         5.5262153813       -2.9042603138        4.0625305680
  C         5.1284838746        0.6981782543        1.7139865392
  C         4.8133242434        2.1977754727        1.9585069851
  C         4.3838120259        2.8489826411        0.6327725195
  C         5.4758843336        2.6758832793       -0.4300852116
  C         5.8749204361        1.2101986247       -0.6425289630
  C         6.2680046502        0.5297347289        0.6802654938
  C         1.9130591135        0.2713297093        3.4793064108
  C         1.9020422786       -0.9530322729        4.1542636154
  C         1.0643271614       -0.7440167190        5.4271181872
  C         1.9365432433        0.2213718038        6.2600513022
  C         1.9301541568        1.4450184406        5.5898355024
  C         1.0671916265        1.2444400876        4.3293287720
  C         0.0051998092        0.2716220598        4.9115150892
  H         4.4176255023        0.1742552255        8.3989919503
  H         5.6124605531       -2.3365458314        7.1067692023
  H         3.9604726501       -1.7708347457        6.9166499901
  H         4.2791466673       -3.5194126653        8.7355115582
  H         3.6071495348       -2.0292045372        9.4135923896
  H         5.4237288015       -2.8031670408       10.8747141051
  H         6.5252948645       -2.9551740042        9.5169250673
  H         7.0726669731       -0.9222616315       10.7554814814
  H         5.4135596384       -0.3293808298       10.6829535079
  H         6.7542623379        0.8361541363        9.0195347021
  H         7.3495333349       -0.6981168226        8.3639163938
  H         6.6873967351        2.4383682356        7.2205963213
  H         4.8874595033        2.2821860764        8.8285413162
  H         3.6467429434        2.5854852740        7.5942264076
  H         5.6773959246        4.5995815771        8.6664574738
  H         3.9226180867        4.6335470491        8.8826264051
  H         4.5995036234        6.2362039921        7.1432338990
  H         3.5857346368        4.9874197688        6.4493094717
  H         6.6571578647        5.0493436681        6.3650140265
  H         5.6022277524        5.4275374365        5.0074084824
  H         6.3810491136        3.0605482308        4.8352367593
  H         4.6329958117        3.1523587562        5.0236339032
  H         7.8360483115        0.7209830780        5.8833190167
  H         7.1730099020       -0.9185871504        5.8219313738
  H         7.7526449500       -0.3268871746        3.4731497202
  H         7.0913139362        1.3013349082        3.6847708090
  H         6.4978436825       -2.1316597999        2.2896468152
  H         4.4271511091       -1.8898156978        0.8870113208
  H         3.4319024683       -2.1785205539        2.3134265194
  H         5.2709254993       -4.2224019836        0.9795850944
  H         3.5257393847       -4.2119089441        0.8925744164
  H         4.2143192252       -5.8316902381        2.6137495411
  H         3.3484127430       -4.5246741609        3.3843496981
  H         5.4517921847       -4.9594174896        4.7188456706
  H         6.3832540599       -4.7374469854        3.2233793167
  H         6.4075658489       -2.6545623533        4.6711013089
  H         4.6552737776       -2.6002579595        4.6702697060
  H         4.2288936712        0.2064681815        1.3108188816
  H         5.7037033805        2.7052127731        2.3649031613
  H         4.0296795505        2.3269051295        2.7225657280
  H         4.1907444783        3.9265787917        0.7458487197
  H         3.4333321259        2.3874726678        0.3218968596
  H         6.3372966496        3.2666045731       -0.0797368641
  H         5.1453986297        3.1028409312       -1.3860572185
  H         6.6794782335        1.1195775407       -1.3913504180
  H         5.0175681853        0.6628063546       -1.0628616464
  H         7.1799099427        1.0010299888        1.0707184971
  H         6.4832913157       -0.5309346465        0.4878927164
  H         2.2023344375        0.4484253421        2.4490827411
  H         2.1627349826       -1.9282555593        3.7517159173
  H         0.7325234961       -1.6484543119        5.9428017749
  H         2.1876859201        0.0928251456        7.3041837013
  H         2.1738427526        2.4108877268        6.0283024398
  H         0.7358256719        2.1558715280        3.8251960104
  H        -0.5463385015        0.7323310491        5.7385481991
  H        -0.6740067229       -0.1333009311        4.1574694552
 Rh        14.7485507796       19.6407303645       14.9435017462
  P        12.9882073715       19.2184758774       13.4804858019
  C        13.1544232284       20.2117815788       11.9307490521
  C        13.5343084033       21.6770904397       12.2201153809
  C        13.8405362537       22.3926638319       10.9004601467
  C        12.6756804857       22.2964057488        9.9106977686
  C        12.2543030630       20.8420597531        9.6618399478
  C        11.9556827909       20.0981779594       10.9743171403
  C        12.7122489201       17.4673006519       12.9027996122
  C        13.7476614103       17.0433937327       11.8460957407
  C        13.6474399226       15.5435528517       11.5318073549
  C        13.7635020069       14.6775557846       12.7881688792
  C        12.6514816135       15.0424662353       13.7699248305
  C        12.7359803092       16.5338946886       14.1315076033
  C        11.3680393414       19.7276951765       14.2736360944
  C        11.4610505615       19.6475598605       15.8073785627
  P        13.1095337480       20.1401497613       16.4968894203
  C        12.8996307739       21.9152546400       17.0066864116
  C        14.0055744717       22.3315671406       17.9970978132
  C        14.0410947268       23.8494341334       18.2445505338
  C        14.0843241841       24.6506132956       16.9426847022
  C        12.8845102235       24.2876841606       16.0720921918
  C        12.9149203788       22.7894625344       15.7418567402
  C        13.3213855453       19.1784293110       18.0738472345
  C        13.6001359804       17.6885176877       17.7820296385
  C        14.0084317835       16.9610640623       19.0706151078
  C        12.9458214508       17.1230616770       20.1594129726
  C        12.5920611171       18.5969083942       20.4080030486
  C        12.1962437514       19.3440938744       19.1150118786
  C        16.4818532630       19.6372851396       16.3103999150
  C        16.4865272381       20.8431891300       15.6065674710
  C        17.3393749988       20.6085041775       14.3447413999
  C        16.4656632590       19.6273017058       13.5212590088
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 Rh        12.5446684122        9.7774811209        4.6440552530
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  F         9.9757130404        8.3843525855       18.4786803678
  C        11.2691854815        8.6544096217       18.8568463713
  F        11.9379215297        7.4702730984       18.8351090141
  F        11.2171562191        9.0217791140       20.1764891129
  C        11.8583642691        9.7298878947       17.9949328278
  C        11.4135527675       11.0399681518       18.1934538210
  C        11.8804914467       12.0196683310       17.3169369755
  C        12.7646019548       11.6923471695       16.2794470405
  C        13.2473958623       10.3898131237       16.0818860783
  C        12.7585980362        9.4133361421       16.9726580964
  B        14.1577765106        9.9817934300       14.7816656631
  C        15.1699394907       11.1790873442       14.3209333059
  C        15.7778303090       12.0368753916       15.2514722462
  C        16.7029150771       13.0108198102       14.8523934191
  C        17.0890217715       13.1330583335       13.5140771060
  C        16.5147643361       12.2705057237       12.5734231138
  C        15.5693015392       11.3196181758       12.9771293015
  C        16.8533167160       12.3893321909       11.1035902219
  F        17.8595041882       13.2700210996       10.8524870692
  F        15.7876474396       12.8194568295       10.3419093034
  F        17.2361334804       11.1884292593       10.5572510365
  C        17.2406200359       13.9434655533       15.8988154705
  F        16.2465914906       14.6750719498       16.4946161112
  F        18.1473716055       14.8395861932       15.4011970929
  F        17.8408010011       13.2564719396       16.9333357639
  C        13.0679117773        9.6334008397       13.5853114466
  C        12.4767408009       10.6642561022       12.8216880987
  C        11.5002206561       10.4156128017       11.8440317550
  C        11.0429088170        9.1148886919       11.6108212994
  C        11.6073972493        8.0805234474       12.3621819366
  C        12.5987741438        8.3317200187       13.3158663103
  C        11.0264879475        6.7032449796       12.2250863284
  F        10.4948314106        6.4949687904       10.9901996877
  F        11.9225876280        5.6942492373       12.4623454152
  F        10.0082838349        6.4998910824       13.1282852418
  C        10.9174078803       11.5316512445       11.0165982236
  F         9.7414865663       11.1783154876       10.4106012919
  F        10.6303593133       12.6563388937       11.7341848923
  F        11.7553210072       11.8894497162        9.9840761375
  C        15.1816108451        8.7408564946       15.0693328318
  C        15.8368177911        8.5590946924       16.3035515937
  C        16.7745880630        7.5374728007       16.4769348497
  C        17.0872611979        6.6661584574       15.4340571223
  C        16.4740284333        6.8402779753       14.2045159779
  C        15.5475016660        7.8775861049       14.0224635727
  C        17.4551609362        7.2269543688       17.7732523798
  F        17.6090020753        8.3065194370       18.6133031405
  F        16.7897543585        6.2533902189       18.4782928738
  F        18.7078982899        6.7233242660       17.5305891666
  C        11.3888317857       13.4307283539       17.4311224079
  F        10.7851783607       13.6706597938       18.6261121034
  F        10.4801833618       13.7352992575       16.4300065669
  F        12.4019367413       14.3419550239       17.3036630225
  F        17.6295799991        4.8785086546       13.4819027298
  F        17.3755526561        6.5306071844       12.0221374904
  F        15.6561515391        5.2718179076       12.6065503829
  C        16.7859318317        5.8895723481       13.0841250252
  H        10.7079190555       11.2831933633       18.9859239435
  H        13.0447316558       12.4802301810       15.5825214199
  H        13.0757908760        8.3821928494       16.8560536906
  H        15.5392752092       11.9320509341       16.3102452890
  H        17.8021025013       13.8954358408       13.2181289773
  H        15.1253247045       10.6750661201       12.2196448172
  H        12.7780688279       11.6931823917       13.0187290124
  H        10.2368830841        8.9113974927       10.9107976370
  H        12.9859753185        7.4761979607       13.8693934613
  H        15.6289841973        9.2409526431       17.1241538866
  H        17.7965003227        5.8650340378       15.6069363707
  H        15.0923659061        8.0151407099       13.0441271514
  F         2.7261805291       18.6302085413       20.0979071988
  C         2.6892505924       18.2756245664       18.7680750207
  F         1.3605619682       18.0113350397       18.4854439715
  F         3.3565305929       17.0899939379       18.6336578657
  C         3.2702970555       19.3549028870       17.9024025819
  C         4.1189371410       19.0292310029       16.8358795520
  C         4.6623894041       20.0055406854       15.9715761537
  C         4.2617639984       21.3250592728       16.2257844513
  C         3.4256991039       21.6521612557       17.2990147834
  C         2.9269075247       20.6838851614       18.1612919341
  C         2.9160982597       23.0453225908       17.4376455509
  F         2.2987507972       23.2896099804       18.6286626208
  F         3.9106151275       23.9703572979       17.3085388840
  F         1.9896037001       23.2912764952       16.4358432088
  B         5.5997453405       19.6254290200       14.6721388236
  C         6.6456891892       18.4142329762       14.9826829410
  C         7.2640413435       18.2849800387       16.2396603895
  C         8.2280994797       17.3060093549       16.4908213506
  C         8.6097029369       16.4062528158       15.5002101921
  C         8.0130016982       16.5206321685       14.2437913416
  C         7.0701616513       17.5282951116       13.9783668200
  C         8.4070661533       15.5850278483       13.1428718274
  F         7.3096799020       15.0288004886       12.5397657717
  F         9.2121300184       14.5633852717       13.5677000603
  F         9.1107187927       16.2363585751       12.1641969831
  C         8.7772023073       17.1545586527       17.8730481231
  F         8.9116814689       18.3711093961       18.4871095346
  F        10.0120330104       16.5641173897       17.8935138502
  F         7.9649192957       16.3878855033       18.6925979230
  C         6.6276842494       20.8283062959       14.2620832137
  C         7.2056041098       21.6720405529       15.2263175839
  C         8.1509412902       22.6431823130       14.8791284878
  C         8.5647731811       22.8029784522       13.5532528672
  C         8.0037964132       21.9705937838       12.5834682610
  C         7.0660529510       20.9937213994       12.9391179354
  C         8.3843056650       22.1117255709       11.1375204711
  F         8.8190051161       20.9009930574       10.6317589546
  F         9.3709144889       23.0305742757       10.9280683585
  F         7.3246006782       22.5101986744       10.3454761942
  C         8.6742410580       23.5821511509       15.9240687320
  F         9.5884384637       24.4629972218       15.4108398444
  F         7.6910484843       24.3551742733       16.5011295763
  F         9.2744674534       22.8827989890       16.9468162366
  C         4.5375910771       19.2689977707       13.4684824020
  C         4.0400817530       17.9704290218       13.2549989211
  C         3.0658258955       17.7076725475       12.2807282695
  C         2.5478505375       18.7189814043       11.4827787320
  C         2.9949058927       20.0274739217       11.6991965433
  C         3.9717102737       20.2879961418       12.6705279470
  C         2.3886676823       21.1326907565       10.8804595882
  F         2.3685118629       20.7832767359        9.5410225308
  F         1.0821778811       21.3988535604       11.2238993870
  F         3.0386752937       22.3230438550       10.9998422242
  C         2.4943176846       16.3267144664       12.1645296053
  F         1.9309026275       16.0520582604       10.9452928731
  F         3.4346914078       15.3676765308       12.3956812629
  F         1.5194349267       16.1214074023       13.1234148499
  H         4.3694526842       17.9820735852       16.6894561568
  H         4.5845663016       22.1127888230       15.5480560087
  H         2.2670062044       20.9839705430       18.9702210355
  H         6.9867947576       18.9458063966       17.0563207751
  H         9.3477482269       15.6428475507       15.7269188649
  H         6.6505602259       17.6450641700       12.9755906123
  H         6.8744859824       21.5981493053       16.2610637799
  H         9.2713920642       23.5857939777       13.2966765023
  H         6.6532754398       20.3488159396       12.1649798525
  H         4.4042227337       17.1310448460       13.8463084088
  H         1.8274178423       18.4439441467       10.7166630824
  H         4.3099657788       21.3133682095       12.8025733396
  F        15.6825866537        1.2796556555       -0.2975933199
  C        15.7174383458        1.6404152738        1.0324285207
  F        17.0480828757        1.8995388890        1.3127050616
  F        15.0523069489        2.8248754064        1.1629054552
  C        15.1377240008        0.5736466676        1.9138127066
  C        14.2999951536        0.9032314434        2.9878385332
  C        13.7837945912       -0.0745430201        3.8641533229
  C        14.2052448419       -1.3941862737        3.6324464145
  C        15.0387983344       -1.7275876892        2.5533812177
  C        15.4993568398       -0.7552723974        1.6677364027
  C        15.5091373777       -3.1398102794        2.3771825479
  F        16.1105949082       -3.3768450284        1.1727101576
  F        14.4976236894       -4.0527511272        2.4901618931
  F        16.4241562080       -3.4508625214        3.3651197684
  B        12.8231049074        0.2671707736        5.1553564317
  C        11.7556572967        1.4725981779        4.8565878215
  C        11.1641495634        1.5853514906        3.5838292488
  C        10.1939038194        2.5547079833        3.2985533944
  C         9.7667633516        3.4468673508        4.2925026978
  C        10.3365557038        3.3463342618        5.5684668024
  C        11.3051025246        2.3695979173        5.8392467281
  C         9.9750629744        4.3071726050        6.6730617736
  F        11.0939314037        4.8749563344        7.2519233332
  F         9.1932819550        5.3398770713        6.2335207157
  F         9.3029863168        3.6815119580        7.6966968604
  C         9.6426591587        2.7352809898        1.9045951335
  F         9.4972407508        1.5414315802        1.2449054406
  F         8.4054787925        3.3410291929        1.9047863601
  F        10.4490904339        3.5244975255        1.1043836354
  C        11.8147191260       -0.9740262659        5.5477314768
  C        11.2638700275       -1.8476963350        4.5900762419
  C        10.3044359002       -2.8094878642        4.9248785166
  C         9.8506638854       -2.9616950771        6.2378063686
  C        10.3685556616       -2.0907831002        7.2029807231
  C        11.3206413534       -1.1226980552        6.8579044284
  C         9.9773531456       -2.1903935536        8.6519031211
  F         9.5877502788       -0.9742806953        9.1637884452
  F         8.9588455548       -3.0601197152        8.8705070670
  F        11.0188176113       -2.6053005121        9.4534160452
  C         9.7533347577       -3.6971567296        3.8480483834
  F         8.8173371909       -4.5646362841        4.3225353491
  F        10.7175689316       -4.4517766858        3.2237722352
  F         9.1385346523       -2.9658004724        2.8531821684
  C        13.8902728586        0.6061412654        6.3481531762
  C        14.3843357824        1.9051842682        6.5707173375
  C        15.3440350583        2.1923614222        7.5537802945
  C        15.8549646992        1.1672370725        8.3487753401
  C        15.4094051714       -0.1360136827        8.1095410715
  C        14.4587897825       -0.4208864408        7.1302280259
  C        16.0221437005       -1.2298479282        8.9225339386
  F        16.0416236965       -0.8748849351       10.2594645508
  F        17.3274239033       -1.4897326906        8.5747068409
  F        15.3708901576       -2.4172541611        8.7998102016
  C        15.9134022547        3.5808357342        7.6522114255
  F        16.4793084448        3.8617184287        8.8646603208
  F        14.9731547440        4.5399275418        7.4051167299
  F        16.8862433689        3.7867855838        6.6819148321
  H        14.0310210754        1.9485167884        3.1309922880
  H        13.8173777444       -2.1712248184        4.2920902977
  H        16.1300381332       -1.0333395190        0.8264983286
  H        11.5122887830        0.9068193796        2.8076570664
  H         9.0284391563        4.2000940541        4.0327817927
  H        11.7502388732        2.3323293035        6.8333812020
  H        11.5894029850       -1.8009874073        3.5521713531
  H         9.1613040278       -3.7660252341        6.4786177523
  H        11.6991385586       -0.4841925119        7.6546585901
  H        14.0104723918        2.7190867439        5.9503152695
  H        16.6086428848        1.3660957486        9.1036538747
  H        14.1613366604       -1.4590470102        6.9789014257
  H        10.7790950092       11.7406745411        4.9144102545
  H        12.2977658081       10.6609704678        3.4132020554
     646
 i =       10, E =         0.0288373722
 Rh         3.6420052996        0.2493814334        4.8305911544
  P         5.3884652613        0.6500387437        6.2881242594
  C         5.2600285564       -0.3043251095        7.8698957146
  C         4.8182903807       -1.7601377032        7.6112741699
  C         4.4998141189       -2.4596127962        8.9402738331
  C         5.6869694131       -2.3527385623        9.9089406143
  C         6.1663531963       -0.9118682638       10.1337147475
  C         6.4783268433       -0.2054075270        8.8094303418
  C         5.6656511056        2.4122432057        6.7988031094
  C         4.6713278950        2.8369935496        7.9042447253
  C         4.7177707276        4.3462432878        8.1832102872
  C         4.5722812006        5.1634623943        6.9009950036
  C         5.6835807519        4.8125234346        5.9167847789
  C         5.5883866301        3.3261617617        5.5497588564
  C         7.0006339156        0.1175301433        5.4980825245
  C         6.9535849404        0.2447872661        3.9689804554
  P         5.3135246428       -0.2491564688        3.2856474698
  C         5.5186190226       -2.0348248720        2.7832376751
  C         4.3794878559       -2.4505401497        1.8298216258
  C         4.3689147103       -3.9568347939        1.5446175823
  C         4.2802064813       -4.7615616077        2.8497364453
  C         5.4716823908       -4.4201495045        3.7564969379
  C         5.5216455521       -2.9039968162        4.0597726003
  C         5.1336877344        0.6997624260        1.7130506417
  C         4.8183635738        2.2002105199        1.9574348364
  C         4.3844678253        2.8480404069        0.6312878881
  C         5.4749263355        2.6731884071       -0.4327682514
  C         5.8779470218        1.2086844456       -0.6439281221
  C         6.2746664141        0.5318044829        0.6795588483
  C         1.9128578154        0.2714881576        3.4784716303
  C         1.9021774044       -0.9544548082        4.1505864352
  C         1.0637381718       -0.7489947140        5.4230690000
  C         1.9337538441        0.2166537073        6.2584540965
  C         1.9253456833        1.4420979425        5.5913871513
  C         1.0645464687        1.2418684624        4.3289879559
  C         0.0036206680        0.2676213370        4.9109108072
  H         4.4219689655        0.1750024467        8.4025750104
  H         5.6066137237       -2.3392099485        7.1073043901
  H         3.9583397533       -1.7645398561        6.9182523996
  H         4.2833736030       -3.5177703574        8.7362498259
  H         3.6044671947       -2.0311868074        9.4165184732
  H         5.4243319146       -2.7962764256       10.8763500353
  H         6.5247855421       -2.9481756945        9.5172618129
  H         7.0740786711       -0.9195348051       10.7560340456
  H         5.4172624244       -0.3200827327       10.6841545420
  H         6.7571313670        0.8392460125        9.0200702955
  H         7.3540175141       -0.6968792618        8.3688495695
  H         6.6866317682        2.4331843610        7.2184767492
  H         4.8921217053        2.2812962272        8.8290673376
  H         3.6468857492        2.5805381144        7.5974717327
  H         5.6716465116        4.6003584027        8.6677506763
  H         3.9155300452        4.6325177405        8.8771862378
  H         4.5941869910        6.2329596966        7.1406689564
  H         3.5857012052        4.9811938362        6.4438292046
  H         6.6574725411        5.0447283217        6.3742578573
  H         5.6112867101        5.4303486911        5.0118656930
  H         6.3778324041        3.0588040693        4.8324844584
  H         4.6304854600        3.1567423680        5.0242771863
  H         7.8342861852        0.7205316058        5.8779866392
  H         7.1714276844       -0.9198751100        5.8218896892
  H         7.7495290530       -0.3266523781        3.4687915855
  H         7.0864824999        1.3005155747        3.6851444662
  H         6.4980925918       -2.1327552863        2.2889191429
  H         4.4173505881       -1.8863666948        0.8876008698
  H         3.4322893024       -2.1851398472        2.3198140145
  H         5.2733960457       -4.2193884092        0.9747899806
  H         3.5292380634       -4.2130368380        0.8844268345
  H         4.2100819931       -5.8320636865        2.6060735283
  H         3.3439208870       -4.5252930639        3.3753828836
  H         5.4452182603       -4.9587061391        4.7173158243
  H         6.3775214399       -4.7394577639        3.2219383371
  H         6.4009501413       -2.6535612967        4.6708699533
  H         4.6496562655       -2.5965287341        4.6645259076
  H         4.2355235280        0.2062828901        1.3090685206
  H         5.7098277955        2.7083002696        2.3610918125
  H         4.0371602330        2.3318362114        2.7236152360
  H         4.1936105327        3.9267390835        0.7384902222
  H         3.4324044528        2.3855809745        0.3268098658
  H         6.3334382935        3.2675352791       -0.0812219099
  H         5.1431897386        3.0974785031       -1.3892440951
  H         6.6795546410        1.1187117369       -1.3962758811
  H         5.0209464951        0.6578668940       -1.0602785905
  H         7.1852326310        1.0068860840        1.0685760390
  H         6.4927171340       -0.5284062469        0.4877485079
  H         2.2078257578        0.4522794276        2.4505502742
  H         2.1646057313       -1.9283595781        3.7460623337
  H         0.7333166769       -1.6547903169        5.9373421391
  H         2.1806668161        0.0900804668        7.3036823955
  H         2.1605995984        2.4070888618        6.0369295281
  H         0.7324485665        2.1531810889        3.8250392392
  H        -0.5427870462        0.7276812475        5.7419069714
  H        -0.6794840832       -0.1339095801        4.1587125902
 Rh        14.7481960476       19.6411653838       14.9422914997
  P        12.9851049169       19.2184555232       13.4800159741
  C        13.1507696442       20.2121318470       11.9313419437
  C        13.5320936619       21.6768396308       12.2218475151
  C        13.8386233491       22.3904379296       10.9016091959
  C        12.6749476069       22.2935345277        9.9107808432
  C        12.2546190979       20.8391495474        9.6610041279
  C        11.9534234932       20.0963018609       10.9732868972
  C        12.7089738303       17.4680787238       12.8997716850
  C        13.7438406271       17.0440029794       11.8430019418
  C        13.6434694214       15.5436137882       11.5320804883
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  F         1.8866834505       13.1598915321        1.0962161104
  F        -0.1617392238       12.9030540351        1.9101912778
  C         6.8198533019        6.3978547921        2.2134287617
  F         7.6123414128        6.2370237906        1.1095751151
  F         7.4953374848        5.8844207537        3.2989310309
  F         5.7197594219        5.5766337722        2.0540591694
  F         0.7741247022       15.0339163575        6.2420825012
  F         0.9590599604       13.3787481945        7.7045002577
  F         2.7391852418       14.5653603668        7.1206390299
  C         1.5771348741       13.9994881982        6.6438078596
  H         7.7076366646        8.6033702025        0.8607943771
  H         5.1278990041        7.3360664574        4.0496681430
  H         5.4639962281       11.5340858586        3.0601666483
  H         2.8274099083        7.9541005121        3.5985394766
  H         0.6276895600        5.9762586097        6.7724958453
  H         3.3465590953        9.2440504634        7.6075449797
  H         5.6362064170        8.1535641287        6.7786707629
  H         8.0312515729       10.8749477807        9.0750151616
  H         5.4592253521       12.3596047547        5.9534028038
  H         2.8776654191       10.6014467789        2.7293799093
  H         0.5603358274       13.9529360160        4.0527933574
  H         3.2322665302       11.9438185470        6.7932819635
  F         9.9756236422        8.3842888830       18.4785933396
  C        11.2689618624        8.6546060365       18.8569848450
  F        11.9380487643        7.4706172476       18.8347920034
  F        11.2173364751        9.0217277352       20.1766500268
  C        11.8570914401        9.7313080143       17.9963786696
  C        11.4110477132       11.0405139681       18.1944422474
  C        11.8791336331       12.0202274888       17.3184986722
  C        12.7631864016       11.6929110569       16.2805804454
  C        13.2473900720       10.3911423617       16.0839551875
  C        12.7597189135        9.4151669676       16.9757926011
  B        14.1574708381        9.9817479360       14.7837668530
  C        15.1698837892       11.1787098842       14.3235861610
  C        15.7795275347       12.0344754162       15.2547685407
  C        16.7030242619       13.0093982119       14.8539714907
  C        17.0881626488       13.1315157267       13.5155723487
  C        16.5138420551       12.2697327636       12.5744610554
  C        15.5675572091       11.3198309562       12.9792432255
  C        16.8522179678       12.3891422162       11.1038688320
  F        17.8586271091       13.2700279528       10.8522036370
  F        15.7855038655       12.8193254352       10.3423138762
  F        17.2356872342       11.1887772473       10.5568164301
  C        17.2407005207       13.9432579609       15.8990368506
  F        16.2465992400       14.6752734073       16.4942544598
  F        18.1471674579       14.8396237334       15.4006796209
  F        17.8410079430       13.2567096744       16.9333325131
  C        13.0691343418        9.6317967221       13.5853825880
  C        12.4775531255       10.6632351503       12.8222100677
  C        11.5009602300       10.4158308946       11.8443950307
  C        11.0410315912        9.1156658791       11.6121517189
  C        11.6079559981        8.0804120904       12.3608139631
  C        12.6017381689        8.3298334093       13.3121185568
  C        11.0263472142        6.7033187255       12.2244053854
  F        10.4945421547        6.4949870337       10.9897686253
  F        11.9225279944        5.6943379694       12.4619535301
  F        10.0083469279        6.5000373154       13.1280045691
  C        10.9177153182       11.5317747103       11.0167695383
  F         9.7415966775       11.1784610386       10.4106869942
  F        10.6302525190       12.6565554862       11.7341418801
  F        11.7550662016       11.8896611386        9.9840009334
  C        15.1818801316        8.7421221907       15.0714440745
  C        15.8379902678        8.5623745669       16.3044783093
  C        16.7754720020        7.5397415489       16.4774081374
  C        17.0869737593        6.6685536840       15.4344427995
  C        16.4745651410        6.8415801102       14.2052038898
  C        15.5469671637        7.8795196597       14.0238990644
  C        17.4558772387        7.2301951624       17.7735843153
  F        17.6097905915        8.3103541640       18.6123957081
  F        16.7904679456        6.2551367101       18.4777441525
  F        18.7078727349        6.7244187645       17.5304378122
  C        11.3884718101       13.4313212168       17.4314952941
  F        10.7850603653       13.6710098854       18.6262797247
  F        10.4801134807       13.7354235012       16.4299144997
  F        12.4018965597       14.3420243371       17.3035169071
  F        17.6294573401        4.8791028835       13.4814632444
  F        17.3754416182        6.5309555983       12.0215992620
  F        15.6561388679        5.2722268363       12.6062084347
  C        16.7859052542        5.8904698853       13.0838694874
  H        10.7033801360       11.2835105079       18.9855989659
  H        13.0392804657       12.4807113057       15.5819173992
  H        13.0787071372        8.3847158981       16.8609808344
  H        15.5447860144       11.9265728380       16.3141541760
  H        17.8016372456       13.8937988330       13.2203697835
  H        15.1210257957       10.6759962059       12.2226949372
  H        12.7787929802       11.6916598154       13.0222358244
  H        10.2302766544        8.9135530230       10.9173061388
  H        12.9905518453        7.4719338014       13.8610619000
  H        15.6330098179        9.2461314804       17.1239330067
  H        17.7965475397        5.8675254112       15.6090311187
  H        15.0907124055        8.0185286762       13.0463519011
  F         2.7262432557       18.6301015511       20.0988109402
  C         2.6891847947       18.2768364891       18.7691301452
  F         1.3607538018       18.0113896724       18.4859614899
  F         3.3565528713       17.0905763796       18.6339287872
  C         3.2704657854       19.3577456827       17.9047784566
  C         4.1184318944       19.0312680309       16.8378694225
  C         4.6626897687       20.0062800809       15.9720142568
  C         4.2622336184       21.3259661757       16.2249877405
  C         3.4283429094       21.6540095491       17.2991382408
  C         2.9298387463       20.6875229976       18.1637959500
  C         2.9169392500       23.0460842262       17.4378190638
  F         2.2988930461       23.2895876278       18.6289836044
  F         3.9106974648       23.9713845791       17.3089657880
  F         1.9896503078       23.2911782384       16.4364861707
  B         5.6004917881       19.6257358028       14.6724503071
  C         6.6485915716       18.4169500522       14.9823871523
  C         7.2677811339       18.2884295965       16.2388644273
  C         8.2307379304       17.3081052876       16.4897404645
  C         8.6101909213       16.4079434757       15.4993999035
  C         8.0138482465       16.5224058796       14.2428215099
  C         7.0727105250       17.5322855448       13.9770360953
  C         8.4068472074       15.5854487471       13.1425375964
  F         7.3094216685       15.0289179156       12.5399120588
  F         9.2118073129       14.5636318937       13.5677073456
  F         9.1105096864       16.2364297271       12.1638606941
  C         8.7780915132       17.1552729062       17.8725257308
  F         8.9118934437       18.3712903181       18.4873166770
  F        10.0123398437       16.5641147858       17.8934973049
  F         7.9653377598       16.3883154931       18.6919283050
  C         6.6290730604       20.8275250775       14.2631671851
  C         7.2066590340       21.6700520759       15.2282342716
  C         8.1532098874       22.6401724033       14.8813942025
  C         8.5681550060       22.7996124961       13.5556981148
  C         8.0058930928       21.9691721617       12.5848823789
  C         7.0677352639       20.9927778373       12.9405116060
  C         8.3843565768       22.1115720878       11.1382127635
  F         8.8186371228       20.9009933489       10.6317906324
  F         9.3705049715       23.0307295208       10.9282212293
  F         7.3242390071       22.5101203875       10.3462575028
  C         8.6746765578       23.5814820244       15.9251258294
  F         9.5881756826       24.4628576227       15.4111260404
  F         7.6909796587       24.3547976406       16.5012090652
  F         9.2747547095       22.8829067168       16.9478998821
  C         4.5395785481       19.2674307654       13.4680356476
  C         4.0422568342       17.9685707159       13.2557036253
  C         3.0677865608       17.7061868218       12.2811589274
  C         2.5506003516       18.7164659999       11.4821695749
  C         2.9959198833       20.0255706002       11.6982065538
  C         3.9737824581       20.2858229894       12.6693011879
  C         2.3887816171       21.1318786360       10.8806649144
  F         2.3679845046       20.7831637662        9.5412620712
  F         1.0821722781       21.3984927228       11.2245382109
  F         3.0382397069       22.3226914858       11.0003463956
  C         2.4948307952       16.3258832701       12.1651767582
  F         1.9306780337       16.0519555793       10.9460159121
  F         3.4346306906       15.3664714916       12.3961091935
  F         1.5194350439       16.1213496793       13.1238711918
  H         4.3674463367       17.9835709485       16.6932078239
  H         4.5829948633       22.1119125606       15.5443223797
  H         2.2717527551       20.9925599335       18.9723031675
  H         6.9919122327       18.9491522902       17.0558708671
  H         9.3474261199       15.6440301100       15.7276255086
  H         6.6536800203       17.6533708187       12.9743188777
  H         6.8715873580       21.5976708856       16.2617794787
  H         9.2750691355       23.5830526746       13.3014373579
  H         6.6534015769       20.3486987408       12.1667382199
  H         4.4059912239       17.1283700918       13.8462882694
  H         1.8332290673       18.4364658235       10.7146955463
  H         4.3136516176       21.3107338600       12.7998486047
  F        15.6818153764        1.2799622525       -0.2983446536
  C        15.7166165746        1.6404573779        1.0314824093
  F        17.0472270466        1.8998711768        1.3119913430
  F        15.0515938852        2.8251166212        1.1622627629
  C        15.1368324031        0.5739468758        1.9134117589
  C        14.3019309573        0.9052409527        2.9891467906
  C        13.7858238282       -0.0715619559        3.8667219094
  C        14.2069320953       -1.3915105784        3.6362845484
  C        15.0376784162       -1.7269947858        2.5556303851
  C        15.4956292675       -0.7559883524        1.6668460515
  C        15.5082793904       -3.1392258325        2.3775711585
  F        16.1097003321       -3.3761049310        1.1724878521
  F        14.4970159233       -4.0524854104        2.4896623189
  F        16.4237431191       -3.4505896617        3.3646482799
  B        12.8232816165        0.2663069210        5.1580038039
  C        11.7532954878        1.4698016426        4.8611242624
  C        11.1630500080        1.5801480395        3.5874367222
  C        10.1933762510        2.5494113176        3.2992567154
  C         9.7645673376        3.4422308031        4.2922182855
  C        10.3334737945        3.3440474425        5.5691568831
  C        11.3020028896        2.3681231906        5.8421682177
  C         9.9736135517        4.3068503555        6.6726842036
  F        11.0931203518        4.8748215416        7.2511834674
  F         9.1927061454        5.3400172667        6.2332510726
  F         9.3024293887        3.6816836288        7.6968457726
  C         9.6426284190        2.7336190665        1.9048077362
  F         9.4966018980        1.5411095545        1.2443152459
  F         8.4053595016        3.3408979367        1.9048358869
  F        10.4483938680        3.5242695659        1.1047352397
  C        11.8157468020       -0.9767533915        5.5481087626
  C        11.2665752757       -1.8511850132        4.5903064221
  C        10.3046665027       -2.8106634052        4.9239607765
  C         9.8486991338       -2.9634683088        6.2359585254
  C        10.3657944895       -2.0924119522        7.2017103866
  C        11.3185447577       -1.1248172415        6.8571960241
  C         9.9762714301       -2.1909879921        8.6511977743
  F         9.5876222012       -0.9743436502        9.1633600959
  F         8.9581122855       -3.0603460376        8.8704460478
  F        11.0185114675       -2.6051552939        9.4526161205
  C         9.7531529695       -3.6975146296        3.8473139561
  F         8.8169239550       -4.5645775452        4.3220362133
  F        10.7172271841       -4.4517552459        3.2231439860
  F         9.1380833197       -2.9656303483        2.8528687402
  C        13.8897737357        0.6045067643        6.3505916822
  C        14.3837608247        1.9037597952        6.5729600012
  C        15.3423910839        2.1923441271        7.5564471736
  C        15.8519584516        1.1669830393        8.3528977250
  C        15.4081432650       -0.1364305761        8.1114350291
  C        14.4593827678       -0.4228009665        7.1315665625
  C        16.0220251841       -1.2299126315        8.9228883076
  F        16.0416915773       -0.8748468363       10.2594752679
  F        17.3271954170       -1.4894677672        8.5740293837
  F        15.3708247884       -2.4173101730        8.7993496691
  C        15.9126449399        3.5809008064        7.6529873530
  F        16.4791588842        3.8621584616        8.8646601452
  F        14.9726011962        4.5401791889        7.4048052389
  F        16.8853961711        3.7868070899        6.6818639445
  H        14.0339934352        1.9511704191        3.1305626428
  H        13.8165151419       -2.1654741620        4.2980801057
  H        16.1211908238       -1.0369394028        0.8227826454
  H        11.5159057494        0.8999816078        2.8148248589
  H         9.0266594920        4.1940847734        4.0275390024
  H        11.7486809829        2.3344779784        6.8359207345
  H        11.5959360298       -1.8086900701        3.5534506785
  H         9.1615296496       -3.7706466568        6.4735780602
  H        11.6961063311       -0.4878207502        7.6556276944
  H        14.0106589192        2.7165521162        5.9503884729
  H        16.6045127205        1.3647840838        9.1089527959
  H        14.1649245290       -1.4617503147        6.9784908330
  H        10.7760175711       11.7449139989        4.9068294268
  H        12.2893600337       10.6558769301        3.4172360436
     646
 i =       11, E =         0.0297605441
 Rh         3.6401178623        0.2501951162        4.8299774163
  P         5.3867172956        0.6488966024        6.2872500282
  C         5.2626266875       -0.3034055992        7.8706275593
  C         4.8165391312       -1.7580289290        7.6127448376
  C         4.4987481874       -2.4569692502        8.9420490455
  C         5.6861868818       -2.3465874876        9.9101874277
  C         6.1672582233       -0.9062979305       10.1348735972
  C         6.4815077272       -0.2026220433        8.8099597831
  C         5.6645041425        2.4106465473        6.7973757604
  C         4.6715942704        2.8347146768        7.9047708540
  C         4.7139604161        4.3444440318        8.1819218425
  C         4.5704346456        5.1602604515        6.8987251696
  C         5.6862075761        4.8113363272        5.9191530268
  C         5.5876363320        3.3259597392        5.5490612873
  C         6.9986930449        0.1155861437        5.4962348901
  C         6.9509537822        0.2431396757        3.9675737965
  P         5.3124236430       -0.2493433540        3.2837654044
  C         5.5177548891       -2.0351503336        2.7802124925
  C         4.3775308965       -2.4510964754        1.8282738090
  C         4.3699987047       -3.9566433615        1.5390832509
  C         4.2772940619       -4.7623130037        2.8436907606
  C         5.4661907522       -4.4206088034        3.7542748303
  C         5.5170269217       -2.9037543537        4.0569871145
  C         5.1388829899        0.7013436861        1.7121059819
  C         4.8234483473        2.2026220542        1.9563249791
  C         4.3851542314        2.8470848803        0.6297945762
  C         5.4739469615        2.6704864962       -0.4355082707
  C         5.8809316442        1.2071419512       -0.6453147820
  C         6.2813397958        0.5338877431        0.6788895582
  C         1.9126146960        0.2716471247        3.4776581217
  C         1.9022970944       -0.9558009500        4.1468870035
  C         1.0631565288       -0.7539745671        5.4190003825
  C         1.9309986990        0.2119301126        6.2567959005
  C         1.9205800206        1.4390419875        5.5929460655
  C         1.0618874967        1.2393034428        4.3286780265
  C         0.0020366991        0.2635903173        4.9103091823
  H         4.4263076152        0.1758309996        8.4060730079
  H         5.6007944417       -2.3417397581        7.1078315277
  H         3.9561861033       -1.7582379708        6.9200245130
  H         4.2875798790       -3.5161004604        8.7371186200
  H         3.6017774849       -2.0331241333        9.4193597425
  H         5.4249242469       -2.7894060742       10.8780678508
  H         6.5242769137       -2.9411280360        9.5176769634
  H         7.0754929413       -0.9167415396       10.7566266311
  H         5.4209388137       -0.3108157673       10.6853409959
  H         6.7600144408        0.8423392523        9.0204536011
  H         7.3584741687       -0.6955666626        8.3736615108
  H         6.6858718057        2.4281245617        7.2163140251
  H         4.8967629464        2.2804537038        8.8295582593
  H         3.6470428022        2.5754699678        7.6007512038
  H         5.6658038025        4.6011832325        8.6690791141
  H         3.9083903053        4.6313538002        8.8718104620
  H         4.5887846052        6.2297735596        7.1380874434
  H         3.5857129084        4.9749240136        6.4382731051
  H         6.6577947505        5.0400209346        6.3835498774
  H         5.6204557883        5.4331192142        5.0163447169
  H         6.3746225860        3.0570548928        4.8297336295
  H         4.6280064559        3.1610863333        5.0249753115
  H         7.8325393046        0.7200437916        5.8728145250
  H         7.1698635692       -0.9211384740        5.8217855796
  H         7.7464422241       -0.3264081251        3.4645076901
  H         7.0816690582        1.2996790095        3.6854933866
  H         6.4982327631       -2.1338357987        2.2881202184
  H         4.4074976526       -1.8828952477        0.8882323610
  H         3.4326191423       -2.1917911902        2.3260957701
  H         5.2759012134       -4.2163861309        0.9701080021
  H         3.5327336494       -4.2140518334        0.8762264761
  H         4.2059436607       -5.8324229621        2.5984347017
  H         3.3393637580       -4.5258846933        3.3662710198
  H         5.4384877252       -4.9580242255        4.7156794296
  H         6.3718428459       -4.7414027833        3.2206137333
  H         6.3942806379       -2.6526879983        4.6706065648
  H         4.6439617364       -2.5929500371        4.6587373231
  H         4.2421336702        0.2063023710        1.3071283141
  H         5.7160182605        2.7113774193        2.3571441158
  H         4.0447091210        2.3366875164        2.7246678925
  H         4.1964006485        3.9268388699        0.7312790145
  H         3.4315235923        2.3836862806        0.3316372041
  H         6.3296791431        3.2683881054       -0.0829637267
  H         5.1409545550        3.0921475604       -1.3924799035
  H         6.6796676958        1.1178554879       -1.4010700618
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 Rh         5.9579813735       10.0522241873       15.0124214577
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 Rh        12.5514223404        9.7672701726        4.6468928524
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  H        11.5625241468        7.2836860713        5.2133047723
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  C         5.1532300047        9.4882713990        3.7459668856
  C         5.7093060344       10.4824686173        2.9069156551
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  C         2.5807301902        7.8570410115        4.6530232119
  C         1.6779691053        6.8693398559        5.0708284703
  C         1.3272200906        6.7361764924        6.4216677139
  C         1.9209973269        7.6301114107        7.3285685351
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  F         2.6861616921        7.1625856019        9.5385079441
  F         1.1766553282        8.7375993264        9.3167718184
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  F         0.2522856086        5.0640401164        4.3318875706
  F         0.7115745842        6.7224511763        2.9303777540
  C         5.3648516726       10.2191492304        6.2128234825
  C         5.9486506768        9.1790075381        6.9472980021
  C         6.8969428863        9.3928526235        7.9482710342
  C         7.3371594662       10.6798513596        8.2632369965
  C         6.8250988970       11.7354678517        7.4901034906
  C         5.8590701932       11.5033057423        6.4974869453
  C         7.3291470487       13.1415345416        7.6972833661
  F         7.8426917238       13.3452463819        8.9462287573
  F         6.3502764548       14.0799814735        7.4850775247
  F         8.3341603266       13.4820622702        6.8163397763
  C         7.2833642098        8.1357480956        8.6669214287
  F         8.4389647015        8.2276978860        9.3876514461
  F         7.4246059057        7.0997465262        7.7792993363
  F         6.2872443661        7.7349612613        9.5340480905
  C         3.2173450779       11.1193714544        4.7970007170
  C         2.6189263454       11.2787227401        3.5377519368
  C         1.6842799692       12.2884704312        3.2887269026
  C         1.3031021246       13.1904467518        4.2733112378
  C         1.8724143107       13.0370272046        5.5372530722
  C         2.7971394791       12.0101273513        5.7959287686
  C         1.1081768213       12.3866452998        1.9186597572
  F         1.0084650121       11.1596374755        1.3186188740
  F         1.8859144419       13.1601682950        1.0963430551
  F        -0.1623254342       12.9031321281        1.9107038344
  C         6.8205523197        6.3989588346        2.2137069128
  F         7.6120219984        6.2373212952        1.1093914507
  F         7.4950158708        5.8844137836        3.2990878719
  F         5.7195503556        5.5789846777        2.0542082993
  F         0.7732716664       15.0340779520        6.2426583560
  F         0.9584150775       13.3787498891        7.7051917743
  F         2.7383178750       14.5652601068        7.1209312090
  C         1.5759430354       13.9994721900        6.6442398160
  H         7.7187309330        8.6071891008        0.8688375263
  H         5.1236833053        7.3360903402        4.0436434363
  H         5.4626763743       11.5357924117        3.0569430675
  H         2.8209120980        7.9566916424        3.5968501616
  H         0.6281643664        5.9769065502        6.7773828597
  H         3.3550150882        9.2423219721        7.6026226492
  H         5.6427987910        8.1508922920        6.7811953114
  H         8.0314966420       10.8780220082        9.0760432830
  H         5.4521625752       12.3575308672        5.9586088557
  H         2.8750921878       10.6003590523        2.7309361688
  H         0.5606889856       13.9542922046        4.0501769868
  H         3.2263495542       11.9414837495        6.7957952001
  F         9.9755679026        8.3842293731       18.4785102605
  C        11.2687195597        8.6548488701       18.8571818418
  F        11.9381857424        7.4709716692       18.8344775901
  F        11.2175214543        9.0216686033       20.1768375880
  C        11.8561282585        9.7323517089       17.9976406053
  C        11.4084105367       11.0413328515       18.1955240884
  C        11.8778909561       12.0207183636       17.3198506585
  C        12.7615635918       11.6936605087       16.2817841663
  C        13.2473729019       10.3922052628       16.0859819515
  C        12.7607234123        9.4171609338       16.9790256944
  B        14.1571043471        9.9817683991       14.7857614134
  C        15.1698392450       11.1783459615       14.3262485587
  C        15.7812944880       12.0320863333       15.2579190595
  C        16.7030716407       13.0078831800       14.8556751807
  C        17.0874103509       13.1301055573       13.5170146335
  C        16.5128390780       12.2688973122       12.5753696043
  C        15.5658326445       11.3201050180       12.9813598164
  C        16.8510895281       12.3890258531       11.1041350945
  F        17.8577117821       13.2700284461       10.8519035578
  F        15.7831130268       12.8191595898       10.3427772513
  F        17.2352227804       11.1891378905       10.5563814593
  C        17.2407922661       13.9430665887       15.8992138525
  F        16.2466157568       14.6754536986       16.4938822713
  F        18.1469645050       14.8396607649       15.4001681939
  F        17.8412197758       13.2569375138       16.9333362466
  C        13.0702815207        9.6302186443       13.5853981381
  C        12.4784776856       10.6621857218       12.8229354958
  C        11.5014642352       10.4159763008       11.8446641639
  C        11.0392497270        9.1164426424       11.6136627955
  C        11.6082899918        8.0803096500       12.3592837003
  C        12.6048393865        8.3280687372       13.3085418894
  C        11.0262038176        6.7033330187       12.2237503153
  F        10.4942589050        6.4950282676       10.9893423978
  F        11.9224640269        5.6944267877       12.4615596831
  F        10.0084081748        6.5001977261       13.1277209097
  C        10.9179786102       11.5319501863       11.0169398958
  F         9.7416972199       11.1785967707       10.4107833165
  F        10.6301307102       12.6567670996       11.7340964379
  F        11.7547959383       11.8898552512        9.9839542058
  C        15.1819883544        8.7435031631       15.0733891087
  C        15.8396646540        8.5652390874       16.3056449793
  C        16.7759500197        7.5426471484       16.4779293619
  C        17.0871620738        6.6705653611       15.4353118118
  C        16.4744964699        6.8432633649       14.2052476664
  C        15.5467755159        7.8810770893       14.0254263477
  C        17.4565799560        7.2329836740       17.7735906381
  F        17.6105573989        8.3133170984       18.6119140802
  F        16.7910891256        6.2567740402       18.4772011114
  F        18.7080289614        6.7254647691       17.5302163355
  C        11.3881197772       13.4318496790       17.4318960219
  F        10.7849291891       13.6713811602       18.6264599441
  F        10.4800229862       13.7355674524       16.4297972277
  F        12.4018636185       14.3420985048       17.3033633907
  F        17.6293336911        4.8796796348       13.4809940914
  F        17.3752974589        6.5313137423       12.0210824761
  F        15.6561275297        5.2726686901       12.6058733747
  C        16.7859513331        5.8913282758       13.0837585191
  H        10.6988962022       11.2838126838       18.9852100679
  H        13.0339060157       12.4811943452       15.5813310345
  H        13.0816595918        8.3871978732       16.8659519314
  H        15.5502887041       11.9211403226       16.3180062762
  H        17.8011647365       13.8921734306       13.2225829885
  H        15.1167124536       10.6769215185       12.2257029792
  H        12.7794946447       11.6901808360       13.0256782653
  H        10.2236842761        8.9157222764       10.9237877349
  H        12.9952037869        7.4676883083       13.8527650930
  H        15.6370169174        9.2513144703       17.1237363913
  H        17.7964949964        5.8700930967       15.6110335593
  H        15.0891088354        8.0218864265       13.0485371575
  F         2.7263100681       18.6300002733       20.0997029604
  C         2.6891306037       18.2779776025       18.7702157446
  F         1.3609700592       18.0114668603       18.4864788918
  F         3.3565682294       17.0911775917       18.6342085738
  C         3.2706225189       19.3605420915       17.9072310653
  C         4.1180926476       19.0333524292       16.8397051175
  C         4.6629593344       20.0069295258       15.9725158194
  C         4.2627310250       21.3268475800       16.2240673954
  C         3.4307891850       21.6557592828       17.2994237920
  C         2.9328365522       20.6912237103       18.1661600038
  C         2.9177673024       23.0468822928       17.4379669969
  F         2.2990390810       23.2895533866       18.6293041622
  F         3.9107732161       23.9724582338       17.3094028621
  F         1.9896786301       23.2910862433       16.4371142338
  B         5.6012106352       19.6260998541       14.6728052030
  C         6.6514179149       18.4197264057       14.9821793710
  C         7.2716060927       18.2917047531       16.2381281647
  C         8.2331236058       17.3104566815       16.4888558920
  C         8.6108333255       16.4094062771       15.4985324764
  C         8.0145911761       16.5243632928       14.2417387617
  C         7.0754645726       17.5360799511       13.9757390063
  C         8.4066779513       15.5859266182       13.1422824059
  F         7.3091540326       15.0290455903       12.5400483322
  F         9.2114909966       14.5638760200       13.5676977576
  F         9.1103030007       16.2365120313       12.1634891011
  C         8.7789864411       17.1559337616       17.8719871283
  F         8.9120958526       18.3714697174       18.4875104280
  F        10.0126503790       16.5641224737       17.8934986029
  F         7.9657573161       16.3887588869       18.6912637109
  C         6.6304003120       20.8267721025       14.2642109556
  C         7.2076694679       21.6681774037       15.2300956572
  C         8.1553744853       22.6372349490       14.8836528162
  C         8.5715477847       22.7963422435       13.5581421819
  C         8.0079453130       21.9676893617       12.5862164004
  C         7.0694143030       20.9918839228       12.9419414202
  C         8.3844344592       22.1114122284       11.1389014105
  F         8.8182653568       20.9009915324       10.6318260849
  F         9.3700914571       23.0308823885       10.9283691200
  F         7.3238708754       22.5100397044       10.3470555954
  C         8.6750938067       23.5808470860       15.9261492968
  F         9.5879126059       24.4627280044       15.4114091516
  F         7.6908993285       24.3544359517       16.5012976188
  F         9.2750383606       22.8830271851       16.9490032435
  C         4.5415896282       19.2658793295       13.4676563691
  C         4.0442719173       17.9666612006       13.2562730467
  C         3.0699615242       17.7045609466       12.2818255978
  C         2.5531999496       18.7139812116       11.4813498030
  C         2.9971549167       20.0238258521       11.6973819150
  C         3.9756552331       20.2836324280       12.6678853950
  C         2.3889008894       21.1309862699       10.8808839960
  F         2.3674541282       20.7830641976        9.5414750298
  F         1.0821655362       21.3981391514       11.2251742315
  F         3.0378138324       22.3223442137       11.0008558360
  C         2.4953263817       16.3250668815       12.1658039879
  F         1.9304499199       16.0518303544       10.9467572117
  F         3.4345689263       15.3651731530       12.3965535358
  F         1.5194487726       16.1212892984       13.1243340722
  H         4.3654809936       17.9850309097       16.6969021996
  H         4.5814064010       22.1110671303       15.5406352420
  H         2.2765384274       21.0010009624       18.9744445353
  H         6.9970176247       18.9525948342       17.0554142929
  H         9.3470524844       15.6451888504       15.7282261953
  H         6.6568901176       17.6615716820       12.9730656637
  H         6.8687722832       21.5972151787       16.2625129628
  H         9.2788054692       23.5802551536       13.3061155253
  H         6.6535608124       20.3485955553       12.1684483635
  H         4.4078077962       17.1257681642       13.8463164143
  H         1.8390356858       18.4291936707       10.7127298374
  H         4.3173183521       21.3081024429       12.7971204744
  F        15.6810397093        1.2802569938       -0.2990788831
  C        15.7157721438        1.6405409676        1.0305774973
  F        17.0463706380        1.9001984046        1.3112787855
  F        15.0508781689        2.8253667633        1.1616163444
  C        15.1360301534        0.5741009545        1.9129434459
  C        14.3037591135        0.9073099950        2.9905381747
  C        13.7877874264       -0.0686848938        3.8692553041
  C        14.2085222425       -1.3888376474        3.6401330196
  C        15.0365986004       -1.7263532645        2.5577123201
  C        15.4917906616       -0.7566079747        1.6660845445
  C        15.5073997999       -3.1386726117        2.3779624554
  F        16.1087863247       -3.3753476464        1.1722770326
  F        14.4964065187       -4.0522179694        2.4891621186
  F        16.4233295157       -3.4503081194        3.3641836166
  B        12.8234309801        0.2654543528        5.1606482311
  C        11.7509131545        1.4670490457        4.8655615135
  C        11.1620602760        1.5748993087        3.5910738561
  C        10.1927397860        2.5443116295        3.3000109032
  C         9.7625254025        3.4375101311        4.2920245147
  C        10.3303047144        3.3418945024        5.5696955264
  C        11.2990572885        2.3665686366        5.8450843406
  C         9.9722065255        4.3065105444        6.6723358076
  F        11.0922970320        4.8746982176        7.2504372697
  F         9.1921251541        5.3401510064        6.2329698931
  F         9.3018638135        3.6818604921        7.6969869960
  C         9.6425786311        2.7319524043        1.9050087748
  F         9.4959546789        1.5408048548        1.2437309729
  F         8.4052386273        3.3407705285        1.9048972201
  F        10.4476946064        3.5240471130        1.1050938437
  C        11.8167794695       -0.9795010021        5.5485053283
  C        11.2692786855       -1.8547459070        4.5905022565
  C        10.3049094130       -2.8118689377        4.9231502337
  C         9.8468406213       -2.9652157778        6.2341067973
  C        10.3631094914       -2.0941045682        7.2004249515
  C        11.3164987378       -1.1269545749        6.8565563042
  C         9.9752276010       -2.1915710706        8.6505118348
  F         9.5874919667       -0.9744168085        9.1629334798
  F         8.9573589544       -3.0605768600        8.8703923975
  F        11.0182011011       -2.6050165224        9.4518274762
  C         9.7529778485       -3.6978708434        3.8465882970
  F         8.8165031196       -4.5645220676        4.3215390862
  F        10.7168784976       -4.4517415913        3.2225154510
  F         9.1376281891       -2.9654642241        2.8525654158
  C        13.8892827747        0.6027965295        6.3531146497
  C        14.3830738331        1.9023618083        6.5750856335
  C        15.3409639788        2.1921398553        7.5592914865
  C        15.8488629624        1.1668640985        8.3568170992
  C        15.4070547336       -0.1367569490        8.1134749019
  C        14.4598056258       -0.4246521840        7.1327481114
  C        16.0219099128       -1.2300534840        8.9232573222
  F        16.0417553968       -0.8747951270       10.2594733300
  F        17.3269530279       -1.4891865631        8.5733610210
  F        15.3707803434       -2.4173249230        8.7989014975
  C        15.9118571381        3.5809738126        7.6536766240
  F        16.4790164713        3.8625826434        8.8646478618
  F        14.9720444007        4.5404201967        7.4044911207
  F        16.8845704677        3.7868363026        6.6817820690
  H        14.0369903220        1.9538236796        3.1302148545
  H        13.8158673428       -2.1597993922        4.3040508544
  H        16.1123246819       -1.0404767558        0.8190630042
  H        11.5193690855        0.8931576732        2.8219292384
  H         9.0248449619        4.1881212902        4.0224821413
  H        11.7470481854        2.3366109169        6.8384669816
  H        11.6024912611       -1.8163726286        3.5547910579
  H         9.1616983630       -3.7751327652        6.4686564859
  H        11.6930754885       -0.4913989869        7.6565393956
  H        14.0108264784        2.7140445878        5.9504965778
  H        16.6003694139        1.3635324133        9.1143497677
  H        14.1685138564       -1.4643808492        6.9781106116
  H        10.7728259483       11.7491280222        4.8992694100
  H        12.2807040627       10.6505981604        3.4212448864
     646
 i =       12, E =         0.0309971973
 Rh         3.6382487967        0.2508653813        4.8294396232
  P         5.3850281738        0.6477516642        6.2863962359
  C         5.2652079105       -0.3024607115        7.8713525226
  C         4.8148370504       -1.7558997876        7.6143007157
  C         4.4977361179       -2.4543141840        8.9439157231
  C         5.6854090552       -2.3404237980        9.9115630607
  C         6.1681960342       -0.9006965991       10.1360572440
  C         6.4846782844       -0.1998470520        8.8104536671
  C         5.6633784624        2.4090712460        6.7959405826
  C         4.6718525721        2.8324523695        7.9052528776
  C         4.7100615543        4.3426576975        8.1806357554
  C         4.5685711619        5.1571124235        6.8964511282
  C         5.6888804055        4.8101547221        5.9215711755
  C         5.5869209714        3.3257604646        5.5483782470
  C         6.9968064950        0.1136957055        5.4944303202
  C         6.9483678244        0.2415212838        3.9662140092
  P         5.3113161847       -0.2495339060        3.2818971248
  C         5.5167939863       -2.0354426108        2.7771898449
  C         4.3754859347       -2.4516056824        1.8266999113
  C         4.3710554485       -3.9563992784        1.5335076980
  C         4.2743475703       -4.7630279583        2.8375556050
  C         5.4606240012       -4.4210503121        3.7519697571
  C         5.5123385623       -2.9035469736        4.0541583947
  C         5.1440760704        0.7029283636        1.7111489547
  C         4.8285845260        2.2050091298        1.9551643455
  C         4.3858635080        2.8461193745        0.6282913417
  C         5.4729515833        2.6677809067       -0.4383266899
  C         5.8838583577        1.2055568222       -0.6466782831
  C         6.2880260563        0.5360007031        0.6782684430
  C         1.9123249951        0.2718738313        3.4767743933
  C         1.9024043051       -0.9571145058        4.1431750578
  C         1.0625752021       -0.7589375379        5.4148989561
  C         1.9283129600        0.2070847712        6.2551994724
  C         1.9158856460        1.4359910884        5.5945153618
  C         1.0591964486        1.2367411806        4.3284030430
  C         0.0004267962        0.2595285662        4.9097245258
  H         4.4306175824        0.1767859974        8.4094524871
  H         5.5950243096       -2.3440708786        7.1083424027
  H         3.9539924565       -1.7519363972        6.9220303704
  H         4.2917555029       -3.5143896572        8.7381774842
  H         3.5990916201       -2.0349930498        9.4220780526
  H         5.4255007629       -2.7825744004       10.8799157010
  H         6.5237760133       -2.9340275482        9.5182099238
  H         7.0769030025       -0.9138502729       10.7572745488
  H         5.4245808275       -0.3016037278       10.6864998389
  H         6.7629172991        0.8454417803        9.0206198974
  H         7.3628835724       -0.6941553887        8.3782889826
  H         6.6851336549        2.4232509030        7.2140994458
  H         4.9013750704        2.2796797405        8.8300030297
  H         3.6472254101        2.5702339931        7.6040718614
  H         5.6598097517        4.6020687861        8.6704484001
  H         3.9011950673        4.6299869661        8.8665131740
  H         4.5832630730        6.2266464333        7.1354749446
  H         3.5858234802        4.9686095485        6.4326291117
  H         6.6580973900        5.0351762266        6.3928878743
  H         5.6297791403        5.4357980430        5.0208973358
  H         6.3714284193        3.0553028073        4.8269905214
  H         4.6255805533        3.1653675929        5.0257500530
  H         7.8308329125        0.7195114055        5.8678879227
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  F         6.4704993976       12.3783099121        1.0242315585
  F         7.3334350040       10.8308332653       -0.2888430294
  C         6.6031005328       10.1598575057        1.8808461023
  C         7.0149146853        8.8439075808        1.6584529640
  C         6.4588714086        7.8426961109        2.4507159569
  C         5.5460345597        8.1615796563        3.4669382764
  C         5.1527683778        9.4895063043        3.7452574387
  C         5.7090970202       10.4838965199        2.9062617669
  B         4.2455960350        9.8833152120        5.0643744231
  C         3.2268851951        8.7051362567        5.5498321813
  C         2.5772688906        7.8575787629        4.6518876600
  C         1.6759129610        6.8692431105        5.0714755690
  C         1.3273269071        6.7362703210        6.4232288262
  C         1.9226433575        7.6304083867        7.3290729536
  C         2.8643057018        8.5755713557        6.8970897918
  C         1.5968894383        7.5433029212        8.7975571331
  F         0.6213897592        6.6428259845        9.0918158482
  F         2.6863559566        7.1626545409        9.5390863963
  F         1.1764864830        8.7378547684        9.3171724520
  C         1.2038754469        5.9669381903        3.9741572681
  F         2.2417590123        5.2412345699        3.4463388824
  F         0.2513491433        5.0637367087        4.3322989044
  F         0.7104401372        6.7223165493        2.9306933523
  C         5.3650820698       10.2168706005        6.2133950295
  C         5.9522157083        9.1776187851        6.9470272143
  C         6.8999355473        9.3933180700        7.9481691964
  C         7.3391703128       10.6803924876        8.2630950630
  C         6.8249835093       11.7351184325        7.4901051034
  C         5.8569470047       11.5016655138        6.4994777001
  C         7.3284849871       13.1415416895        7.6971659878
  F         7.8421633150       13.3453368407        8.9461674949
  F         6.3496605762       14.0799985863        7.4851971707
  F         8.3335328184       13.4821552629        6.8163490081
  C         7.2841393728        8.1359304608        8.6671989188
  F         8.4392050386        8.2276354372        9.3879234916
  F         7.4245078181        7.0996961592        7.7795230223
  F         6.2872318315        7.7352825617        9.5340301203
  C         3.2145597170       11.1180159847        4.7989960849
  C         2.6174503661       11.2778293863        3.5391812762
  C         1.6837561042       12.2897666424        3.2893590599
  C         1.3033026004       13.1915605146        4.2726245510
  C         1.8698121834       13.0370819377        5.5374423784
  C         2.7931664564       12.0077429813        5.7974927640
  C         1.1078934573       12.3868423720        1.9188715559
  F         1.0078214688       11.1598146761        1.3190628016
  F         1.8851407198       13.1604555832        1.0965107536
  F        -0.1629203212       12.9032225394        1.9112688416
  C         6.8212439326        6.4001464526        2.2139648346
  F         7.6117105349        6.2376084749        1.1092052034
  F         7.4946838902        5.8844068385        3.2992465021
  F         5.7192400453        5.5818673035        2.0543590540
  F         0.7724256219       15.0341850307        6.2432036051
  F         0.9577644107       13.3787634740        7.7058332305
  F         2.7374123499       14.5651570253        7.1211890443
  C         1.5748064227       13.9995563854        6.6449171840
  H         7.7298915095        8.6110090252        0.8770142374
  H         5.1194353055        7.3361890445        4.0376441618
  H         5.4612881632       11.5373544425        3.0537597717
  H         2.8143058322        7.9592162157        3.5951459307
  H         0.6286899519        5.9775804217        6.7820944493
  H         3.3633340294        9.2404141637        7.5979416701
  H         5.6493100480        8.1483038843        6.7834810194
  H         8.0317779172       10.8809970279        9.0769444164
  H         5.4451590874       12.3554548506        5.9638465668
  H         2.8725507680       10.5992454218        2.7324821941
  H         0.5610895678       13.9558045111        4.0476852509
  H         3.2203220609       11.9391089553        6.7983559783
  F         9.9755429607        8.3841958797       18.4784385232
  C        11.2685509487        8.6550533598       18.8573735839
  F        11.9383214621        7.4713134299       18.8341931055
  F        11.2177099815        9.0216306471       20.1770552291
  C        11.8550295668        9.7336942276       17.9991170107
  C        11.4059477280       11.0418968200       18.1964714366
  C        11.8765115833       12.0211899518       17.3212657841
  C        12.7600352453       11.6941790410       16.2827539188
  C        13.2472255395       10.3934321956       16.0879103478
  C        12.7618628773        9.4190008898       16.9821286996
  B        14.1567860923        9.9817318227       14.7877836314
  C        15.1698012921       11.1779798440       14.3288360100
  C        15.7830681764       12.0296536885       15.2610738321
  C        16.7032312441       13.0063934607       14.8572162044
  C        17.0865952221       13.1286538221       13.5184524589
  C        16.5118770161       12.2681990738       12.5763136921
  C        15.5640739754       11.3203778175       12.9834146919
  C        16.8498537809       12.3889311021       11.1043380914
  F        17.8567531557       13.2700588997       10.8515785040
  F        15.7800971542       12.8189489500       10.3433335329
  F        17.2347366543       11.1895344149       10.5559358306
  C        17.2408760087       13.9428418316       15.8994046224
  F        16.2466423583       14.6756253527       16.4935006134
  F        18.1467613018       14.8397001229       15.3996438595
  F        17.8414403996       13.2571736053       16.9333374207
  C        13.0714229849        9.6286525417       13.5854269408
  C        12.4791814455       10.6612153028       12.8235423885
  C        11.5020025216       10.4162165994       11.8451482695
  C        11.0373233962        9.1172058808       11.6151666225
  C        11.6087771392        8.0801721779       12.3580055993
  C        12.6077696139        8.3262100522       13.3048902845
  C        11.0260449294        6.7033741750       12.2230982013
  F        10.4939625389        6.4950517680       10.9889030609
  F        11.9223976912        5.6945099462       12.4611702843
  F        10.0084570000        6.5003445806       13.1274475927
  C        10.9181906050       11.5320784102       11.0171351350
  F         9.7417499090       11.1787422740       10.4108616196
  F        10.6299871923       12.6569985470       11.7340557218
  F        11.7545132395       11.8900507001        9.9839277980
  C        15.1822268033        8.7448498049       15.0754847513
  C        15.8409145439        8.5685647422       16.3065616383
  C        16.7769095295        7.5450518834       16.4783202022
  C        17.0869272243        6.6728887481       15.4357885848
  C        16.4749605381        6.8445321061       14.2059552794
  C        15.5463041170        7.8829493877       14.0269148396
  C        17.4572905847        7.2353801159       17.7736486868
  F        17.6112613822        8.3150880644       18.6118000664
  F        16.7916525556        6.2582706445       18.4765181309
  F        18.7082979904        6.7264603669       17.5298388619
  C        11.3877541297       13.4324216994       17.4322563342
  F        10.7848087262       13.6717472376       18.6266252265
  F        10.4799494221       13.7357046185       16.4297032564
  F        12.4018165259       14.3421537782       17.3032198485
  F        17.6292153878        4.8802729597       13.4805693144
  F        17.3751800215        6.5316752522       12.0205641467
  F        15.6561023328        5.2730866685       12.6055379062
  C        16.7859356914        5.8921786005       13.0835554482
  H        10.6944400948       11.2841313535       18.9847893893
  H        13.0286300216       12.4816772346       15.5807933796
  H        13.0846443039        8.3896870528       16.8709891767
  H        15.5557835653       11.9157842805       16.3216953687
  H        17.8007173324       13.8906073314       13.2247436477
  H        15.1124029392       10.6778717618       12.2286878676
  H        12.7801600468       11.6887111365       13.0290308510
  H        10.2172099728        8.9179262334       10.9302988867
  H        12.9999359647        7.4635646105       13.8444950132
  H        15.6410430739        9.2564240867       17.1235596536
  H        17.7965214514        5.8725287132       15.6130019859
  H        15.0875859230        8.0251836653       13.0506644723
  F         2.7263747251       18.6298934383       20.1006352592
  C         2.6891316664       18.2791521878       18.7712658802
  F         1.3611918606       18.0115452790       18.4870050361
  F         3.3565880801       17.0917587659       18.6345088294
  C         3.2709317492       19.3632573319       17.9095665264
  C         4.1177306823       19.0353313584       16.8416810000
  C         4.6632641881       20.0076254557       15.9729767785
  C         4.2630960133       21.3277257356       16.2232018850
  C         3.4332437557       21.6575536461       17.2995068093
  C         2.9357665131       20.6947222457       18.1685911822
  C         2.9185436753       23.0476861876       17.4381229702
  F         2.2991747417       23.2895433616       18.6296261728
  F         3.9108364968       23.9736268861       17.3098458123
  F         1.9897060384       23.2910125673       16.4377283284
  B         5.6019241651       19.6264228565       14.6731309304
  C         6.6542564863       18.4224048287       14.9819613328
  C         7.2752121227       18.2950835134       16.2374146688
  C         8.2356047785       17.3124857322       16.4878897136
  C         8.6113590316       16.4110186292       15.4977624936
  C         8.0155612083       16.5262583539       14.2407862392
  C         7.0781171793       17.5400608494       13.9745356775
  C         8.4065283480       15.5864234751       13.1419580664
  F         7.3089188143       15.0292018598       12.5402146587
  F         9.2111725833       14.5641534712       13.5676973521
  F         9.1101014665       16.2366038837       12.1631010630
  C         8.7798501163       17.1566127387       17.8715192692
  F         8.9123081386       18.3716556545       18.4877129932
  F        10.0129602585       16.5641317873       17.8934823262
  F         7.9661805172       16.3892017625       18.6905996278
  C         6.6316522788       20.8261038535       14.2652820013
  C         7.2085680984       21.6664293331       15.2319143038
  C         8.1574456471       22.6344483087       14.8858069179
  C         8.5748596187       22.7930995683       13.5605148915
  C         8.0100425867       21.9662818855       12.5875933473
  C         7.0710476357       20.9910022406       12.9433160868
  C         8.3845184547       22.1112278098       11.1395788539
  F         8.8179028773       20.9009763005       10.6318501709
  F         9.3696834867       23.0310352907       10.9285120638
  F         7.3234981263       22.5099572174       10.3478778513
  C         8.6754865034       23.5802435884       15.9271656551
  F         9.5876423840       24.4626072179       15.4116895805
  F         7.6908150713       24.3540920864       16.5013886689
  F         9.2753141952       22.8831890120       16.9501378751
  C         4.5435108752       19.2643536434       13.4672574957
  C         4.0464065867       17.9648431908       13.2569761516
  C         3.0719599564       17.7030291772       12.2822379764
  C         2.5559382794       18.7114807214       11.4806462659
  C         2.9982491098       20.0219370993       11.6963878921
  C         3.9776730146       20.2814419608       12.6666473811
  C         2.3890533530       21.1301450073       10.8810926820
  F         2.3669301063       20.7829559287        9.5416954998
  F         1.0821739893       21.3977621236       11.2258155637
  F         3.0373778402       22.3219836043       11.0013623574
  C         2.4958655621       16.3241460558       12.1664721668
  F         1.9302212693       16.0517098016       10.9475283578
  F         3.4344774652       15.3636864946       12.3970106562
  F         1.5194593206       16.1212380795       13.1248031833
  H         4.3635836130       17.9864951240       16.7004976209
  H         4.5797987214       22.1102637946       15.5370157825
  H         2.2814063562       21.0092103511       18.9766288857
  H         7.0021123730       18.9561476364       17.0549329314
  H         9.3466818022       15.6462269918       15.7286921951
  H         6.6602564418       17.6695880999       12.9718792086
  H         6.8660952896       21.5967985199       16.2632267205
  H         9.2826191697       23.5773746208       13.3106733082
  H         6.6537773925       20.3485282517       12.1701160608
  H         4.4096849951       17.1232654677       13.8464112427
  H         1.8447648886       18.4222127785       10.7106987589
  H         4.3209347920       21.3054728107       12.7943764965
  F        15.6802545563        1.2805496717       -0.2997918185
  C        15.7149376669        1.6406097604        1.0296843035
  F        17.0455093620        1.9005319579        1.3105807737
  F        15.0501467516        2.8256239530        1.1609825509
  C        15.1351396200        0.5744019740        1.9126075790
  C        14.3055669561        0.9093270384        2.9918896337
  C        13.7896149345       -0.0658575112        3.8717680739
  C        14.2101283720       -1.3862618303        3.6438129052
  C        15.0354091918       -1.7257572365        2.5598244094
  C        15.4879940302       -0.7572691865        1.6652543684
  C        15.5065151065       -3.1380591933        2.3783430974
  F        16.1078533037       -3.3745836128        1.1720735250
  F        14.4957861826       -4.0519635369        2.4886786661
  F        16.4228880930       -3.4500274512        3.3637153426
  B        12.8235110586        0.2645402078        5.1632866464
  C        11.7486005486        1.4643026705        4.8699429771
  C        11.1609737072        1.5698051846        3.5945807706
  C        10.1922063798        2.5391750713        3.3007464203
  C         9.7604371840        3.4329201918        4.2917987870
  C        10.3273491829        3.3396958596        5.5703466844
  C        11.2961084840        2.3651318079        5.8479394745
  C         9.9707926833        4.3061880158        6.6719574199
  F        11.0914621493        4.8745716499        7.2496791297
  F         9.1915440738        5.3402770562        6.2327008651
  F         9.3013005230        3.6820357158        7.6971231440
  C         9.6425134224        2.7303353461        1.9052718267
  F         9.4952984022        1.5405119367        1.2431526569
  F         8.4050916394        3.3406483163        1.9049556563
  F        10.4469876143        3.5238132307        1.1054639201
  C        11.8178084577       -0.9822848144        5.5489092808
  C        11.2720184217       -1.8583304581        4.5907611825
  C        10.3051984442       -2.8131386692        4.9223138130
  C         9.8450402442       -2.9670071292        6.2323479266
  C        10.3605612132       -2.0958272802        7.1992290920
  C        11.3145382158       -1.1291317437        6.8559134249
  C         9.9741900312       -2.1921830161        8.6498438537
  F         9.5873689684       -0.9744956252        9.1625035444
  F         8.9565901735       -3.0607935148        8.8703454859
  F        11.0178951610       -2.6048802433        9.4510489191
  C         9.7527851574       -3.6982388895        3.8458924775
  F         8.8160742474       -4.5644695101        4.3210432676
  F        10.7165278515       -4.4517321112        3.2218891844
  F         9.1371800335       -2.9652994258        2.8522878417
  C        13.8887027745        0.6011707127        6.3556093042
  C        14.3824452904        1.9009680126        6.5772847895
  C        15.3394334109        2.1920591487        7.5618371424
  C        15.8459622747        1.1666595999        8.3608559161
  C        15.4058682751       -0.1371581182        8.1153782179
  C        14.4603635794       -0.4264581780        7.1341170624
  C        16.0218020782       -1.2301279812        8.9236243343
  F        16.0418228323       -0.8747451097       10.2595060568
  F        17.3267353251       -1.4889206646        8.5727052809
  F        15.3707295303       -2.4173532173        8.7984590544
  C        15.9111096885        3.5810224318        7.6543396349
  F        16.4788670153        3.8630023600        8.8645908181
  F        14.9714808555        4.5406126672        7.4041666144
  F        16.8837290817        3.7868685804        6.6816643138
  H        14.0400044441        1.9565142679        3.1299979852
  H        13.8155150530       -2.1542682933        4.3100104936
  H        16.1033962904       -1.0438936598        0.8154076712
  H        11.5226066147        0.8863590255        2.8289396878
  H         9.0230482602        4.1821657022        4.0177284161
  H        11.7453238580        2.3387034776        6.8410286450
  H        11.6090761710       -1.8240270579        3.5561714517
  H         9.1617930222       -3.7794057615        6.4639068725
  H        11.6900701609       -0.4948685007        7.6574152504
  H        14.0109590753        2.7115917972        5.9506481323
  H        16.5961582969        1.3623766276        9.1198207554
  H        14.1720770176       -1.4669260346        6.9777594248
  H        10.7694934388       11.7533211710        4.8917559296
  H        12.2716424881       10.6450690122        3.4251771191
     646
 i =       13, E =         0.0315294532
 Rh         3.6363977821        0.2514427328        4.8289522753
  P         5.3833629508        0.6466090047        6.2855381476
  C         5.2677699764       -0.3014949228        7.8720831730
  C         4.8131555165       -1.7537591660        7.6159005066
  C         4.4967642616       -2.4516527819        8.9458413306
  C         5.6846367762       -2.3342604067        9.9130362683
  C         6.1691532498       -0.8950795268       10.1372530632
  C         6.4878369489       -0.1970731668        8.8109236446
  C         5.6622745214        2.4075127887        6.7945052972
  C         4.6721029897        2.8301941509        7.9057050791
  C         4.7061013655        4.3408707344        8.1793431274
  C         4.5667062840        5.1540003266        6.8941817060
  C         5.6915690781        4.8089582251        5.9240312774
  C         5.5862235857        3.3255520888        5.5477032739
  C         6.9949619861        0.1118300582        5.4926624797
  C         6.9458188624        0.2399252113        3.9648796698
  P         5.3101848614       -0.2497153409        3.2800485094
  C         5.5157757812       -2.0357136576        2.7741685792
  C         4.3733870876       -2.4520925076        1.8251215374
  C         4.3720882898       -3.9561198978        1.5279077916
  C         4.2713694101       -4.7637120097        2.8313665989
  C         5.4550009977       -4.4214711220        3.7496141077
  C         5.5075935692       -2.9033597562        4.0513098465
  C         5.1492572753        0.7045071677        1.7101794380
  C         4.8337535520        2.2073752900        1.9539776262
  C         4.3865926057        2.8451494364        0.6267818001
  C         5.4719420479        2.6650706162       -0.4411971115
  C         5.8867507323        1.2039437656       -0.6480245649
  C         6.2947071897        0.5381278783        0.6776792756
  C         1.9120030986        0.2721132510        3.4758858767
  C         1.9025070665       -0.9583679182        4.1394344396
  C         1.0619917456       -0.7639044402        5.4107850989
  C         1.9256675926        0.2022290400        6.2535688431
  C         1.9112320487        1.4328524073        5.5960966605
  C         1.0564934085        1.2341953729        4.3281570551
  C        -0.0011996726        0.2554442587        4.9091419644
  H         4.4349118230        0.1778217452        8.4127448290
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  H        13.8863235459       10.2162092718       -1.1871862765
  H        15.5712955991       10.5779345580       -1.5495004289
  H        13.2534195732        9.7663604112        8.2512171085
  H        13.0117670350        7.5700365937        6.8477882090
  H        14.6638416860        7.1989265280        7.2548466930
  H        13.0887705169        6.0222149515        8.7446346793
  H        12.4970405155        7.5254127821        9.4013152294
  H        14.2903331603        6.8610618530       10.9587189520
  H        15.4334941057        6.6189915259        9.6390194752
  H        15.8065120991        8.8684087046       10.7383821899
  H        14.0916964709        9.2216685913       10.5250976676
  H        16.2040034882        9.0483880165        8.2769757745
  H        15.4680598350       10.4969528781        8.9143034960
  H        10.5916940748       10.1089423039        2.5451739423
  H        11.1169625945        9.1808615404        7.2263425565
  H         9.1451368654       10.5379674855        6.5932106589
  H         7.9939033202        9.5442477680        4.3262019074
  H         8.2873787074        8.1813645296        5.3990154852
  H         9.8965287228        7.8582034388        3.2673845700
  H         9.1671751715       11.4310908347        4.1907292899
  H        11.5577681503        7.2740254616        5.2084633118
  F         8.4488003891       11.5972430921        1.4630572216
  C         7.2010791206       11.2342825683        1.0296668144
  F         6.4701323035       12.3784865920        1.0243869140
  F         7.3325338993       10.8310637715       -0.2885969144
  C         6.6053390934       10.1610550037        1.8825374789
  C         7.0214049777        8.8461543389        1.6629175236
  C         6.4620023541        7.8444033995        2.4519220197
  C         5.5454622367        8.1627969132        3.4652109200
  C         5.1522996215        9.4907527735        3.7445432087
  C         5.7088304868       10.4852596073        2.9056931699
  B         4.2448306829        9.8821946182        5.0643871232
  C         3.2266419892        8.7035833981        5.5481657503
  C         2.5738385073        7.8581234902        4.6507837531
  C         1.6738934214        6.8691667221        5.0720464328
  C         1.3273942583        6.7363284785        6.4247356616
  C         1.9243461765        7.6307725085        7.3296599211
  C         2.8673404846        8.5739055930        6.8959702890
  C         1.5975625555        7.5438373670        8.7981290895
  F         0.6218193475        6.6430839867        9.0921136259
  F         2.6865412781        7.1627265228        9.5396615021
  F         1.1763211805        8.7380901140        9.3175643246
  C         1.2025640354        5.9667456728        3.9745915097
  F         2.2409861604        5.2414120734        3.4467188210
  F         0.2504121060        5.0634525142        4.3327142075
  F         0.7092491061        6.7221846619        2.9310136917
  C         5.3653046160       10.2145361629        6.2139640390
  C         5.9556632266        9.1763680454        6.9466733740
  C         6.9027804430        9.3935863527        7.9480564103
  C         7.3411407777       10.6810958380        8.2629809896
  C         6.8248186835       11.7347882445        7.4901283184
  C         5.8548414897       11.5000747193        6.5015148378
  C         7.3278135310       13.1415194099        7.6970559439
  F         7.8416375508       13.3454329317        8.9461206694
  F         6.3490307236       14.0800327022        7.4853156956
  F         8.3329053495       13.4822514923        6.8163563694
  C         7.2849087839        8.1361034361        8.6675029585
  F         8.4394054013        8.2275799693        9.3881737341
  F         7.4243972977        7.0996677506        7.7797541260
  F         6.2872152671        7.7356113503        9.5340007940
  C         3.2120153881       11.1163933554        4.8006738076
  C         2.6154899529       11.2774503658        3.5404912698
  C         1.6838306109       12.2899115992        3.2894361114
  C         1.3030634527       13.1932758367        4.2723006312
  C         1.8677538937       13.0366880846        5.5380297447
  C         2.7887210068       12.0061149399        5.7992626508
  C         1.1075312389       12.3871734137        1.9192636357
  F         1.0072046933       11.1599780964        1.3195355164
  F         1.8843627387       13.1606870563        1.0966989428
  F        -0.1635244576       12.9032878500        1.9117760755
  C         6.8219461949        6.4014010050        2.2142346684
  F         7.6114043421        6.2379013240        1.1090215131
  F         7.4943424820        5.8844063623        3.2993943077
  F         5.7188246646        5.5853374341        2.0545024759
  F         0.7715557410       15.0343455753        6.2437925581
  F         0.9571163821       13.3787722417        7.7065261490
  F         2.7365230036       14.5650694887        7.1214947069
  C         1.5736522480       13.9995344840        6.6453053832
  H         7.7411028692        8.6148218197        0.8852588667
  H         5.1151603549        7.3363097145        4.0316736807
  H         5.4598474971       11.5388749168        3.0506084923
  H         2.8076479297        7.9617037916        3.5934015058
  H         0.6292374645        5.9782614263        6.7866906538
  H         3.3715729092        9.2384080693        7.5934543912
  H         5.6557549801        8.1457329765        6.7856031768
  H         8.0320769275       10.8838862215        9.0777570296
  H         5.4381768669       12.3534349775        5.9690671451
  H         2.8700446648       10.5981025130        2.7340241166
  H         0.5616324577       13.9572867894        4.0452823944
  H         3.2142483316       11.9366638058        6.8009017229
  F         9.9755469444        8.3841663050       18.4783676178
  C        11.2683633982        8.6552975485       18.8576156423
  F        11.9384694365        7.4716582814       18.8339119177
  F        11.2179045336        9.0215880197       20.1772944342
  C        11.8542042550        9.7347133317       18.0004237686
  C        11.4033884841       11.0426701848       18.1974866032
  C        11.8752376720       12.0216391466       17.3224751120
  C        12.7583223262       11.6948558533       16.2837896269
  C        13.2470861427       10.3944372098       16.0897779500
  C        12.7628894275        9.4209451243       16.9853260720
  B        14.1563698579        9.9817828151       14.7896853203
  C        15.1697684498       11.1776177788       14.3314210952
  C        15.7849036490       12.0272421475       15.2640897381
  C        16.7033573964       13.0048457059       14.8588580387
  C        17.0858671274       13.1273040824       13.5198366948
  C        16.5108495026       12.2674608617       12.5771503764
  C        15.5623309529       11.3206895486       12.9854512642
  C        16.8485039557       12.3889021443       11.1044925672
  F        17.8557101835       13.2700839775       10.8512245967
  F        15.7765555087       12.8186698267       10.3440039462
  F        17.2342147644       11.1899711483       10.5554891141
  C        17.2409737615       13.9426234643       15.8995538728
  F        16.2466734447       14.6757789959       16.4931142889
  F        18.1465556481       14.8397357903       15.3991253700
  F        17.8416627479       13.2574031820       16.9333389522
  C        13.0725040380        9.6271052877       13.5854193468
  C        12.4799816277       10.6602087680       12.8243336300
  C        11.5023269900       10.4163822755       11.8455505714
  C        11.0354726875        9.1179661891       11.6168226308
  C        11.6090628354        8.0800436737       12.3565969235
  C        12.6108176249        8.3244829449       13.3013968270
  C        11.0258879683        6.7033609572       12.2224697159
  F        10.4936734432        6.4950962292       10.9884736993
  F        11.9223265800        5.6945927992       12.4607811080
  F        10.0085006036        6.5005012784       13.1271756865
  C        10.9183611215       11.5322641272       11.0173337235
  F         9.7417924929       11.1788742523       10.4109467546
  F        10.6298309673       12.6572261418       11.7340132372
  F        11.7542219997       11.8902277577        9.9839201301
  C        15.1823259765        8.7462788425       15.0773957333
  C        15.8426692543        8.5714697389       16.3077420921
  C        16.7775177768        7.5479558450       16.4787616811
  C        17.0871079181        6.6748723018       15.4366533909
  C        16.4748646763        6.8461510865       14.2060555652
  C        15.5461491215        7.8844491956       14.0284236556
  C        17.4579977870        7.2374183766       17.7734646125
  F        17.6119258192        8.3165141478       18.6118980898
  F        16.7921591769        6.2596148276       18.4758530834
  F        18.7086865748        6.7273910913       17.5294358751
  C        11.3873977991       13.4329148927       17.4326296190
  F        10.7846783467       13.6721311513       18.6268021809
  F        10.4798588289       13.7358589034       16.4295884442
  F        12.4017795350       14.3422147304       17.3030714221
  F        17.6290937554        4.8808516103       13.4801170881
  F        17.3750277534        6.5320319038       12.0200788251
  F        15.6560911343        5.2735357100       12.6052140192
  C        16.7859739907        5.8930084337       13.0834983301
  H        10.6900309478       11.2844404518       18.9843264512
  H        13.0234366737       12.4821515150       15.5802715961
  H        13.0876623792        8.3921424958       16.8760614654
  H        15.5612585223       11.9104785494       16.3253272063
  H        17.8002703396       13.8890646478       13.2268715576
  H        15.1080896165       10.6788233221       12.2316274741
  H        12.7808040590       11.6872936334       13.0323204197
  H        10.2107680705        8.9201324523       10.9367821151
  H        13.0047287791        7.4594739227       13.8362697012
  H        15.6450401297        9.2615391411       17.1234227617
  H        17.7964596795        5.8750186308       15.6148894452
  H        15.0861360096        8.0284367323       13.0527953701
  F         2.7264479541       18.6297921320       20.1015522710
  C         2.6891399231       18.2802648258       18.7723456639
  F         1.3614467039       18.0116477389       18.4875298015
  F         3.3566090595       17.0923517818       18.6348168639
  C         3.2712184891       19.3659440716       17.9119812999
  C         4.1175235757       19.0373326704       16.8435021869
  C         4.6635444221       20.0082428833       15.9734839742
  C         4.2634827455       21.3285621279       16.2222386870
  C         3.4355198621       21.6592499783       17.2997463627
  C         2.9387532513       20.6982561115       18.1709002385
  C         2.9193174678       23.0485372186       17.4382560817
  F         2.2993136159       23.2895255679       18.6299453300
  F         3.9108793484       23.9748685908       17.3103040955
  F         1.9897193902       23.2909446317       16.4383273892
  B         5.6026100870       19.6267930351       14.6735029853
  C         6.6570184894       18.4251360601       14.9818126929
  C         7.2789035380       18.2982975654       16.2367815002
  C         8.2378587256       17.3147422948       16.4870931866
  C         8.6119974325       16.4124492173       15.4969468836
  C         8.0164342580       16.5283038269       14.2397298565
  C         7.0809524356       17.5438425046       13.9733446583
  C         8.4064129682       15.5869768942       13.1417063760
  F         7.3086790192       15.0293639775       12.5403735225
  F         9.2108644180       14.5644221008       13.5676852756
  F         9.1099029683       16.2367021819       12.1626827058
  C         8.7807161107       17.1572489058       17.8710255949
  F         8.9125146424       18.3718431022       18.4879081501
  F        10.0132766080       16.5641482329       17.8934828876
  F         7.9666056596       16.3896556908       18.6899396469
  C         6.6328436737       20.8254643308       14.2662983703
  C         7.2094231226       21.6647925935       15.2336875072
  C         8.1594399403       22.6317519608       14.8879513009
  C         8.5781713568       22.7899457163       13.5628750099
  C         8.0120923383       21.9648289708       12.5889074483
  C         7.0726727072       20.9901742736       12.9447153480
  C         8.3846257506       22.1110432370       11.1402551426
  F         8.8175414756       20.9009546016       10.6318753666
  F         9.3692763595       23.0311835361       10.9286480726
  F         7.3231232652       22.5098687593       10.3487237197
  C         8.6758629515       23.5796596895       15.9281554965
  F         9.5873742251       24.4624931213       15.4119694134
  F         7.6907257319       24.3537587828       16.5014841543
  F         9.2755884801       22.8833712388       16.9513067518
  C         4.5454527188       19.2628320144       13.4669207954
  C         4.0483940817       17.9629734649       13.2575560611
  C         3.0741522171       17.7013664270       12.2828596746
  C         2.5585608979       18.7090210601       11.4797774720
  C         2.9995320537       20.0201791465       11.6955384979
  C         3.9795169350       20.2792718041       12.6652465723
  C         2.3892059373       21.1292345877       10.8813097706
  F         2.3664080776       20.7828604186        9.5418961695
  F         1.0821869709       21.3973874038       11.2264548004
  F         3.0369539066       22.3216304579       11.0018740962
  C         2.4964043250       16.3232350703       12.1671282685
  F         1.9299917769       16.0515670205       10.9483220803
  F         3.4343644421       15.3620293136       12.3974828704
  F         1.5194846607       16.1211828958       13.1252734509
  H         4.3617374805       17.9879269379       16.7040297630
  H         4.5781804279       22.1094978884       15.5334356466
  H         2.2863147259       21.0172449952       18.9788565314
  H         7.0071938434       18.9597653569       17.0544294936
  H         9.3462826112       15.6472201655       15.7290718983
  H         6.6637076194       17.6774898741       12.9707240178
  H         6.8635038963       21.5964103988       16.2639528289
  H         9.2864853649       23.5744416524       13.3151439756
  H         6.6540255665       20.3484698237       12.1717357865
  H         4.4115973971       17.1208456318       13.8465442505
  H         1.8504698467       18.4154338294       10.7086633260
  H         4.3245231858       21.3028444799       12.7916347851
  F        15.6794665924        1.2808329134       -0.3004854917
  C        15.7140861191        1.6407043286        1.0288224744
  F        17.0446428972        1.9008602111        1.3098862002
  F        15.0494145782        2.8258852823        1.1603465644
  C        15.1343062278        0.5745860857        1.9122294152
  C        14.3072760096        0.9113627878        2.9933137171
  C        13.7913888400       -0.0631182444        3.8742319376
  C        14.2116445112       -1.3836911564        3.6475054274
  C        15.0342584341       -1.7251250443        2.5617829438
  C        15.4841168728       -0.7578427828        1.6645110186
  C        15.5056056093       -3.1374839842        2.3787216253
  F        16.1068996520       -3.3737973348        1.1718807484
  F        14.4951672753       -4.0517019730        2.4881982272
  F        16.4224524174       -3.4497395285        3.3632613068
  B        12.8235794681        0.2636331628        5.1659259648
  C        11.7462788007        1.4615984688        4.8742429424
  C        11.1599799171        1.5646840503        3.5981033075
  C        10.1915764992        2.5342274644        3.3015056691
  C         9.7584705186        3.4282979029        4.2916656063
  C        10.3243387886        3.3376024382        5.5708684920
  C        11.2932907668        2.3636334721        5.8507691339
  C         9.9694099394        4.3058559500        6.6716036749
  F        11.0906137739        4.8744531610        7.2489131761
  F         9.1909555852        5.3403998301        6.2324245379
  F         9.3007279855        3.6822135300        7.6972575479
  C         9.6424355917        2.7287206711        1.9055187718
  F         9.4946333877        1.5402323805        1.2425833688
  F         8.4049425741        3.3405265928        1.9050295176
  F        10.4462755466        3.5235762617        1.1058501648
  C        11.8188384789       -0.9850853650        5.5493423215
  C        11.2747633198       -1.8619679131        4.5910038868
  C        10.3055065134       -2.8144374285        4.9215596354
  C         9.8433295814       -2.9687758551        6.2306127290
  C        10.3580961883       -2.0975908648        7.1980381325
  C        11.3126329584       -1.1313204141        6.8553290027
  C         9.9731852991       -2.1927897396        8.6491921405
  F         9.5872420772       -0.9745818888        9.1620758060
  F         8.9557935959       -3.0610148019        8.8703064087
  F        11.0175834087       -2.6047517265        9.4502783289
  C         9.7526045174       -3.6986133139        3.8451988067
  F         8.8156276016       -4.5644280748        4.3205559597
  F        10.7161701834       -4.4517303347        3.2212644762
  F         9.1367266786       -2.9651348554        2.8520213677
  C        13.8881311203        0.5994973427        6.3581626316
  C        14.3817196722        1.8995734489        6.5793786297
  C        15.3380945039        2.1918227239        7.5645331528
  C        15.8429963139        1.1665603013        8.3647176563
  C        15.4048410791       -0.1374502657        8.1174072355
  C        14.4607643968       -0.4282080577        7.1353364014
  C        16.0217000902       -1.2302741014        8.9240088321
  F        16.0418841734       -0.8746837008       10.2595255751
  F        17.3265050106       -1.4886431125        8.5720604173
  F        15.3706923343       -2.4173570347        8.7980303331
  C        15.9103466151        3.5810782828        7.6549331398
  F        16.4787190532        3.8634077461        8.8645238913
  F        14.9709087828        4.5407970818        7.4038426904
  F        16.8828979390        3.7869070303        6.6815259577
  H        14.0430335199        1.9591955530        3.1298691655
  H        13.8153715387       -2.1488316811        4.3159434140
  H        16.0944544237       -1.0472367840        0.8117735119
  H        11.5256825433        0.8795875207        2.8358738280
  H         9.0212303767        4.1762536611        4.0131675192
  H        11.7435413139        2.3407635381        6.8435950277
  H        11.6156686227       -1.8316573402        3.5576041288
  H         9.1618248707       -3.7835453362        6.4592828949
  H        11.6870755976       -0.4982845893        7.6582329974
  H        14.0110679508        2.7091713511        5.9508322418
  H        16.5919282554        1.3612800227        9.1253600767
  H        14.1756304158       -1.4693998807        6.9774419650
  H        10.7660811215       11.7575109463        4.8842829287
  H        12.2622584360       10.6393494024        3.4290320709
     646
 i =       14, E =         0.0325081658
 Rh         3.6345819751        0.2518870861        4.8285218971
  P         5.3816511092        0.6454625277        6.2846308893
  C         5.2703097610       -0.3005027767        7.8728146281
  C         4.8115040248       -1.7516093000        7.6175670637
  C         4.4958389419       -2.4489775885        8.9478509908
  C         5.6838713972       -2.3280873916        9.9146119333
  C         6.1701310840       -0.8894395231       10.1384652974
  C         6.4909780742       -0.1943045387        8.8113732862
  C         5.6612122434        2.4059749194        6.7930734108
  C         4.6723318944        2.8279384203        7.9061292599
  C         4.7020691589        4.3391029345        8.1780684707
  C         4.5648174377        5.1509481587        6.8919049720
  C         5.6943005473        4.8077742476        5.9265311870
  C         5.5855433737        3.3253389514        5.5470219308
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  H        13.2589557783        9.7748720591        8.2520055118
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  H        11.5554063987        7.2693074722        5.2062142482
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  F         7.3316453530       10.8312981208       -0.2883473166
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  C         7.0278918460        8.8484183653        1.6673534092
  C         6.4650360230        7.8461782942        2.4531819427
  C         5.5448974554        8.1639163679        3.4633620124
  C         5.1518117403        9.4919266040        3.7438363065
  C         5.7086540635       10.4866193641        2.9050106843
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  C         2.5704551796        7.8586809400        4.6496917425
  C         1.6719275254        6.8691516988        5.0726781187
  C         1.3275279516        6.7364784381        6.4261955354
  C         1.9259775204        7.6310174152        7.3301634057
  C         2.8703855368        8.5722351174        6.8950146525
  C         1.5982400098        7.5443520263        8.7986956202
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  F         2.6867143853        7.1627907874        9.5402530428
  F         1.1761528057        8.7382968814        9.3179628584
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  F         0.2494637210        5.0631705804        4.3331419475
  F         0.7079589048        6.7220214245        2.9313589918
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  C         5.9590798569        9.1750222574        6.9463740754
  C         6.9054969550        9.3940131017        7.9479419400
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  C         5.8526805686       11.4985501734        6.5035356570
  C         7.3271104926       13.1415520631        7.6969789466
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  F         6.3484067322       14.0800611401        7.4854354391
  F         8.3322816041       13.4823390352        6.8163592278
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  F         7.4242881769        7.0996243143        7.7799917578
  F         6.2871984115        7.7359286293        9.5339850538
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  C         2.6140136262       11.2764959745        3.5418647672
  C         1.6831560597       12.2910112078        3.2901071079
  C         1.3032451070       13.1942462370        4.2717005494
  C         1.8652490058       13.0367361413        5.5382322785
  C         2.7848571048       12.0038115814        5.8007999970
  C         1.1071953585       12.3872777850        1.9194993146
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  F         1.8835991478       13.1609458893        1.0969148621
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  F         7.4939915558        5.8843965582        3.2995314702
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  F         0.9564673030       13.3787980336        7.7071589262
  F         2.7355894943       14.5649804930        7.1217617042
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  H         3.2081065822       11.9341853215        6.8034965215
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  F        11.2181004838        9.0215649503       20.1775475074
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  C        11.4009905579       11.0432043901       18.1983763515
  C        11.8738126284       12.0220900152       17.3237825376
  C        12.7567117858       11.6953384102       16.2846163367
  C        13.2468615706       10.3955644864       16.0915549227
  C        12.7640395844        9.4227225307       16.9884042704
  B        14.1560032184        9.9817641288       14.7915795252
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  C        15.7867570888       12.0248281383       15.2671198119
  C        16.7036047928       13.0033524538       14.8603206791
  C        17.0850864589       13.1259108459       13.5211912188
  C        16.5098177838       12.2668213916       12.5780347587
  C        15.5605839867       11.3210127810       12.9873970095
  C        16.8469477468       12.3888684541       11.1045895005
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  F        15.7722779506       12.8183225644       10.3447864864
  F        17.2336337748       11.1904866696       10.5550241516
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  F        18.1463485495       14.8397782513       15.3985964161
  F        17.8418850208       13.2576443449       16.9333322114
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  C        12.4805568028       10.6592751682       12.8249902856
  C        11.5026910088       10.4166215928       11.8461430763
  C        11.0334816620        9.1187001900       11.6184663620
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  C        11.0257304515        6.7033878335       12.2218221157
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  F        11.9222522942        5.6946655814       12.4604029601
  F        10.0085264294        6.5006387704       13.1269220397
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  F        10.6296556463       12.6574801749       11.7339785238
  F        11.7539226557       11.8904043831        9.9839262515
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  C        15.8440265034        8.5747774264       16.3086789049
  C        16.7785864661        7.5502844097       16.4791014714
  C        17.0868852882        6.6771306819       15.4370829529
  C        16.4752781945        6.8473814706       14.2067803149
  C        15.5457209391        7.8862521956       14.0298898036
  C        17.4587522905        7.2392707233       17.7734079392
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  F        16.7926426747        6.2608215663       18.4750954262
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  F        10.4797733201       13.7360082406       16.4294828425
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  H        17.7964488229        5.8773975818       15.6167418110
  H        15.0847775421        8.0316201180       13.0549016434
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  F         3.3566545262       17.0929093198       18.6351336243
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  C         8.2402456553       17.3166645906       16.4862151485
  C         8.6125153000       16.4140209855       15.4962235737
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  C        15.5047020254       -3.1369160121        2.3790731296
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  F        14.4945274289       -4.0514573457        2.4877403089
  F        16.4220069930       -3.4494546186        3.3628266038
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  C        11.1589203558        1.5596872182        3.6015305264
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  C        10.3215464020        3.3354446086        5.5715052845
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  C         9.9680373698        4.3055134589        6.6712041561
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  F         8.4047649624        3.3404049790        1.9051081096
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  C        14.3810799440        1.8982083734        6.5815527969
  C        15.3366683945        2.1916774151        7.5669755569
  C        15.8402005660        1.1664142802        8.3686708232
  C        15.4037396839       -0.1377816020        8.1193172528
  C        14.4613040618       -0.4299118630        7.1367292528
  C        16.0216153845       -1.2303287919        8.9244057371
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  F        15.3706399538       -2.4173945045        8.7976065424
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  F        14.9703257633        4.5409433165        7.4035157067
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  H        11.5285584207        0.8728390701        2.8426843134
  H         9.0194249964        4.1703684286        4.0088805781
  H        11.7416719059        2.3427695802        6.8461152432
  H        11.6222708895       -1.8392559706        3.5590587323
  H         9.1617600004       -3.7875248918        6.4548331298
  H        11.6841120673       -0.5016044472        7.6590104692
  H        14.0111485214        2.7067811191        5.9510692635
  H        16.5876142988        1.3602613382        9.1309113536
  H        14.1791391570       -1.4718209064        6.9771538481
  H        10.7625638618       11.7616799633        4.8768690388
  H        12.2524024722       10.6333547753        3.4327675051
     646
 i =       15, E =         0.0325664218
 Rh         3.6327664423        0.2522402029        4.8281351693
  P         5.3799785182        0.6443259366        6.2837280660
  C         5.2728188104       -0.2994984817        7.8735439098
  C         4.8098875174       -1.7494465134        7.6192854536
  C         4.4949670336       -2.4463012819        8.9499121401
  C         5.6831177691       -2.3219221894        9.9162765821
  C         6.1711258114       -0.8837965895       10.1396865195
  C         6.4941033146       -0.1915382026        8.8117831454
  C         5.6601615935        2.4044512845        6.7916428524
  C         4.6725813749        2.8256970644        7.9065237080
  C         4.6979813600        4.3373188330        8.1767753615
  C         4.5629566638        5.1479212634        6.8896430313
  C         5.6970395877        4.8065648824        5.9290795301
  C         5.5849001645        3.3251222055        5.5463808311
  C         6.9914227822        0.1082025563        5.4892593959
  C         6.9408656020        0.2368029018        3.9623096159
  P         5.3076795496       -0.2500054831        3.2765212973
  C         5.5134999189       -2.0361733235        2.7681567943
  C         4.3690096050       -2.4529713035        1.8219359441
  C         4.3740833462       -3.9554255861        1.5166646057
  C         4.2653755171       -4.7649751013        2.8188051737
  C         5.4435773833       -4.4222698277        3.7447100236
  C         5.4979358506       -2.9030759871        4.0455366114
  C         5.1595798570        0.7076593558        1.7082118922
  C         4.8441933646        2.2120279620        1.9515036651
  C         4.3881063797        2.8431945972        0.6237495877
  C         5.4698831589        2.6596415628       -0.4471161550
  C         5.8924069461        1.2006372319       -0.6506453051
  C         6.3080426630        0.5424479946        0.6766285086
  C         1.9113028920        0.2727763950        3.4740342098
  C         1.9027801583       -0.9607246325        4.1319053196
  C         1.0608292838       -0.7737862116        5.4025333450
  C         1.9205871184        0.1923395745        6.2503677655
  C         1.9021446927        1.4264812152        5.5992619968
  C         1.0510491367        1.2291359491        4.3277778316
  C        -0.0045029380        0.2472173962        4.9079980658
  H         4.4434157740        0.1801820545        8.4190089115
  H         5.5779677264       -2.3501692422        7.1098047403
  H         3.9472891143       -1.7331476306        6.9291019608
  H         4.3041272669       -3.5090857048        8.7422155860
  H         3.5911255517       -2.0402509613        9.4297388834
  H         5.4271880913       -2.7622367655       10.8859951669
  H         6.5223281516       -2.9126281634        9.5203812532
  H         7.0810939383       -0.9047301078       10.7594661201
  H         5.4353437976       -0.2742572351       10.6898118761
  H         6.7716830348        0.8547566920        9.0201878113
  H         7.3758203264       -0.6895650397        8.3913252626
  H         6.6830008106        2.4095028848        7.2072679352
  H         4.9150763043        2.2776849725        8.8311230517
  H         3.6479807412        2.5538668348        7.6141568133
  H         5.6411456000        4.6049510761        8.6747209545
  H         3.8793787402        4.6249875690        8.8509452428
  H         4.5662134879        6.2174741445        7.1274783630
  H         3.5865834155        4.9495393008        6.4153349867
  H         6.6589271134        5.0200695342        6.4210542376
  H         5.6583718677        5.4433987760        5.0349062841
  H         6.3619059183        3.0500771743        4.8188807701
  H         4.6186384837        3.1778958281        5.0284075695
  H         7.8258961395        0.7176896193        5.8542262276
  H         7.1638942947       -0.9261313334        5.8207001478
  H         7.7346175916       -0.3253866992        3.4483640250
  H         7.0628239366        1.2962094044        3.6865795959
  H         6.4975467822       -2.1379938744        2.2840105411
  H         4.3676128521       -1.8689188941        0.8914140841
  H         3.4333817645       -2.2187027843        2.3496153462
  H         5.2863338043       -4.2045269799        0.9526902709
  H         3.5466450579       -4.2167475153        0.8428068725
  H         4.1906325655       -5.8337674794        2.5683217820
  H         3.3203918794       -4.5279650999        3.3282605429
  H         5.4096287270       -4.9557326783        4.7079928753
  H         6.3498328227       -4.7484648488        3.2166042786
  H         6.3671091100       -2.6507106967        4.6692866273
  H         4.6203131065       -2.5804799694        4.6351890715
  H         4.2682209598        0.2087570607        1.2971098371
  H         5.7414906400        2.7234688761        2.3397455259
  H         4.0757959406        2.3550958797        2.7287609492
  H         4.2066059510        3.9263593655        0.7043246499
  H         3.4288427940        2.3761867379        0.3498741614
  H         6.3158856731        3.2707822515       -0.0931042255
  H         5.1316480676        3.0710742483       -1.4059027518
  H         6.6806050470        1.1144551726       -1.4186411618
  H         5.0378251156        0.6324515924       -1.0475485791
  H         7.2119229078        1.0363112795        1.0579380579
  H         6.5414325715       -0.5152577114        0.4893950879
  H         2.2334763384        0.4720057849        2.4573229089
  H         2.1740744464       -1.9281055064        3.7177957848
  H         0.7371932911       -1.6869207323        5.9084711763
  H         2.1454313645        0.0730976933        7.3012792477
  H         2.0944064993        2.3867881329        6.0788231063
  H         0.7143858129        2.1398533299        3.8250359586
  H        -0.5270662632        0.7027146189        5.7579162344
  H        -0.7065684165       -0.1381919811        4.1652723199
 Rh        14.7460890032       19.6443317174       14.9357495736
  P        12.9689728736       19.2177722509       13.4781240288
  C        13.1319631133       20.2136022648       11.9348478108
  C        13.5211662569       21.6752417394       12.2302584833
  C        13.8295749887       22.3788318927       10.9067284817
  C        12.6717150355       22.2790432695        9.9102637866
  C        12.2563578042       20.8243533870        9.6566698159
  C        11.9418545723       20.0873691194       10.9683805526
  C        12.6918732183       17.4714807502       12.8848545543
  C        13.7244717352       17.0465741740       11.8275876747
  C        13.6240421681       15.5434328260       11.5328677369
  C        13.7666539947       14.6898135046       12.7949906836
  C        12.6513910051       15.0446015285       13.7759466669
  C        12.7201217003       16.5418598337       14.1150605029
  C        11.3494981762       19.7201009617       14.2868166858
  C        11.4753348701       19.6723187665       15.8202120189
  P        13.1210841323       20.1554177297       16.5084056958
  C        12.9104274914       21.9318281332       17.0081373234
  C        14.0011535952       22.3615704201       18.0104563854
  C        14.0430321075       23.8864772516       18.2262314243
  C        14.0803513506       24.6716453062       16.9139668452
  C        12.8859955697       24.2831334404       16.0480613690
  C        12.9622608263       22.7844111307       15.7313596445
  C        13.3116555994       19.1883434490       18.0886866612
  C        13.5877902862       17.6989268061       17.7867047111
  C        14.0119185661       16.9672598335       19.0671770580
  C        12.9641029212       17.1263569761       20.1676197764
  C        12.5909346550       18.5952660713       20.4167090468
  C        12.1821934650       19.3498790643       19.1287975285
  C        16.4643199969       19.6430262860       16.3122946560
  C        16.4804435858       20.8465862722       15.6055332720
  C        17.3460072734       20.6044429862       14.3535170462
  C        16.4764265815       19.6166989458       13.5270359575
  C        16.4741235003       18.4221705253       14.2488857958
  C        17.3307414148       18.6594150276       15.5084571200
  C        18.4051178481       19.6208691200       14.9156794441
  H        14.0314510122       19.7864227858       11.4504504951
  H        12.7385186441       22.2342104387       12.7663317968
  H        14.4230924229       21.6445658421       12.8690291943
  H        14.1104836630       23.4271920620       11.0822291785
  H        14.6958310120       21.8599485544       10.4734170022
  H        12.9713315460       22.7156947442        8.9473831753
  H        11.8104655667       22.8578877127       10.2745108948
  H        11.3987630278       20.8220399475        8.9663627869
  H        13.0742549914       20.2951939790        9.1377250693
  H        11.6908394172       19.0345521157       10.7764682476
  H        11.0591952488       20.5365321977       11.4404716716
  H        11.6844238249       17.4124078759       12.4397253926
  H        13.6032136690       17.6021992313       10.8840651188
  H        14.7369577432       17.2559430495       12.2025385159
  H        12.6568921033       15.3222512576       11.0549018929
  H        14.4166422347       15.2869717331       10.8224247109
  H        13.7831787458       13.6230791801       12.5268954457
  H        14.7405715886       14.8674226331       13.2773152225
  H        11.6713744126       14.7874590649       13.3428561361
  H        12.7701121280       14.4898394214       14.7168842963
  H        11.8791059954       16.8174110349       14.7625630326
  H        13.6440062058       16.7275348149       14.6905691640
  H        10.5316094818       19.0376648777       13.9985048931
  H        11.0758667000       20.7253277902       13.9190189654
  H        10.6952960520       20.2725545914       16.3043933366
  H        11.3587683034       18.6305334286       16.1533685162
  H        11.8972236718       22.0599750974       17.4285212866
  H        13.8481163376       21.8707343613       18.9786960050
  H        14.9613763524       21.9703066566       17.6433787093
  H        13.1449160643       24.1915601268       18.7849116317
  H        14.8820954084       24.1752529249       18.8698505145
  H        14.1073154360       25.7470377897       17.1388171089
  H        14.9842010489       24.4370305679       16.3333816105
  H        12.8900537161       24.8177244174       15.0887870485
  H        11.9539098363       24.5155157543       16.5844824754
  H        12.1448224865       22.4874969199       15.0601983596
  H        13.9101637266       22.5710318959       15.2037113401
  H        14.2154337852       19.6302825650       18.5491646909
  H        12.6686345591       17.2475756831       17.3853138901
  H        14.3580871973       17.6073574998       17.0049514673
  H        14.2165617308       15.8983641768       18.8995221083
  H        14.9623304895       17.4016600656       19.4150453689
  H        12.0349472482       16.5861499006       19.9317623790
  H        13.3661567795       16.6652101838       21.0819537621
  H        11.7811829549       18.5754228193       21.1609475654
  H        13.4506499004       19.1411750834       20.8325802147
  H        11.2235525730       18.9608776133       18.7608467171
  H        12.0519057542       20.4227924744       19.3324102369
  H        16.0891427167       19.4674491071       17.3124949874
  H        16.1957404217       21.8281562998       15.9746573912
  H        17.7206262524       21.4928719897       13.8427638520
  H        16.2290311614       19.7359617623       12.4733017866
  H        16.2215240953       17.4254007126       13.8952626013
  H        17.6204172813       17.7492982186       16.0352287033
  H        18.9846121753       19.1530145533       14.1121361799
  H        19.0865754401       20.0945197364       15.6314848505
 Rh         5.9649912862       10.0521715328       15.0113925469
  P         4.1793717674        9.6155603247       13.6112330914
  C         3.7276900882        7.8718379405       13.1028985914
  C         3.7503836100        6.9585119419       14.3343337121
  C         3.7310390056        5.4709946933       13.9490689851
  C         4.8752332553        5.0981448777       13.0055111810
  C         4.7542233927        5.9096841727       11.7148499161
  C         4.7367284588        7.4178089108       12.0344731411
  C         2.6002488579       10.2260660461       14.3801946112
  C         2.6247941220       10.1117942712       15.9088533318
  P         4.3288248586       10.5898592789       16.5237241061
  C         4.1549707463       12.3728063260       17.0362491101
  C         4.0580652059       13.2627322252       15.7682688776
  C         4.1145637638       14.7673133538       16.0836155571
  C         5.3693559487       15.0569928038       16.9336842967
  C         5.3498811495       14.2663024577       18.2548904925
  C         5.2946402180       12.7515536088       18.0117650709
  C         4.5766259329        9.6599772825       18.0907812268
  C         4.8511389069        8.1708603825       17.8359672882
  C         5.1305745265        7.4235840041       19.1374396075
  C         3.9547251323        7.5774543296       20.1100706022
  C         3.4037259869        9.8364369396       19.0580943632
  C         3.6886115834        9.0728651996       20.3629632548
  C         4.3958422842       10.5870641158       12.0430043831
  C         4.7753116294       12.0616371178       12.3093758002
  C         5.0550247020       12.7790747324       10.9713865928
  C         3.8963960559       12.6606924799        9.9700582848
  C         3.4498945711       11.2086198581        9.7781435047
  C         3.1759309948       10.4841102528       11.1113236893
  C         7.8123831856       11.2098455018       15.6276912240
  C         7.5985840446        8.7177964587       14.3301168036
  C         8.5030740798        8.9377353711       15.5601687088
  C         9.6160413632        9.8295131045       14.9357687974
  C         8.6093000612       10.8524283628       14.3559362239
  C         7.7272677050       10.0151295099       16.3589499786
  C         7.6579646628        9.9087336057       13.5995355168
  H         2.6909102937        7.9001781623       12.7191836239
  H         4.6676787809        7.1660748834       14.9035153197
  H         2.8973513544        7.1979782659       14.9845779155
  H         2.7913469219        5.2079860718       13.4428590437
  H         3.7866091317        4.8850473872       14.8709289573
  H         5.8495777031        5.3199284633       13.4650119325
  H         4.8613601814        4.0110385090       12.8280821550
  H         5.5807126181        5.6787893149       11.0276393570
  H         3.8368323193        5.6397347253       11.1763008064
  H         4.5276977333        7.9857133056       11.1267277660
  H         5.7366753150        7.7199627835       12.3827061732
  H         2.4785239874       11.2754463588       14.0840405882
  H         1.7673928005        9.6581732457       13.9505237009
  H         1.8509296899       10.7487601472       16.3611661085
  H         2.3844271112        9.0898526147       16.2343850169
  H         3.1814791045       12.4546749767       17.5497466659
  H         4.8665566979       13.0185248989       15.0648145103
  H         3.1063214787       13.0157578726       15.2717978491
  H         4.0440689150       15.3485514813       15.1427084638
  H         3.2072036580       15.0388718858       16.6393849262
  H         5.5033931667       16.1217505781       17.1627283128
  H         6.2902896547       14.7745181422       16.3965041246
  H         6.2502090150       14.5201652106       18.8301381809
  H         4.5085360315       14.5697652439       18.8954011843
  H         6.2626693603       12.4095442824       17.6163974070
  H         5.1787026498       12.2070908614       18.9637879984
  H         5.4605763646       10.1129366079       18.5678721005
  H         5.6736270652        8.0142136029       17.1260471850
  H         3.9380810964        7.7499430989       17.4035074839
  H         6.0302608056        7.8541349516       19.6079145518
  H         5.3552185885        6.3718797539       18.9033554568
  H         4.1938105075        7.0571970435       21.0455780226
  H         3.0280386632        7.1045668245       19.7495968183
  H         3.2244480629       10.9126090065       19.2106099739
  H         2.4803256089        9.4185313219       18.6309906507
  H         4.5686723920        9.4869557191       20.8797144188
  H         2.8158290110        9.1803168791       21.0158225894
  H         5.2407021902       10.0891876559       11.5369343361
  H         5.6579945462       12.1396118346       12.9688910822
  H         3.9618681188       12.5562677116       12.8618746883
  H         5.2571906958       13.8436719876       11.1445803342
  H         5.9708620438       12.3541536145       10.5362357470
  H         4.1872932568       13.0728532234        8.9881873543
  H         3.0594627411       13.2740468192       10.3254203318
  H         2.5912832833       11.1686476357        9.0895717579
  H         4.2636572213       10.6669880468        9.2724377214
  H         2.2993100234       10.8923288513       11.6285662866
  H         2.9570017470        9.4272740926       10.9242633592
  H         7.7179630785       12.2268286817       16.0129020759
  H         7.2387030365        7.7506642969       13.9911956715
  H         8.7711004156        8.0583408209       16.1528959288
  H        10.2968140184       10.2551764635       15.6854246805
  H        10.1753543459        9.3700423737       14.1140726094
  H         9.0198930540       11.6590178932       13.7422708854
  H         7.4657495035        9.9060787763       17.4062796696
  H         7.3569964155       10.0945418199       12.5781073306
 Rh        12.5653763009        9.7471964756        4.6524453466
  P        14.2615078394       10.1264535468        6.1712528421
  C        14.3962617435       11.9108970468        6.6931925665
  C        14.7973109938       12.8530435177        5.5413881941
  C        14.8420898293       14.3127318753        6.0195333177
  C        13.5343258814       14.7290580128        6.6964269288
  C        13.2056572831       13.8252018329        7.8936167737
  C        13.1064898219       12.3675909492        7.3977427679
  C        15.9137674164        9.6955890468        5.4245007739
  C        15.8421603195        9.8755008744        3.9006240246
  P        14.2034655124        9.3914730043        3.1917988836
  C        14.2843991717        7.5983125119        2.7228056113
  C        14.5246851445        6.7055731388        3.9479557261
  C        14.4483747296        5.2089205319        3.6179117821
  C        13.1138540976        4.8873519872        2.9061327467
  C        12.9987749340        5.7230208047        1.6159777182
  C        13.0282188690        7.2256234252        1.9222978590
  C        14.0826806521       10.3173327142        1.5857128723
  C        13.8873445679       11.8228409335        1.7995980780
  C        13.4910204838       12.4960076207        0.4855260995
  C        14.5400534247       12.2324503179       -0.5906729585
  C        15.1926527298       10.0669889341        0.5421096671
  C        14.7806689231       10.7251331729       -0.7995454769
  C        14.1049940177        9.2394909106        7.7806863399
  C        13.7644038097        7.7377867555        7.6279049124
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  C         5.7083858871       10.4878895574        2.9044498011
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  C         2.5671504870        7.8593033340        4.6486582092
  C         1.6699991078        6.8691455487        5.0731765642
  C         1.3276050776        6.7365594761        6.4275830882
  C         1.9276804574        7.6313539062        7.3307848347
  C         2.8734657027        8.5705533093        6.8939420585
  C         1.5988703185        7.5447997704        8.7993195030
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  F         2.6868869518        7.1628524826        9.5408416436
  F         1.1759866915        8.7384934063        9.3183487835
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  F         0.2484999522        5.0628942376        4.3335868137
  F         0.7065530467        6.7218514918        2.9317195820
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  C         6.9080804172        9.3942189377        7.9478358402
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  C         5.8505039032       11.4970122137        6.5055730368
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  F         6.3477580228       14.0801098194        7.4855544023
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  F         7.4241672834        7.0996104837        7.7802490293
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  C         1.8633433448       13.0362768235        5.5388974957
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  F        11.2183009302        9.0215352053       20.1778257883
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  C        13.2466232903       10.3964675714       16.0933004569
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  C        15.7886132925       12.0223773602       15.2699519373
  C        16.7037930196       13.0017792590       14.8619123964
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  C        16.5087173859       12.2661477329       12.5787718953
  C        15.5588145772       11.3213431523       12.9893800200
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  F        15.7675242754       12.8179215949       10.3456289469
  F        17.2329942133       11.1910466693       10.5545444682
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  F        18.1461465595       14.8398165169       15.3980732260
  F        17.8421144319       13.2578694351       16.9333307882
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  C        11.5028442302       10.4167898086       11.8466517829
  C        11.0315642621        9.1194383483       11.6202515157
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  C        11.0255671350        6.7033485886       12.2212096149
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  F        11.9221725708        5.6947423169       12.4600240600
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  F        10.6294712103       12.6577233239       11.7339397361
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  C        15.5456176387        7.8876846506       14.0314087147
  C        17.4595035552        7.2408506069       17.7731467477
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  F        16.7930977739        6.2619290241       18.4743756987
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  C        14.3105510135        0.9153278453        2.9961587958
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  F        14.4938777657       -4.0512235737        2.4872889919
  F        16.4215649955       -3.4491714493        3.3624095529
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  C        11.1579355503        1.5546831014        3.6049679192
  C        10.1903918986        2.5245161301        3.3030257495
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  F         8.4045817692        3.3402841749        1.9051938827
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  C         9.9712194826       -2.1940291779        8.6479664068
  F         9.5869856787       -0.9747734640        9.1612222400
  F         8.9540995310       -3.0614514949        8.8702450083
  F        11.0169595440       -2.6045280262        9.4487635819
  C         9.7522169167       -3.6994326349        3.8438375123
  F         8.8146941893       -4.5643728050        4.3195963406
  F        10.7154495069       -4.4517640584        3.2200144029
  F         9.1358246631       -2.9648128513        2.8515442400
  C        13.8868095826        0.5963046227        6.3631733787
  C        14.3803566210        1.8968571912        6.5836220533
  C        15.3354448421        2.1913899765        7.5695804745
  C        15.8373368955        1.1663554465        8.3724403212
  C        15.4028124044       -0.1379848146        8.1213640540
  C        14.4617038487       -0.4315759497        7.1379852269
  C        16.0215292087       -1.2304531633        8.9248092071
  F        16.0420028393       -0.8745843947       10.2596002051
  F        17.3260606141       -1.4881318433        8.5708165475
  F        15.3706046045       -2.4173963520        8.7972001311
  C        15.9088531527        3.5810653671        7.6560362682
  F        16.4784046840        3.8641993608        8.8643084731
  F        14.9697356700        4.5410704624        7.4031952191
  F        16.8811999325        3.7869896455        6.6811979353
  H        14.0491387120        1.9644534488        3.1299435141
  H        13.8157754197       -2.1384121496        4.3277782034
  H        16.0765647354       -1.0536295614        0.8045991263
  H        11.5312722072        0.8661258055        2.8494045532
  H         9.0176025839        4.1645390759        4.0048010639
  H        11.7397522920        2.3447307900        6.8486244737
  H        11.6288650018       -1.8468199512        3.5605764657
  H         9.1616362410       -3.7913604163        6.4505208122
  H        11.6811745740       -0.5048570021        7.6597375697
  H        14.0112026980        2.7044323202        5.9513379553
  H        16.5832798454        1.3593040939        9.1365052863
  H        14.1826226032       -1.4741912731        6.9769039946
  H        10.7589392609       11.7657829339        4.8694901294
  H        12.2421825431       10.6270617218        3.4365179922
     646
 i =       16, E =         0.0331580590
 Rh         3.6309264016        0.2524918544        4.8278021874
  P         5.3784806389        0.6431977221        6.2829323699
  C         5.2752950549       -0.2984824604        7.8742564294
  C         4.8083168648       -1.7472761550        7.6210857804
  C         4.4941477991       -2.4436242830        8.9520480328
  C         5.6823840337       -2.3157660399        9.9180342307
  C         6.1721443255       -0.8781474680       10.1409135127
  C         6.4972051866       -0.1887814859        8.8121615109
  C         5.6591117967        2.4029423930        6.7902126839
  C         4.6728290875        2.8234734261        7.9068865531
  C         4.6938270367        4.3355353471        8.1754781396
  C         4.5610876224        5.1449229436        6.8873843683
  C         5.6997957639        4.8053413566        5.9316794550
  C         5.5842945554        3.3249143773        5.5457837610
  C         6.9896924002        0.1064293796        5.4875977916
  C         6.9384302443        0.2352731156        3.9610961826
  P         5.3065370289       -0.2501803978        3.2747000337
  C         5.5122293554       -2.0363673748        2.7651887191
  C         4.3667359985       -2.4533712995        1.8203158537
  C         4.3750524229       -3.9550306325        1.5110094439
  C         4.2623561692       -4.7655858776        2.8124519157
  C         5.4378041079       -4.4226770839        3.7421863644
  C         5.4930547351       -2.9029986425        4.0426091405
  C         5.1647149580        0.7092236850        1.7072143670
  C         4.8494685799        2.2142996566        1.9501795764
  C         4.3889226121        2.8422020774        0.6222355281
  C         5.4688527279        2.6569104144       -0.4501421479
  C         5.8951799520        1.1989236797       -0.6519181222
  C         6.3147057145        0.5446151808        0.6761656703
  C         1.9108706091        0.2731446535        3.4731081848
  C         1.9028582152       -0.9618463612        4.1281306904
  C         1.0602664255       -0.7787050502        5.3983919167
  C         1.9180750003        0.1873122366        6.2487926201
  C         1.8976333984        1.4232270365        5.6008644519
  C         1.0483097841        1.2266128728        4.3276480440
  C        -0.0061675434        0.2430790172        4.9074456493
  H         4.4475973943        0.1815022919        8.4219974352
  H         5.5723981358       -2.3518959147        7.1102617967
  H         3.9449799936       -1.7269660563        6.9317894610
  H         4.3081914473       -3.5072654832        8.7438659712
  H         3.5885209575       -2.0418655664        9.4321436572
  H         5.4277398338       -2.7555202474       10.8882112505
  H         6.5218678784       -2.9055042199        9.5213225475
  H         7.0824627994       -0.9015337821       10.7602782046
  H         5.4388634096       -0.2652607770       10.6908540888
  H         6.7746167839        0.8578587956        9.0197340655
  H         7.3799945075       -0.6879334625        8.3953699332
  H         6.6823317247        2.4052211607        7.2049434348
  H         4.9195986668        2.2771249630        8.8314413718
  H         3.6482893545        2.5481977059        7.6175315878
  H         5.6346996494        4.6059756997        8.6762021494
  H         3.8720309728        4.6230099045        8.8458680975
  H         4.5603850249        6.2144870397        7.1247556257
  H         3.5869900349        4.9431669028        6.4094637748
  H         6.6591598711        5.0148404632        6.4304651794
  H         5.6680906665        5.4457644388        5.0397085073
  H         6.3587902245        3.0483464588        4.8162178266
  H         4.6164117909        3.1819386903        5.0293734944
  H         7.8243072112        0.7169965211        5.8500782047
  H         7.1624724641       -0.9273833380        5.8202920477
  H         7.7317910333       -0.3251364709        3.4445836137
  H         7.0582540833        1.2953305153        3.6867833101
  H         6.4970644506       -2.1389872291        2.2828001560
  H         4.3575890061       -1.8654419214        0.8923615992
  H         3.4334347581       -2.2254668553        2.3550729040
  H         5.2890015233       -4.2015913868        0.9486330483
  H         3.5501110483       -4.2171205892        0.8343404174
  H         4.1870915195       -5.8340888260        2.5608957992
  H         3.3155250535       -4.5284465972        3.3184577548
  H         5.4019749084       -4.9552676585        4.7058334532
  H         6.3444749295       -4.7500883316        3.2158776833
  H         6.3602327565       -2.6505529888        4.6689182265
  H         4.6142065907       -2.5777799263        4.6292756868
  H         4.2746337835        0.2098654509        1.2941233045
  H         5.7480110752        2.7264273493        2.3350654117
  H         4.0837268008        2.3594741560        2.7297717672
  H         4.2089280392        3.9260611580        0.6980397678
  H         3.4283734222        2.3743262406        0.3541693395
  H         6.3127426942        3.2711495609       -0.0963470473
  H         5.1292211835        3.0658280473       -1.4093489718
  H         6.6809559871        1.1135815787       -1.4226645497
  H         5.0412315690        0.6272331792       -1.0450431416
  H         7.2172049918        1.0422274123        1.0558479614
  H         6.5514185356       -0.5125480863        0.4901684678
  H         2.2381712291        0.4760146529        2.4586091905
  H         2.1759806742       -1.9279098468        3.7121550682
  H         0.7379560884       -1.6934108214        5.9024266669
  H         2.1384130112        0.0690578993        7.3007552428
  H         2.0813122146        2.3823964386        6.0868598086
  H         0.7105823148        2.1372121318        3.8252448607
  H        -0.5243401785        0.6973791290        5.7609040112
  H        -0.7118365627       -0.1393059793        4.1666370506
 Rh        14.7455833621       19.6451073618       14.9343819718
  P        12.9656844284       19.2175273811       13.4778836867
  C        13.1281315688       20.2138240695       11.9356474945
  C        13.5190310687       21.6748532276       12.2318847250
  C        13.8278778638       22.3764336446       10.9076243121
  C        12.6711642792       22.2761323760        9.9099755686
  C        12.2567506632       20.8213506008        9.6557813608
  C        11.9395019500       20.0856642542       10.9674510582
  C        12.6883177444       17.4720548970       12.8819312417
  C        13.7205537006       17.0470047586       11.8245244220
  C        13.6202276469       15.5432940482       11.5329249990
  C        13.7672956026       14.6919634011       12.7961647910
  C        12.6514641623       15.0449913800       13.7771034086
  C        12.7172201913       16.5431900476       14.1125220283
  C        11.3462987493       19.7185485588       14.2892174477
  C        11.4773277020       19.6763625991       15.8225170361
  P        13.1228610375       20.1579891474       16.5102614772
  C        12.9123530306       21.9347040156       17.0082584908
  C        14.0003806572       22.3667912978       18.0127160110
  C        14.0432785701       23.8928306527       18.2230224849
  C        14.0797088175       24.6752219476       16.9089286595
  C        12.8863716561       24.2823612300       16.0436224944
  C        12.9703766962       22.7835846171       15.7294045129
  C        13.3100038078       19.1900849699       18.0911101353
  C        13.5856353544       17.7007357979       17.7874777477
  C        14.0125786281       16.9684891081       19.0666367071
  C        12.9672543423       17.1269781912       20.1691812962
  C        12.5907629934       18.5950731763       20.4182979184
  C        12.1799752380       19.3508645562       19.1311910091
  C        16.4613670473       19.6439554653       16.3127094963
  C        16.4794056521       20.8471386535       15.6053312895
  C        17.3470978127       20.6036641619       14.3550083750
  C        16.4782177673       19.6148484579       13.5280662376
  C        16.4751058206       18.4211928215       14.2514642385
  C        17.3297026942       18.6599424387       15.5120926411
  C        18.4052496202       19.6200628144       14.9184233624
  H        14.0291426349       19.7883188894       11.4520916766
  H        12.7399347663       22.2364977430       12.7704118128
  H        14.4228828175       21.6400020935       12.8681557376
  H        14.1107132277       23.4245608500       11.0812220736
  H        14.6928486645       21.8539506512       10.4757529010
  H        12.9727065951       22.7115061959        8.9471357028
  H        11.8089791572       22.8548800677       10.2721085556
  H        11.4017573346       20.8196056705        8.9621676882
  H        13.0763537916       20.2920305404        9.1394481371
  H        11.6894982560       19.0323064339       10.7767488854
  H        11.0558743942       20.5348201018       11.4375469941
  H        11.6805927971       17.4126304452       12.4373006837
  H        13.5991567402       17.6006053719       10.8796804822
  H        14.7331414991       17.2568511723       12.1989852674
  H        12.6515694620       15.3205607798       11.0585397561
  H        14.4111422731       15.2864392906       10.8209141498
  H        13.7888728239       13.6248812936       12.5296130322
  H        14.7405708508       14.8746448319       13.2780328223
  H        11.6717532709       14.7835901532       13.3458417557
  H        12.7736106644       14.4938398027       14.7197132031
  H        11.8753230312       16.8195476497       14.7584170593
  H        13.6407544267       16.7307001610       14.6880341821
  H        10.5302696313       19.0302203956       14.0090057807
  H        11.0654520296       20.7202823472       13.9168043237
  H        10.6988868864       20.2775588496       16.3079627094
  H        11.3629669496       18.6350523485       16.1579007051
  H        11.8968815537       22.0655590381       17.4227636455
  H        13.8439037033       21.8802147487       18.9826063218
  H        14.9602889450       21.9711118689       17.6492986652
  H        13.1450031271       24.1996093480       18.7805346669
  H        14.8815409073       24.1849836132       18.8662028868
  H        14.1054810409       25.7509684251       17.1319735323
  H        14.9829611867       24.4407201824       16.3274197990
  H        12.8881809723       24.8151876892       15.0835024241
  H        11.9533514177       24.5109189398       16.5802017766
  H        12.1594292038       22.4814596105       15.0526382253
  H        13.9235882393       22.5726302945       15.2098163868
  H        14.2124889252       19.6317070818       18.5546529135
  H        12.6650089714       17.2506869449       17.3879949947
  H        14.3539241957       17.6095249174       17.0036390041
  H        14.2182836745       15.8995608491       18.9000445622
  H        14.9630190957       17.4042243950       19.4128883799
  H        12.0381637603       16.5847724324       19.9378774742
  H        13.3739783413       16.6676824124       21.0824010769
  H        11.7820519170       18.5701258631       21.1634823932
  H        13.4491818167       19.1437765364       20.8331426792
  H        11.2201581932       18.9639246306       18.7641547816
  H        12.0519498232       20.4239364110       19.3355233557
  H        16.0783797971       19.4672622138       17.3096739232
  H        16.1931521909       21.8288343212       15.9730053161
  H        17.7239163988       21.4913343654       13.8444010838
  H        16.2336248489       19.7317610831       12.4732366245
  H        16.2249017571       17.4234748292       13.8988501630
  H        17.6169478122       17.7501889489       16.0407481559
  H        18.9828875303       19.1507193576       14.1142235469
  H        19.0889678346       20.0947722566       15.6313589646
 Rh         5.9668490238       10.0522946721       15.0110475941
  P         4.1801114535        9.6125623465       13.6133136940
  C         3.7214373449        7.8703480125       13.1033038682
  C         3.7423956761        6.9554352925       14.3330966435
  C         3.7268931799        5.4684483124       13.9454776217
  C         4.8744368615        5.0976946459       13.0051208805
  C         4.7536837348        5.9083005295       11.7137884816
  C         4.7299349308        7.4163575171       12.0345053624
  C         2.6019436379       10.2245005364       14.3818135286
  C         2.6257449678       10.1111237627       15.9101269545
  P         4.3308879841       10.5905666977       16.5219795038
  C         4.1556986867       12.3732284252       17.0349261093
  C         4.0541767954       13.2638173627       15.7675443379
  C         4.1113902488       14.7682768960       16.0837101152
  C         5.3688886076       15.0560268636       16.9312666203
  C         5.3517727843       14.2665101320       18.2534897370
  C         5.2949239157       12.7516042732       18.0114495824
  C         4.5815251126        9.6624755350       18.0888139425
  C         4.8584091897        8.1738804202       17.8352616271
  C         5.1365393137        7.4274333046       19.1371321581
  C         3.9569627098        7.5782571979       20.1058899267
  C         3.4056386797        9.8362158359       19.0525183262
  C         3.6890999685        9.0736661042       20.3580760947
  C         4.3977975416       10.5849048427       12.0456954320
  C         4.7739592389       12.0604234267       12.3122031323
  C         5.0504815480       12.7796348750       10.9742196068
  C         3.8937983468       12.6562767256        9.9711489930
  C         3.4507246813       11.2030667267        9.7807883020
  C         3.1783368832       10.4780039819       11.1139073419
  C         7.8174492575       11.2116153373       15.6256508705
  C         7.5992335748        8.7155001740       14.3317487168
  C         8.5047771786        8.9372108075       15.5607503428
  C         9.6182801026        9.8270290452       14.9338085759
  C         8.6121027913       10.8499383000       14.3532075023
  C         7.7302356892       10.0173371994       16.3578408515
  C         7.6588170416        9.9058639151       13.5999594146
  H         2.6838516285        7.9029156098       12.7218324860
  H         4.6579613166        7.1637136891       14.9045375359
  H         2.8872945497        7.1926855198       14.9814403194
  H         2.7900023983        5.2041001070       13.4347651308
  H         3.7800547695        4.8815721743       14.8668192783
  H         5.8476483284        5.3228861622       13.4654547964
  H         4.8635116663        4.0100601545       12.8301729039
  H         5.5836026388        5.6808226901       11.0294420870
  H         3.8396569848        5.6347114734       11.1713991767
  H         4.5197401504        7.9843647764       11.1272471728
  H         5.7283291962        7.7215780534       12.3842803701
  H         2.4807413690       11.2737854314       14.0856423693
  H         1.7698467696        9.6562281937       13.9515381587
  H         1.8522813647       10.7493811119       16.3613679428
  H         2.3831411805        9.0900576936       16.2368703442
  H         3.1819573049       12.4533942675       17.5483087461
  H         4.8588289179       13.0207478264       15.0593696451
  H         3.0996129769       13.0163341518       15.2765374001
  H         4.0364207104       15.3504010875       15.1434122234
  H         3.2053239269       15.0388077395       16.6420497029
  H         5.5079241026       16.1203879831       17.1593008351
  H         6.2882412240       14.7696345518       16.3933812884
  H         6.2545182981       14.5208209792       18.8247919762
  H         4.5135130102       14.5709561247       18.8975904498
  H         6.2631708183       12.4078182369       17.6180528659
  H         5.1772765096       12.2075118379       18.9636329839
  H         5.4627087016       10.1185958371       18.5681411219
  H         5.6808837738        8.0158167922       17.1257964705
  H         3.9448914861        7.7530522374       17.4037987698
  H         6.0325655682        7.8617096676       19.6113109737
  H         5.3666700104        6.3769373267       18.9026640425
  H         4.1943562772        7.0580202130       21.0417636424
  H         3.0312088868        7.1047440602       19.7435255385
  H         3.2222789558       10.9122961150       19.2017730552
  H         2.4847926291        9.4144641693       18.6235392689
  H         4.5684664694        9.4875977530       20.8761333228
  H         2.8145563281        9.1805557102       21.0085161941
  H         5.2436264031       10.0884872048       11.5397879836
  H         5.6576765757       12.1411433892       12.9702258428
  H         3.9604160929       12.5519749345       12.8671790246
  H         5.2464666150       13.8454794643       11.1471934180
  H         5.9691397483       12.3595381409       10.5403412012
  H         4.1857218666       13.0660880892        8.9884364614
  H         3.0553717339       13.2695089681       10.3231383076
  H         2.5940068557       11.1604181425        9.0898468954
  H         4.2669559469       10.6631490532        9.2771517880
  H         2.2997143496       10.8807791864       11.6319154605
  H         2.9651599589        9.4200749769       10.9266010367
  H         7.7300410021       12.2293568257       16.0117888554
  H         7.2383083499        7.7480996649       13.9944519020
  H         8.7716371350        8.0598198480       16.1571282863
  H        10.3006808168       10.2528175111       15.6820284672
  H        10.1756523638        9.3679821522       14.1105313162
  H         9.0239522755       11.6527994974       13.7352678320
  H         7.4682014585        9.9092602993       17.4052960717
  H         7.3557250818       10.0927569378       12.5794445479
 Rh        12.5689999301        9.7422278747        4.6538505786
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  H        12.2134640137        5.1035774814        3.5112421591
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  H        15.3379471905        8.9862866317        0.4360952732
  H        16.1623139516       10.4933928253        0.8549143105
  H        13.8830020746       10.2091284140       -1.1768474677
  H        15.5610522180       10.5796391614       -1.5614131368
  H        13.2699062316        9.7913377787        8.2533756553
  H        13.0051183321        7.5775652331        6.8522294503
  H        14.6498242686        7.1976476623        7.2737898578
  H        13.0561875535        6.0407755280        8.7505235895
  H        12.4957112165        7.5455799561        9.4282938762
  H        14.3030532466        6.8791485752       10.9637446159
  H        15.4277538461        6.6112211442        9.6332546727
  H        15.8151495245        8.8812237068       10.7237204300
  H        14.0996696797        9.2267656409       10.5007356681
  H        16.2135663264        9.0566351050        8.2513841160
  H        15.4811047469       10.5016445391        8.8980828103
  H        10.6063566825       10.0987924723        2.5430955789
  H        11.1185227604        9.1813848901        7.2267349581
  H         9.1710801944       10.5374579589        6.6002709873
  H         8.0039958236        9.5594625811        4.3300317427
  H         8.2815604282        8.1850390205        5.3865751024
  H         9.9017542991        7.8635525076        3.2628360236
  H         9.1534893904       11.4039505897        4.1899889726
  H        11.5506885486        7.2601358037        5.2020508289
  F         8.4496288661       11.5988195243        1.4623371651
  C         7.2020580564       11.2363625972        1.0315954093
  F         6.4692290254       12.3790105891        1.0248746387
  F         7.3298848647       10.8317219966       -0.2878089625
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  C         7.0407827912        8.8530432414        1.6762401355
  C         6.4713041574        7.8500263508        2.4557097643
  C         5.5435519164        8.1662497152        3.4596803533
  C         5.1508411559        9.4942675637        3.7423622674
  C         5.7082053160       10.4891775261        2.9037737506
  B         4.2426389537        9.8792054348        5.0643286437
  C         3.2261202424        8.6990029526        5.5432872290
  C         2.5638792814        7.8599056134        4.6475954632
  C         1.6681046991        6.8691848962        5.0737918152
  C         1.3277800704        6.7367732567        6.4289956849
  C         1.9292969447        7.6315308971        7.3312469450
  C         2.8764919108        8.5688312863        6.8931067971
  C         1.5995033822        7.5452447688        8.7998732302
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  F         2.6870581016        7.1628924825        9.5414759450
  F         1.1758127539        8.7386648915        9.3187600883
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  F         2.2386141540        5.2419358708        3.4478840671
  F         0.2475188329        5.0626155500        4.3340580534
  F         0.7049407538        6.7216430729        2.9321126972
  C         5.3659754282       10.2079959592        6.2155946633
  C         5.9655751589        9.1725282430        6.9455856888
  C         6.9105745992        9.3946094138        7.9477470639
  C         7.3463370894       10.6826658781        8.2625957836
  C         6.8240245077       11.7338899688        7.4904139543
  C         5.8483071121       11.4955866754        6.5076081110
  C         7.3257413518       13.1415968595        7.6968332512
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  F         6.3471185545       14.0801510372        7.4856850692
  F         8.3309967212       13.4824968050        6.8163929776
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  F         7.4240427336        7.0995572274        7.7804924698
  F         6.2871123282        7.7365521232        9.5339933655
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  C         2.6106718965       11.2749847179        3.5445152818
  C         1.6822619101       12.2919608007        3.2909786272
  C         1.3031609883       13.1966427842        4.2708763481
  C         1.8608248569       13.0363750172        5.5389900593
  C         2.7768845149       11.9998591062        5.8039703165
  C         1.1064206024       12.3875999828        1.9201430588
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  F         1.8820856947       13.1613438047        1.0974136144
  F        -0.1653490850       12.9035000228        1.9133898377
  C         6.8244803201        6.4065821480        2.2151198170
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  F         7.4932642878        5.8843196450        3.2998054041
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  F         0.9551544392       13.3788159444        7.7084936109
  F         2.7336931378       14.5648147978        7.1223540596
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  H         5.1022771294        7.3369526428        4.0139037384
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  H         5.4175477807       12.3475980285        5.9846646771
  H         2.8627487216       10.5944863286        2.7385236738
  H         0.5636086998       13.9621999845        4.0386669366
  H         3.1957321870       11.9290626358        6.8086811612
  F         9.9756827181        8.3841618245       18.4781915115
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  F        11.2185055574        9.0215235737       20.1781247443
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  C        11.3961769379       11.0444329521       18.2001486992
  C        11.8710810321       12.0228636192       17.3260486846
  C        12.7533095449       11.6963254013       16.2861594015
  C        13.2462976369       10.3975567531       16.0949393708
  C        12.7662806660        9.4263332015       16.9945266016
  B        14.1552137388        9.9817934491       14.7951615599
  C        15.1697047937       11.1765029590       14.3386803372
  C        15.7904934704       12.0199641172       15.2728363342
  C        16.7040947909       13.0002437375       14.8632808871
  C        17.0836372647       13.1232691174       13.5237386553
  C        16.5076004099       12.2655811886       12.5795738762
  C        15.5570569568       11.3216840004       12.9912584779
  C        16.8431798357       12.3889782497       11.1046168087
  F        17.8516717742       13.2702628756       10.8498843351
  F        15.7627018147       12.8175469026       10.3463574917
  F        17.2322771502       11.1916641214       10.5540336994
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  F        18.1459521029       14.8398589452       15.3975413832
  F        17.8423585816       13.2580990080       16.9333354480
  C        13.0756078573        9.6225584149       13.5854139045
  C        12.4817015181       10.6574035651       12.8265557666
  C        11.5030980171       10.4170410588       11.8473917687
  C        11.0295353605        9.1201554579       11.6220203479
  C        11.6101275370        8.0796143124       12.3531046117
  C        12.6194893457        8.3192057878       13.2909392090
  C        11.0254010683        6.7033678956       12.2206211054
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  F        11.9220925847        5.6948064756       12.4596513671
  F        10.0085755688        6.5009216056       13.1264132892
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  F         9.7417638957       11.1792796139       10.4111610755
  F        10.6292743514       12.6579785082       11.7339001480
  F        11.7532895600       11.8907114435        9.9839943903
  C        15.1830899720        8.7503330101       15.0833088920
  C        15.8472332176        8.5809624353       16.3107174590
  C        16.7804413878        7.5552933900       16.4798180517
  C        17.0868282119        6.6812538788       15.4382279987
  C        16.4755573653        6.8500971697       14.2076273382
  C        15.5451894372        7.8894857440       14.0328823174
  C        17.4602483820        7.2423651302       17.7731228855
  F        17.6137215677        8.3190231597       18.6127224480
  F        16.7935619172        6.2629708558       18.4735765360
  F        18.7101004694        6.7299660577       17.5279642534
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  F        10.4795919314       13.7363251503       16.4292594275
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  F        17.6287286015        4.8826329735       13.4789221727
  F        17.3746174527        6.5330701318       12.0187250439
  F        15.6560344040        5.2748198840       12.6042923696
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  H        10.6770289024       11.2853923944       18.9828189306
  H        13.0084566427       12.4835689329       15.5787889407
  H        13.0968940928        8.3993985059       16.8914884817
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  H        17.7990106622       13.8847025446       13.2329572939
  H        15.0952828254       10.6818470009       12.2402855234
  H        12.7825494398       11.6831531161       13.0417189577
  H        10.1920511511        8.9267612853       10.9562263235
  H        13.0193641116        7.4478687531       13.8118406580
  H        15.6570272688        9.2764752920       17.1231594058
  H        17.7963429457        5.8820702360       15.6202464623
  H        15.0822930051        8.0378056593       13.0590773408
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  F         3.3567407043       17.0940572346       18.6357925521
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  C         4.6644611406       20.0102918187       15.9748630210
  C         4.2641199236       21.3311167536       16.2195197353
  C         3.4421761495       21.6643571554       17.2999473892
  C         2.9475796050       20.7082950741       18.1778149488
  C         2.9215684414       23.0511262275       17.4386269747
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  F         3.9107906264       23.9794549292       17.3117616960
  F         1.9897982090       23.2908054088       16.4400889766
  B         5.6045683327       19.6279128994       14.6744861814
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  C         7.2893760172       18.3079750989       16.2350821335
  C         8.2447102731       17.3206363987       16.4846831766
  C         8.6136840968       16.4168898753       15.4947927893
  C         8.0196860783       16.5342665745       14.2369185464
  C         7.0893552381       17.5553772632       13.9700436040
  C         8.4061924394       15.5887203194       13.1407992545
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  F         9.2099506769       14.5653031181       13.5676622684
  F         9.1093194167       16.2370196378       12.1613203533
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  F        10.0142281360       16.5642164793       17.8934520626
  F         7.9678980593       16.3910424933       18.6879344935
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  C         7.2115282035       21.6605014524       15.2387193232
  C         8.1650232587       22.6243166431       14.8940034894
  C         8.5878022915       22.7807461085       13.5695598801
  C         8.0182180728       21.9606578293       12.5928558367
  C         7.0773397939       20.9878697959       12.9486687596
  C         8.3849509356       22.1104265943       11.1422803476
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  F         9.3680940621       23.0315946370       10.9290243627
  F         7.3219967368       22.5095526762       10.3514782655
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  F         9.5865873418       24.4621785354       15.4127996766
  F         7.6904325426       24.3528197923       16.5017759692
  F         9.2764122039       22.8841442780       16.9552381117
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  C         4.0544931912       17.9576142911       13.2595005297
  C         3.0804494769       17.6963970567       12.2841112596
  C         2.5667170584       18.7015952473       11.4773655498
  C         3.0031698359       20.0146400725       11.6926677657
  C         3.9852719152       20.2728455872       12.6614480918
  C         2.3897196974       21.1266235293       10.8818768468
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  F         1.0823039428       21.3961435271       11.2283922968
  F         3.0356799268       22.3205048934       11.0033957122
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  F         1.9293390159       16.0511129461       10.9509475241
  F         3.4335621494       15.3547658534       12.3989500216
  F         1.5196063529       16.1210421963       13.1266868649
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  H         4.5731902093       22.1072830678       15.5231428232
  H         2.3013543022       21.0399946667       18.9857041149
  H         7.0222880553       18.9710453773       17.0528974021
  H         9.3450432971       15.6496996291       15.7296729640
  H         6.6746272594       17.7002540208       12.9674115841
  H         6.8563632892       21.5954831957       16.2660946290
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  H         4.4175565822       17.1140462354       13.8472465901
  H         1.8672266351       18.3965388062       10.7024148962
  H         4.3350054896       21.2950495136       12.7834168280
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  F        17.0419791594        1.9018082880        1.3078708414
  F        15.0471854115        2.8266442661        1.1584615493
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  C        14.3121320268        0.9172551084        2.9975586499
  C        13.7961652134       -0.0551373896        3.8814321662
  C        14.2160871937       -1.3763085255        3.6580913490
  C        15.0305277794       -1.7233567206        2.5675080440
  C        15.4724863203       -0.7594100007        1.6621245349
  C        15.5028839069       -3.1357908856        2.3797855414
  F        16.1039139423       -3.3713544421        1.1713110516
  F        14.4932285603       -4.0510059080        2.4868603799
  F        16.4210909116       -3.4489020681        3.3619856741
  B        12.8235124270        0.2607513523        5.1737281862
  C        11.7395592258        1.4536351007        4.8869307923
  C        11.1568448196        1.5498455620        3.6082848855
  C        10.1898794983        2.5197148804        3.3037986025
  C         9.7526800720        3.4149601386        4.2914897654
  C        10.3160359323        3.3313152993        5.5726679611
  C        11.2850606038        2.3594667681        5.8589615064
  C         9.9653529443        4.3047945989        6.6704220984
  F        11.0879066571        4.8740689071        7.2465086529
  F         9.1891691909        5.3406976168        6.2316340822
  F         9.2989927481        3.6827526654        7.6976283854
  C         9.6420932637        2.7241405383        1.9063346571
  F         9.4925948060        1.5393665929        1.2409007932
  F         8.4043735978        3.3401656941        1.9052747624
  F        10.4441399462        3.5227926521        1.1070749664
  C        11.8219614283       -0.9935773972        5.5507750960
  C        11.2831730489       -1.8729880267        4.5919918640
  C        10.3066479656       -2.8186011509        4.9193896956
  C         9.8385415698       -2.9741430029        6.2258544439
  C        10.3513529039       -2.1029696374        7.1948586556
  C        11.3073878665       -1.1379649379        6.8536677922
  C         9.9702398421       -2.1946754456        8.6473861766
  F         9.5868622799       -0.9748850501        9.1608022550
  F         8.9532058033       -3.0616530917        8.8702244806
  F        11.0166401193       -2.6044299196        9.4480194836
  C         9.7520146956       -3.6998534437        3.8432049349
  F         8.8142192555       -4.5643592480        4.3191206810
  F        10.7150841037       -4.4518003045        3.2193961453
  F         9.1353863602       -2.9646684202        2.8513445950
  C        13.8861285487        0.5947661544        6.3656784001
  C        14.3797174466        1.8955127441        6.5857687126
  C        15.3340619921        2.1912515185        7.5718582823
  C        15.8346766221        1.1662342416        8.3763393532
  C        15.4017275861       -0.1383380859        8.1232170263
  C        14.4622472914       -0.4331817339        7.1394144349
  C        16.0214398261       -1.2305175100        8.9252148104
  F        16.0420629510       -0.8745354781       10.2596758399
  F        17.3258578188       -1.4878937445        8.5702224105
  F        15.3705644841       -2.4174058162        8.7968065364
  C        15.9081243875        3.5810505256        7.6565674126
  F        16.4782433092        3.8645781566        8.8641806701
  F        14.9691354230        4.5411433313        7.4028781788
  F        16.8803326791        3.7870203935        6.6810135522
  H        14.0521880958        1.9670654623        3.1301520704
  H        13.8163050145       -2.1334170619        4.3336594208
  H        16.0676110663       -1.0566551324        0.8011164629
  H        11.5337747441        0.8594768323        2.8560311561
  H         9.0157956502        4.1587525517        4.0009947306
  H        11.7377847818        2.3466248579        6.8511302650
  H        11.6354450971       -1.8543468624        3.5621231390
  H         9.1614493745       -3.7950102031        6.4463740600
  H        11.6782865319       -0.5080036365        7.6604444052
  H        14.0112331100        2.7021191077        5.9516632881
  H        16.5789115042        1.3584311777        9.1421233633
  H        14.1860648586       -1.4764792669        6.9766986052
  H        10.7552684615       11.7698910650        4.8621904857
  H        12.2314447555       10.6204624375        3.4401741491
     646
 i =       17, E =         0.0332168875
 Rh         3.6291076386        0.2526803845        4.8274997516
  P         5.3770132126        0.6420700894        6.2821460664
  C         5.2777509133       -0.2974548331        7.8749829529
  C         4.8067490822       -1.7451150197        7.6229028118
  C         4.4933589577       -2.4409440329        8.9542297353
  C         5.6816618835       -2.3096196369        9.9198647540
  C         6.1731715381       -0.8724930772       10.1421441658
  C         6.5002845075       -0.1860318284        8.8125327040
  C         5.6580857620        2.4014534587        6.7887951286
  C         4.6730614508        2.8212531093        7.9072322081
  C         4.6896325729        4.3337466265        8.1741731162
  C         4.5592269778        5.1419466085        6.8851347909
  C         5.7025506729        4.8040993054        5.9343128987
  C         5.5836973123        3.3246971287        5.5451886335
  C         6.9879911973        0.1046687955        5.4859727568
  C         6.9360315421        0.2337640143        3.9598957136
  P         5.3053842845       -0.2503575047        3.2728789413
  C         5.5109097604       -2.0365552846        2.7622289433
  C         4.3644119361       -2.4537568161        1.8186913475
  C         4.3759966199       -3.9546071270        1.5053505973
  C         4.2593108836       -4.7661803474        2.8060661019
  C         5.4319932536       -4.4230756276        3.7396339462
  C         5.4881247875       -2.9029382619        4.0396925467
  C         5.1698374720        0.7107761147        1.7061977040
  C         4.8547541180        2.2165526325        1.9488460075
  C         4.3897557908        2.8412081794        0.6207207596
  C         5.4678211199        2.6541722891       -0.4531980240
  C         5.8979385208        1.1971864566       -0.6531709111
  C         6.3213448151        0.5467859207        0.6757169572
  C         1.9104109687        0.2735131307        3.4721725570
  C         1.9029177904       -0.9629365942        4.1243302180
  C         1.0596975086       -0.7836265326        5.3942542925
  C         1.9155720519        0.1822695006        6.2472099905
  C         1.8931367290        1.4199241637        5.6024828946
  C         1.0455599814        1.2240969665        4.3275486103
  C        -0.0078410896        0.2389240034        4.9068907309
  H         4.4517457330        0.1828840104        8.4249174842
  H         5.5668655655       -2.3535180696        7.1107126762
  H         3.9426631299       -1.7208214097        6.9345949009
  H         4.3122351099       -3.5054216776        8.7456171066
  H         3.5859468233       -2.0434322687        9.4345028822
  H         5.4282921529       -2.7488167568       10.8904788196
  H         6.5214153659       -2.8983948039        9.5223408010
  H         7.0838204166       -0.8982836417       10.7611155182
  H         5.4423590603       -0.2563068711       10.6918698386
  H         6.7775524414        0.8609655509        9.0191847229
  H         7.3841233397       -0.6862813211        8.3993097489
  H         6.6816820566        2.4010431634        7.2026123129
  H         4.9241073182        2.2765986881        8.8317464240
  H         3.6486241501        2.5424670374        7.6209052483
  H         5.6281861787        4.6070195299        8.6777048285
  H         3.8646516618        4.6209327914        8.8408277704
  H         4.5545155327        6.2115271443        7.1220155600
  H         3.5874347116        4.9367932764        6.4035557976
  H         6.6593896059        5.0095548183        6.4398865315
  H         5.6778618445        5.4480769994        5.0445493933
  H         6.3556970571        3.0466239811        4.8135767496
  H         4.6142251661        3.1859357274        5.0303662396
  H         7.8227420035        0.7162744333        5.8460620698
  H         7.1610689463       -0.9286441025        5.8198504673
  H         7.7290039281       -0.3248889471        3.4408811746
  H         7.0537317667        1.2944531203        3.6869707317
  H         6.4964946323       -2.1399704000        2.2815449694
  H         4.3475629566       -1.8619776600        0.8933498329
  H         3.4334579654       -2.2322364582        2.3603994999
  H         5.2916830220       -4.1986622234        0.9446479800
  H         3.5535821999       -4.2174128792        0.8258566113
  H         4.1836222540       -5.8344066773        2.5534950431
  H         3.3106545064       -4.5289261848        3.3085773546
  H         5.3942037264       -4.9548335380        4.7036202936
  H         6.3391611032       -4.7516853651        3.2152132658
  H         6.3533348831       -2.6504828850        4.6685402360
  H         4.6080709895       -2.5751977014        4.6233529085
  H         4.2810207122        0.2110970675        1.2910245092
  H         5.7545676856        2.7293642349        2.3303036436
  H         4.0917058379        2.3637929185        2.7307656095
  H         4.2111903180        3.9257182961        0.6918780240
  H         3.4279649358        2.3724713933        0.3583922775
  H         6.3096865348        3.2714583937       -0.0997739597
  H         5.1267632361        3.0605788605       -1.4128159136
  H         6.6813376652        1.1126952986       -1.4265894313
  H         5.0446508664        0.6219851437       -1.0425470633
  H         7.2224681212        1.0481560889        1.0537732941
  H         6.5614437086       -0.5098238153        0.4910324587
  H         2.2427487870        0.4800286886        2.4599071456
  H         2.1778795565       -1.9276599997        3.7065308962
  H         0.7387212181       -1.6998956397        5.8963208090
  H         2.1314162392        0.0648751364        7.3002194718
  H         2.0682822071        2.3779293295        6.0948073047
  H         0.7067449476        2.1345765425        3.8255109384
  H        -0.5217090065        0.6919682049        5.7638345453
  H        -0.7170439179       -0.1404754885        4.1680187400
 Rh        14.7450548403       19.6459052127       14.9330180806
  P        12.9623988535       19.2172506324       13.4776874300
  C        13.1242829942       20.2140279801       11.9364737113
  C        13.5169110601       21.6744419245       12.2334756702
  C        13.8262072304       22.3740195548       10.9084936956
  C        12.6706389096       22.2732091746        9.9096582146
  C        12.2571556485       20.8183385822        9.6548957141
  C        11.9371569236       20.0839769045       10.9665304202
  C        12.6847407085       17.4726128201       12.8790315122
  C        13.7166143609       17.0474131036       11.8214759554
  C        13.6164294410       15.5431382117       11.5329707291
  C        13.7679401670       14.6941521725       12.7973417837
  C        12.6515629278       15.0454007523       13.7782825721
  C        12.7142764648       16.5445135014       14.1100049787
  C        11.3431054759       19.7169351999       14.2916696129
  C        11.4792458729       19.6803813487       15.8248490039
  P        13.1246154104       20.1605571099       16.5120964536
  C        12.9143165095       21.9375918627       17.0083401728
  C        13.9995989499       22.3720456823       18.0149567405
  C        14.0435106632       23.8992092511       18.2197745582
  C        14.0790691522       24.6788103409       16.9038448310
  C        12.8867933497       24.2815639559       16.0391104997
  C        12.9785256145       22.7827711230       15.7274380932
  C        13.3083595340       19.1918495213       18.0935164712
  C        13.5834656543       17.7025677709       17.7882591653
  C        14.0132504144       16.9697520831       19.0661038693
  C        12.9704209735       17.1276149989       20.1707732759
  C        12.5905960389       18.5948946646       20.4199103762
  C        12.1777869877       19.3518556789       19.1335935455
  C        16.4584018463       19.6449156610       16.3131140150
  C        16.4783498144       20.8476556309       15.6051357110
  C        17.3481781110       20.6028809284       14.3564969387
  C        16.4799979658       19.6129980230       13.5291026904
  C        16.4760425797       18.4201841219       14.2540614611
  C        17.3286434012       18.6604520371       15.5157404695
  C        18.4053713319       19.6192287248       14.9211889032
  H        14.0267586876       19.7901074964       11.4537453099
  H        12.7413260261       22.2387069703       12.7744490266
  H        14.4226234954       21.6355148610       12.8673166466
  H        14.1109634131       23.4219103415       11.0801894373
  H        14.6899206282       21.8480061303       10.4780659407
  H        12.9740918667       22.7073788910        8.9468660504
  H        11.8075133582       22.8518603850       10.2696867855
  H        11.4047354689       20.8170695785        8.9580205282
  H        13.0784548935       20.2888442174        9.1411908724
  H        11.6881686314       19.0300829550       10.7770215899
  H        11.0525184805       20.5331105665       11.4345952283
  H        11.6767567858       17.4128870045       12.4348631499
  H        13.5950425050       17.5990222919       10.8753404834
  H        14.7293133827       17.2577858577       12.1954011391
  H        12.6462654390       15.3188427885       11.0621832852
  H        14.4056025248       15.2858551494       10.8193363430
  H        13.7945441300       13.6266973701       12.5323886349
  H        14.7405891822       14.8819180462       13.2787195995
  H        11.6721657454       14.7797045948       13.3488635317
  H        12.7770992499       14.4978217201       14.7225474368
  H        11.8715083933       16.8216440195       14.7543422168
  H        13.6374505037       16.7339215368       14.6855162024
  H        10.5289872704       19.0227733535       14.0194501264
  H        11.0550672023       20.7151487831       13.9146736329
  H        10.7024090527       20.2825585848       16.3115435490
  H        11.3670544222       18.6395820281       16.1625063834
  H        11.8966251797       22.0711271459       17.4170375547
  H        13.8396412559       21.8897661099       18.9864987138
  H        14.9592336791       21.9720509354       17.6553171500
  H        13.1450709443       24.2077027490       18.7761270034
  H        14.8810079802       24.1946851054       18.8624942812
  H        14.1036124213       25.7549228623       17.1250443429
  H        14.9817869206       24.4444676604       16.3215039072
  H        12.8862852632       24.8127101000       15.0781646665
  H        11.9528020267       24.5062905938       16.5758178382
  H        12.1741622990       22.4754064485       15.0450524833
  H        13.9369968202       22.5742580779       15.2159333412
  H        14.2095642937       19.6331034710       18.5600678891
  H        12.6613865519       17.2537679203       17.3906996293
  H        14.3497203360       17.6116981707       17.0023267003
  H        14.2199837144       15.9008133356       18.9004755912
  H        14.9637354686       17.4067930773       19.4107037825
  H        12.0414734992       16.5833454014       19.9439698388
  H        13.3817693647       16.6702109000       21.0828990302
  H        11.7829019632       18.5650043374       21.1660017550
  H        13.4477018764       19.1463368193       20.8338069645
  H        11.2168184245       18.9669573488       18.7674496823
  H        12.0519422148       20.4250578420       19.3387054740
  H        16.0677439606       19.4671222899       17.3068945763
  H        16.1905751421       21.8295160605       15.9713312025
  H        17.7271565823       21.4897759658       13.8460220776
  H        16.2382429611       19.7275574313       12.4731926463
  H        16.2282326905       17.4215544623       13.9024261022
  H        17.6135332685       17.7510943271       16.0462988396
  H        18.9811763046       19.1483868365       14.1163813325
  H        19.0912916688       20.0949566492       15.6313355823
 Rh         5.9686487571       10.0524555149       15.0106908101
  P         4.1809443712        9.6095743247       13.6154649234
  C         3.7151625449        7.8688400514       13.1036942296
  C         3.7344055736        6.9523452251       14.3319232385
  C         3.7226982853        5.4658573206       13.9418938774
  C         4.8736287658        5.0972428652       13.0047482968
  C         4.7531326917        5.9069293184       11.7127476483
  C         4.7231886929        7.4149259567       12.0345147279
  C         2.6035695306       10.2229589335       14.3833830786
  C         2.6266944890       10.1104610721       15.9114354805
  P         4.3330720237       10.5912681590       16.5201654533
  C         4.1563777571       12.3736641771       17.0336175232
  C         4.0502656297       13.2648912950       15.7668024381
  C         4.1082064147       14.7692311133       16.0838552072
  C         5.3684225975       15.0550598806       16.9288309612
  C         5.3536941293       14.2667264115       18.2520469804
  C         5.2952167971       12.7516814706       18.0110912072
  C         4.5864072311        9.6649771123       18.0868654722
  C         4.8656961734        8.1768880101       17.8344916712
  C         5.1425400229        7.4313090485       19.1368423432
  C         3.9592337389        7.5790742832       20.1017105609
  C         3.4075286539        9.8359729013       19.0469588559
  C         3.6895479192        9.0744708943       20.3532124430
  C         4.3997380881       10.5827130138       12.0483761274
  C         4.7725867798       12.0592070464       12.3150718078
  C         5.0459124514       12.7801929743       10.9770642661
  C         3.8911907366       12.6518416690        9.9722379104
  C         3.4515890544       11.1974707034        9.7834314818
  C         3.1807469901       10.4718675165       11.1164727758
  C         7.8225273051       11.2133580174       15.6235502207
  C         7.5998553215        8.7132229764       14.3333879339
  C         8.5064825578        8.9367363568       15.5613198623
  C         9.6204730777        9.8245265810       14.9318550997
  C         8.6149275639       10.8474113628       14.3504762172
  C         7.7332295992       10.0195262163       16.3567337030
  C         7.6596721121        9.9029975139       13.6003378014
  H         2.6768889178        7.9056664867       12.7244138874
  H         4.6481357942        7.1612764384       14.9056110014
  H         2.8772155749        7.1873234105       14.9782661065
  H         2.7886183027        5.2002189979       13.4266901572
  H         3.7734213021        4.8780420896       14.8626779802
  H         5.8456633484        5.3258553779       13.4659713315
  H         4.8657014302        4.0091246589       12.8321929803
  H         5.5864799517        5.6829209560       11.0312820890
  H         3.8424958089        5.6296641229       11.1665420735
  H         4.5118032280        7.9829803875       11.1277209719
  H         5.7200106566        7.7231445357       12.3857579526
  H         2.4829529532       11.2721125274       14.0872072739
  H         1.7722507438        9.6543202943       13.9525836669
  H         1.8536925427       10.7500267957       16.3615770323
  H         2.3819843773        9.0903074967       16.2393397256
  H         3.1824590458       12.4521138638       17.5469413746
  H         4.8510239510       13.0229699815       15.0539933193
  H         3.0929186916       13.0169667837       15.2812565640
  H         4.0288634460       15.3522209278       15.1442029500
  H         3.2034686897       15.0387687613       16.6448081083
  H         5.5123895040       16.1190324440       17.1557965078
  H         6.2861148260       14.7647584938       16.3901453863
  H         6.2588339614       14.5214199722       18.8194301659
  H         4.5184940500       14.5721667380       18.8996756888
  H         6.2636554524       12.4061146577       17.6196554533
  H         5.1758086686       12.2080080211       18.9634422690
  H         5.4648535853       10.1242301500       18.5683389540
  H         5.6881432617        8.0175223096       17.1255490991
  H         3.9518193107        7.7561127990       17.4039962667
  H         6.0348992448        7.8692977353       19.6146854645
  H         5.3781341653        6.3820355726       18.9020675592
  H         4.1948718635        7.0588716519       21.0379764060
  H         3.0344908049        7.1049056442       19.7373410193
  H         3.2200830432       10.9119259248       19.1930353917
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  H        14.6451470179        7.1973003442        7.2799553093
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  H        11.5483698432        7.2556186538        5.2001121926
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  F         7.3290145540       10.8319146138       -0.2875198721
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  C         7.0471853596        8.8554543426        1.6807158839
  C         6.4746879207        7.8522242991        2.4570023772
  C         5.5428250635        8.1674442368        3.4578527494
  C         5.1503403375        9.4954500375        3.7415981284
  C         5.7079564149       10.4903988492        2.9031890214
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  C         2.5606550319        7.8605454984        4.6466028456
  C         1.6662153009        6.8692026455        5.0743201732
  C         1.3278872398        6.7369000433        6.4303457435
  C         1.9309508335        7.6317672389        7.3318373917
  C         2.8795317681        8.5670842499        6.8921694647
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  F         2.6872092584        7.1629387335        9.5420965586
  F         1.1756451579        8.7388142537        9.3191525792
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  F         0.2465337821        5.0623467412        4.3345347794
  F         0.7031275647        6.7214199212        2.9325238022
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  C         5.8461082125       11.4941521965        6.5096561505
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  F         6.3464706129       14.0801934354        7.4858143272
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  F         7.4239067352        7.0995161450        7.7807407971
  F         6.2870519714        7.7368550242        9.5339999136
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  C         1.6820994637       12.2917757070        3.2911476055
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  C         1.8589329833       13.0359274379        5.5395718985
  C         2.7727031673       11.9982892532        5.8056344409
  C         1.1059994130       12.3878154387        1.9205824859
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  F         1.8813443578       13.1614916542        1.0976815949
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  F         7.4928612714        5.8842365883        3.2999148423
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  H         3.1895257812       11.9264262152        6.8112622771
  F         9.9757744364        8.3841709691       18.4781406149
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  F        11.2187144119        9.0215017524       20.1784331202
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  C        11.3937439378       11.0451200953       18.2010501977
  C        11.8697627334       12.0232317072       17.3270301125
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  C        13.2460075230       10.3984389221       16.0965298580
  C        12.7673291133        9.4281726479       16.9976158870
  B        14.1547776377        9.9818410653       14.7968676387
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  C        15.7923864925       12.0175481153       15.2755421128
  C        16.7043701175       12.9986806101       14.8647573690
  C        17.0829636604       13.1220161142       13.5249299598
  C        16.5064143112       12.2650043354       12.5802688728
  C        15.5552900128       11.3220316680       12.9931500571
  C        16.8410738046       12.3890986532       11.1045655086
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  F        15.7583503939       12.8172540604       10.3469077742
  F        17.2315043870       11.1922979337       10.5535178262
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  F        18.1457489639       14.8398928803       15.3970184846
  F        17.8425959443       13.2583237274       16.9333315542
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  C        12.4822651439       10.6564667700       12.8274351842
  C        11.5031393829       10.4172128596       11.8480128961
  C        11.0275894904        9.1208776211       11.6239124926
  C        11.6103214815        8.0794702154       12.3519323901
  C        12.6224088279        8.3175832251       13.2876122977
  C        11.0252362884        6.7033371286       12.2200525681
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  F        11.9220078239        5.6948733784       12.4592823755
  F        10.0085931071        6.5010624162       13.1261672615
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  F        10.6290719507       12.6582204253       11.7338575413
  F        11.7529630995       11.8908426342        9.9840474709
  C        15.1832614596        8.7517532411       15.0851318800
  C        15.8491216649        8.5837841158       16.3118582086
  C        16.7811953308        7.5579825078       16.4801790179
  C        17.0870406348        6.6830766689       15.4389834449
  C        16.4754201792        6.8515962959       14.2077391321
  C        15.5451061146        7.8908882820       14.0343854998
  C        17.4610052212        7.2437302541       17.7729085575
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  F        16.7939982799        6.2639509167       18.4728425197
  F        18.7106817267        6.7307814061       17.5274748068
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  F        10.4795004295       13.7364888093       16.4291453265
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  F        17.6286027884        4.8832213998       13.4785299627
  F        17.3744598700        6.5334105402       12.0183100018
  F        15.6560182351        5.2752632511       12.6040053345
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  H        10.6728252090       11.2856858493       18.9822267258
  H        13.0036308462       12.4839916229       15.5783327460
  H        13.1000258121        8.4017485509       16.8966660904
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  H        15.0910373497       10.6828732440       12.2430741144
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  H        10.1859546149        8.9289434570       10.9626630734
  H        13.0242920308        7.4441594502       13.8038002331
  H        15.6609818761        9.2813744855       17.1231361554
  H        17.7962242974        5.8843913621       15.6218993045
  H        15.0811372237        8.0408222885       13.0611269039
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  F         3.3567815952       17.0946443948       18.6361355786
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  C         4.1170162699       19.0447903122       16.8508702683
  C         4.6647323220       20.0108931800       15.9753507678
  C         4.2643206428       21.3318915660       16.2185224608
  C         3.4442127544       21.6659951965       17.3001291845
  C         2.9505505553       20.7115325161       18.1799977238
  C         2.9223096860       23.0521103774       17.4387337599
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  F         3.9106806720       23.9813691638       17.3122834599
  F         1.9898145534       23.2907689995       16.4406446249
  B         5.6051980223       19.6283021189       14.6748257175
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  C         7.2928571870       18.3110342756       16.2345861196
  C         8.2467857106       17.3227032701       16.4840073355
  C         8.6143203458       16.4182088412       15.4940882319
  C         8.0207351331       16.5363484961       14.2359403402
  C         7.0922738938       17.5590598678       13.9690063710
  C         8.4061638373       15.5893345502       13.1405386887
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  F         9.2096558258       14.5655908653       13.5676445321
  F         9.1091248074       16.2371285536       12.1608208802
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  F        10.0145539154       16.5642465164       17.8934506362
  F         7.9683389756       16.3915281703       18.6872495616
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  C         7.2121344448       21.6592594249       15.2403005392
  C         8.1667814512       22.6220130669       14.8959524079
  C         8.5909645483       22.7778161877       13.5717378293
  C         8.0202142620       21.9592853898       12.5941128147
  C         7.0788351327       20.9871810278       12.9499834476
  C         8.3850951982       22.1102082316       11.1429506379
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  F         9.3677055409       23.0317199861       10.9291339333
  F         7.3216000864       22.5094328834       10.3524645664
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  F         9.5863242540       24.4620753646       15.4130843960
  F         7.6903296285       24.3525225828       16.5018713142
  F         9.2766817072       22.8844937301       16.9567309344
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  C         4.0564295290       17.9558391362       13.2600678031
  C         3.0827256005       17.6945616478       12.2846344025
  C         2.5693542179       18.6991427891       11.4764394267
  C         3.0045010351       20.0128609777       11.6917982400
  C         3.9870675332       20.2707401613       12.6601084301
  C         2.3898984624       21.1257066695       10.8820593274
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  F         1.0823438758       21.3957086675       11.2290364632
  F         3.0352670091       22.3201314181       11.0038970453
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  F         1.9291295399       16.0509344269       10.9519051331
  F         3.4330342195       15.3511855807       12.3994282643
  F         1.5196770027       16.1209965369       13.1271533555
  H         4.3550949367       17.9932691354       16.7172577434
  H         4.5715034218       22.1066078027       15.5198024149
  H         2.3064077902       21.0471971096       18.9880536426
  H         7.0272745325       18.9748633978       17.0523426898
  H         9.3445873547       15.6504275774       15.7297425477
  H         6.6783985979       17.7075798634       12.9663607497
  H         6.8541498239       21.5952433222       16.2667884698
  H         9.3024619115       23.5621762554       13.3319218514
  H         6.6554496025       20.3484611665       12.1778361707
  H         4.4195857326       17.1119180322       13.8475494919
  H         1.8727186330       18.3906239897       10.7003254229
  H         4.3384232282       21.2925014256       12.7806986220
  F        15.6762739868        1.2818393652       -0.3030511237
  C        15.7105929614        1.6410216598        1.0256824242
  F        17.0410666787        1.9021065018        1.3072247903
  F        15.0464302609        2.8268966304        1.1578399595
  C        15.1305653382        0.5757662933        1.9112992127
  C        14.3136259789        0.9191817377        2.9990235697
  C        13.7976411007       -0.0526411173        3.8837683390
  C        14.2174991696       -1.3739492908        3.6615392187
  C        15.0292863352       -1.7227465851        2.5692667078
  C        15.4685441982       -0.7598772833        1.6614025131
  C        15.5019485375       -3.1352213492        2.3801554067
  F        16.1028646789       -3.3705039802        1.1711460925
  F        14.4925870788       -4.0507791256        2.4864375620
  F        16.4206237191       -3.4486292955        3.3615742653
  B        12.8234639134        0.2597735773        5.1763236677
  C        11.7373530067        1.4510219914        4.8910014833
  C        11.1558287075        1.5449834455        3.6116022022
  C        10.1892766215        2.5150795313        3.3045779462
  C         9.7508762973        3.4105726102        4.2915106074
  C        10.3133157486        3.3293161195        5.5731929250
  C        11.2824666101        2.3580691798        5.8616318137
  C         9.9640151578        4.3044474416        6.6700519086
  F        11.0869697582        4.8739399814        7.2456793340
  F         9.1885598946        5.3407771918        6.2313677709
  F         9.2983962361        3.6829175811        7.6977612326
  C         9.6419787715        2.7226282988        1.9066382937
  F         9.4919012662        1.5390943267        1.2403600288
  F         8.4041668718        3.3400422084        1.9053732924
  F        10.4434167565        3.5225057816        1.1075148198
  C        11.8230118437       -0.9964274176        5.5512890642
  C        11.2859843796       -1.8767256562        4.5923513563
  C        10.3070829076       -2.8200472722        4.9187641249
  C         9.8370699914       -2.9759147207        6.2243632210
  C        10.3492661480       -2.1047986800        7.1938704108
  C        11.3057549293       -1.1401914086        6.8531993628
  C         9.9692829514       -2.1953232797        8.6468222031
  F         9.5867311224       -0.9749994116        9.1603894518
  F         8.9522699912       -3.0618577875        8.8702122792
  F        11.0163105941       -2.6043415378        9.4472807070
  C         9.7518290147       -3.7002899314        3.8425753701
  F         8.8137255964       -4.5643596810        4.3186553614
  F        10.7147105107       -4.4518447301        3.2187824007
  F         9.1349436681       -2.9645258274        2.8511565173
  C        13.8854719096        0.5931871620        6.3682220382
  C        14.3789776076        1.8941572777        6.5877978529
  C        15.3328661103        2.1909741159        7.5743161361
  C        15.8319164001        1.1661690905        8.3800403537
  C        15.4008093172       -0.1385555856        8.1252045457
  C        14.4626343738       -0.4347630316        7.1406847577
  C        16.0213484566       -1.2306422801        8.9256235643
  F        16.0421148157       -0.8744776169       10.2597381669
  F        17.3256374900       -1.4876468524        8.5696466637
  F        15.3705342236       -2.4174037562        8.7964337733
  C        15.9073830039        3.5810512867        7.6570466836
  F        16.4780808327        3.8649418490        8.8640584971
  F        14.9685170940        4.5412155260        7.4025690621
  F        16.8794663617        3.7870526231        6.6808241067
  H        14.0552378885        1.9696422693        3.1304356643
  H        13.8169983564       -2.1284952322        4.3394908331
  H        16.0586772504       -1.0596127714        0.7976614846
  H        11.5361376339        0.8528772332        2.8625911257
  H         9.0139624208        4.1530310314        3.9973394374
  H        11.7357938847        2.3484719255        6.8536354088
  H        11.6420045801       -1.8618440057        3.5637237746
  H         9.1612048373       -3.7985614469        6.4423416946
  H        11.6754217793       -0.5111042471        7.6611053599
  H        14.0112448397        2.6998301498        5.9520205014
  H        16.5745520590        1.3576090847        9.1477820581
  H        14.1894896123       -1.4786891492        6.9765317624
  H        10.7515556737       11.7739875250        4.8549407460
  H        12.2203006639       10.6136269793        3.4437491980
     646
 i =       18, E =         0.0344240547
 Rh         3.6273089027        0.2527821208        4.8272325408
  P         5.3754589106        0.6409536684        6.2813019869
  C         5.2801711346       -0.2963973644        7.8757246145
  C         4.8051877388       -1.7429406133        7.6247643489
  C         4.4926056893       -2.4382378110        8.9564780573
  C         5.6809440140       -2.3034511682        9.9217642155
  C         6.1742047521       -0.8668099931       10.1433806999
  C         6.5033420396       -0.1832739280        8.8128836528
  C         5.6571166184        2.3999954034        6.7873967738
  C         4.6732594176        2.8190279911        7.9075679061
  C         4.6853720296        4.3319825886        8.1728952012
  C         4.5573332286        5.1390296698        6.8828698269
  C         5.7053505173        4.8028809875        5.9369824898
  C         5.5831002834        3.3244741594        5.5445653460
  C         6.9863453349        0.1029457516        5.4843998929
  C         6.9336851919        0.2322925963        3.9587121505
  P         5.3040893975       -0.2504802744        3.2711223172
  C         5.5094988463       -2.0367207063        2.7592743732
  C         4.3620287597       -2.4541150436        1.8170536902
  C         4.3769182433       -3.9541173866        1.4996987443
  C         4.2562773696       -4.7667137776        2.7996032657
  C         5.4261083712       -4.4234495246        3.7370112208
  C         5.4831250522       -2.9029087191        4.0367499658
  C         5.1749516553        0.7123403811        1.7051546286
  C         4.8600625191        2.2188083793        1.9475017889
  C         4.3905942467        2.8402216393        0.6191977983
  C         5.4667749938        2.6514401593       -0.4563054907
  C         5.9006689722        1.1954501544       -0.6543879074
  C         6.3279525700        0.5489983779        0.6752873100
  C         1.9099337475        0.2739760174        3.4712054674
  C         1.9030016420       -0.9639723605        4.1205124621
  C         1.0591203710       -0.7885058471        5.3901202321
  C         1.9131227194        0.1772016769        6.2456463104
  C         1.8886962923        1.4165959440        5.6041281555
  C         1.0427900959        1.2216047186        4.3274874032
  C        -0.0095357323        0.2347663711        4.9063344185
  H         4.4558588932        0.1843571748        8.4277305377
  H         5.5613755793       -2.3549912221        7.1111457607
  H         3.9403187064       -1.7147126836        6.9375581476
  H         4.3162477546       -3.5035446198        8.7475075915
  H         3.5834141595       -2.0449229665        9.4367986100
  H         5.4288347202       -2.7421220913       10.8928413814
  H         6.5209771530       -2.8912980293        9.5234625423
  H         7.0851656198       -0.8949427073       10.7619901456
  H         5.4458188864       -0.2473876046       10.6928452041
  H         6.7804877940        0.8640797070        9.0184946107
  H         7.3881817167       -0.6845897427        8.4031062474
  H         6.6810346903        2.3970231121        7.2002607419
  H         4.9285889824        2.2761469022        8.8320014177
  H         3.6490289380        2.5366632628        7.6242839227
  H         5.6215125627        4.6080835430        8.6792124329
  H         3.8572482969        4.6187072122        8.8357940634
  H         4.5485770446        6.2085564761        7.1192306747
  H         3.5879853459        4.9304374462        6.3976155449
  H         6.6595561114        5.0041800206        6.4493025185
  H         5.6877158885        5.4502904606        5.0495054489
  H         6.3526056990        3.0449311189        4.8109827100
  H         4.6121264401        3.1898857009        5.0314120239
  H         7.8212069371        0.7155183066        5.8422200259
  H         7.1596879197       -0.9299230489        5.8193609719
  H         7.7262889597       -0.3246432194        3.4372670600
  H         7.0492693137        1.2935892181        3.6871316341
  H         6.4958293525       -2.1409395396        2.2802002982
  H         4.3375149419       -1.8585067595        0.8943766430
  H         3.4334101175       -2.2390010141        2.3655459759
  H         5.2944056390       -4.1957302390        0.9407314972
  H         3.5570234887       -4.2175907127        0.8172967971
  H         4.1802424857       -5.8347532706        2.5460925526
  H         3.3057105144       -4.5293841620        3.2985951155
  H         5.3862425147       -4.9544456449        4.7013448495
  H         6.3338960529       -4.7532411217        3.2146178531
  H         6.3464036174       -2.6505201543        4.6681553530
  H         4.6018550353       -2.5727530319        4.6174220996
  H         4.2873715621        0.2125112958        1.2877565225
  H         5.7611660960        2.7322786825        2.3254116829
  H         4.0997832572        2.3680409320        2.7317098372
  H         4.2133715039        3.9253077069        0.6858739807
  H         3.4276648665        2.3706502393        0.3625221829
  H         6.3067411460        3.2716949073       -0.1034728216
  H         5.1242549740        3.0553183981       -1.4163111293
  H         6.6817855283        1.1117996113       -1.4304110033
  H         5.0480786061        0.6166909193       -1.0400715846
  H         7.2277122871        1.0541331267        1.0517153511
  H         6.5715383022       -0.5070938222        0.4920090775
  H         2.2471502607        0.4840686562        2.4612250446
  H         2.1797702683       -1.9273726593        3.7008846158
  H         0.7394683383       -1.7064105255        5.8901411386
  H         2.1244190240        0.0604990697        7.2996089024
  H         2.0553080655        2.3732948914        6.1026037908
  H         0.7028518326        2.1319464981        3.8258661428
  H        -0.5192233414        0.6864619064        5.7666901943
  H        -0.7222091575       -0.1417261468        4.1693829150
 Rh        14.7445271247       19.6467219943       14.9316569428
  P        12.9590507193       19.2169183391       13.4775113913
  C        13.1204139300       20.2142174989       11.9373283332
  C        13.5148075975       21.6740183640       12.2350326011
  C        13.8245868900       22.3715889839       10.9093181893
  C        12.6701373634       22.2703069636        9.9092709801
  C        12.2575765097       20.8153124756        9.6539923056
  C        11.9348024457       20.0823146046       10.9656247772
  C        12.6811492988       17.4731443869       12.8761607289
  C        13.7126364622       17.0477912226       11.8184370863
  C        13.6126384811       15.5429624185       11.5330101627
  C        13.7686029253       14.6963853489       12.7985198597
  C        12.6517026016       15.0458536167       13.7794794738
  C        12.7112603036       16.5458156218       14.1074964200
  C        11.3399225001       19.7152408920       14.2941961905
  C        11.4810908673       19.6843891562       15.8272044812
  P        13.1263083513       20.1631545166       16.5139909117
  C        12.9163471062       21.9405006489       17.0083760171
  C        13.9988108305       22.3773673322       18.0171898224
  C        14.0437214407       23.9056444988       18.2164781598
  C        14.0784344953       24.6824115623       16.8986976505
  C        12.8872722148       24.2807429688       16.0344903841
  C        12.9867384218       22.7819760561       15.7254465985
  C        13.3067064032       19.1936393701       18.0959077615
  C        13.5812673132       17.7044578675       17.7890959288
  C        14.0139025728       16.9710919529       19.0655739311
  C        12.9736205818       17.1283035951       20.1723961543
  C        12.5904324461       18.5947351544       20.4215374579
  C        12.1756684992       19.3528493171       19.1360193875
  C        16.4554320698       19.6459334842       16.3135413297
  C        16.4773066423       20.8481628689       15.6049591752
  C        17.3492216035       20.6020798624       14.3580008925
  C        16.4817995680       19.6111361891       13.5301726108
  C        16.4769602992       18.4192096288       14.2566731207
  C        17.3275455162       18.6609562881       15.5194266684
  C        18.4054664589       19.6183789778       14.9240131752
  H        14.0242713979       19.7917465208       11.4554240190
  H        12.7426851522       22.2408145748       12.7784294211
  H        14.4223061867       21.6311290145       12.8665373972
  H        14.1112417337       23.4192089743       11.0791240971
  H        14.6870484217       21.8421465954       10.4803666110
  H        12.9754820353       22.7033116747        8.9466255470
  H        11.8061116108       22.8488050153       10.2672275918
  H        11.4077288495       20.8143929156        8.9539669817
  H        13.0805454880       20.2856370732        9.1429819137
  H        11.6868552483       19.0278906713       10.7772905818
  H        11.0491182920       20.5314052534       11.4316037882
  H        11.6728893750       17.4131972700       12.4324029191
  H        13.5908376337       17.5974587439       10.8710606552
  H        14.7254703562       17.2587648977       12.1917764532
  H        12.6409791893       15.3170891323       11.0658441092
  H        14.3999946631       15.2852041680       10.8176744812
  H        13.8001923704       13.6285593358       12.5352579260
  H        14.7406306976       14.8892747702       13.2793643197
  H        11.6726160362       14.7757942955       13.3519367394
  H        12.7805865424       14.5017757809       14.7254220085
  H        11.8676138546       16.8236956179       14.7503831469
  H        13.6341029260       16.7372327350       14.6830445080
  H        10.5277726637       19.0153029124       14.0298317075
  H        11.0447114975       20.7098989314       13.9126647976
  H        10.7058129236       20.2875862808       16.3151656504
  H        11.3709807490       18.6440883563       16.1672440870
  H        11.8964890830       22.0766805210       17.4113512465
  H        13.8353017607       21.8994378450       18.9903667847
  H        14.9582211253       21.9731812071       17.6614910627
  H        13.1451248435       24.2158691948       18.7716710260
  H        14.8804956934       24.2043567839       18.8586940169
  H        14.1016876927       25.7589242577       17.1179925376
  H        14.9807077427       24.4483069562       16.3156497656
  H        12.8843665276       24.8103045602       15.0727544782
  H        11.9522793331       24.5016105930       16.5712880544
  H        12.1891020385       22.4693272817       15.0374386574
  H        13.9504051447       22.5759318867       15.2220796927
  H        14.2066863675       19.6344771370       18.5653960922
  H        12.6577298720       17.2567979139       17.3934352636
  H        14.3454868480       17.6138792031       17.0009884875
  H        14.2216644453       15.9020955507       18.9007766767
  H        14.9645309248       17.4093906512       19.4084927311
  H        12.0448917948       16.5818340618       19.9500367152
  H        13.3895480228       16.6728054172       21.0835040109
  H        11.7837093072       18.5601175986       21.1685216651
  H        13.4462218630       19.1488546480       20.8346249419
  H        11.2135287126       18.9699624500       18.7707277017
  H        12.0518657125       20.4261708165       19.3419958626
  H        16.0572872418       19.4670585455       17.3041401367
  H        16.1880215895       21.8301491249       15.9696102432
  H        17.7303157716       21.4881584710       13.8476439495
  H        16.2429011783       19.7233444555       12.4732023800
  H        16.2314845681       17.4195986676       13.9059830783
  H        17.6101884241       17.7520157382       16.0519106092
  H        18.9794867142       19.1459955468       14.1186442181
  H        19.0935025866       20.0950303240       15.6314482899
 Rh         5.9703595740       10.0526578998       15.0102682988
  P         4.1818901048        9.6065955911       13.6177062804
  C         3.7088853746        7.8673632769       13.1040917966
  C         3.7263632411        6.9492547744       14.3307997451
  C         3.7184044280        5.4631894631       13.9383261399
  C         4.8728166618        5.0967939283       13.0044057161
  C         4.7525741285        5.9055766558       11.7116920071
  C         4.7164813549        7.4135634309       12.0344868837
  C         2.6051223123       10.2214527437       14.3848975648
  C         2.6276598590       10.1098290547       15.9127431023
  P         4.3353719277       10.5919315389       16.5182529011
  C         4.1570153266       12.3741015120       17.0322955673
  C         4.0462816430       13.2659644460       15.7660730807
  C         4.1050202052       14.7701554890       16.0840855334
  C         5.3679261981       15.0540725491       16.9263686966
  C         5.3556537610       14.2669500698       18.2505162024
  C         5.2954732429       12.7518267191       18.0106597682
  C         4.5912568429        9.6674969269       18.0849148961
  C         4.8729883646        8.1799102892       17.8336691340
  C         5.1485934175        7.4352157412       19.1365703209
  C         3.9615454039        7.5799106479       20.0975247586
  C         3.4094070798        9.8356941078       19.0413812002
  C         3.6899326518        9.0752638519       20.3483489424
  C         4.4016848867       10.5804466566       12.0510849989
  C         4.7711492830       12.0579507439       12.3179750799
  C         5.0413072946       12.7807517047       10.9799357544
  C         3.8885620694       12.6473633814        9.9733608869
  C         3.4525189894       11.1917922552        9.7860823957
  C         3.1831405664       10.4656538968       11.1190563059
  C         7.8275621450       11.2151609978       15.6212569099
  C         7.6003628593        8.7110132043       14.3349865568
  C         8.5082257327        8.9362483036       15.5618539072
  C         9.6226615325        9.8219730814       14.9298672163
  C         8.6177996664       10.8448265594       14.3476300351
  C         7.7362117702       10.0215729389       16.3556539841
  C         7.6604691902        9.9001149342       13.6006250956
  H         2.6701080662        7.9084464311       12.7269207425
  H         4.6381181113        7.1587232093       14.9067476606
  H         2.8671185583        7.1818562872       14.9750139145
  H         2.7872033778        5.1963571310       13.4186403158
  H         3.7666589919        4.8744386940       14.8584614736
  H         5.8435600683        5.3288427576       13.4665751594
  H         4.8679470903        4.0082724146       12.8341162003
  H         5.5892997254        5.6851258880       11.0332029978
  H         3.8453987649        5.6246006132       11.1617648199
  H         4.5039044796        7.9815097782       11.1281876255
  H         5.7116694992        7.7246316588       12.3870746282
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  F        11.2189173771        9.0214986621       20.1787482662
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  C        11.3914726635       11.0455981860       18.2018075236
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  C        13.2456788131       10.3994104025       16.0980515733
  C        12.7684831095        9.4298232684       17.0006129655
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  C        15.7943144933       12.0151911994       15.2783074685
  C        16.7047660745       12.9971905038       14.8660344834
  C        17.0822221366       13.1207091026       13.5260600708
  C        16.5051370814       12.2644924496       12.5810303456
  C        15.5535584326       11.3224297004       12.9948997515
  C        16.8389135813       12.3891955037       11.1045402388
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  F        15.7552622891       12.8171694547       10.3470767259
  F        17.2306715627       11.1929505455       10.5529920080
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  F        18.1455459405       14.8399394787       15.3964900739
  F        17.8428305643       13.2585533444       16.9333299715
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  C        12.4825776839       10.6556172049       12.8281340295
  C        11.5032112870       10.4174194489       11.8487879489
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  C        12.6251199590        8.3158236756       13.2841744057
  C        11.0250680362        6.7033656411       12.2194393007
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  F        11.9219185625        5.6949342386       12.4589289992
  F        10.0085893258        6.5011869748       13.1259448287
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  F        10.6288533957       12.6584978331       11.7338315005
  F        11.7526234356       11.8909769753        9.9841241685
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  C        15.8506159878        8.5869818219       16.3128021687
  C        16.7824015026        7.5600421890       16.4804554309
  C        17.0868194576        6.6851951425       15.4392979454
  C        16.4758138273        6.8527149706       14.2085011746
  C        15.5447673336        7.8925598273       14.0358014353
  C        17.4617938393        7.2451112204       17.7728086212
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  F        16.7944412053        6.2649091889       18.4720592050
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  F        17.3743187673        6.5337408782       12.0179101491
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  H        17.7961573118        5.8865877693       15.6235192173
  H        15.0800492801        8.0437834543       13.0631494026
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  F         3.3568551866       17.0951960880       18.6364849923
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  C         4.6650660134       20.0115859668       15.9757490978
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  C         2.9230699080       23.0531012144       17.4388595179
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  F         3.9104672779       23.9837050850       17.3128421401
  F         1.9898628998       23.2907539716       16.4412160811
  B         5.6058069267       19.6286776974       14.6751139275
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  C         7.2962015422       18.3141835278       16.2341336010
  C         8.2490384382       17.3244274477       16.4832491500
  C         8.6148163015       16.4196764241       15.4934465020
  C         8.0219863505       16.5382860131       14.2351174770
  C         7.0951141110       17.5628235605       13.9679698851
  C         8.4061249774       15.5899625503       13.1402112373
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  F         9.2093614252       14.5658960628       13.5676402365
  F         9.1089286713       16.2372399824       12.1603125864
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  F        10.0148775286       16.5642792393       17.8934385939
  F         7.9687786998       16.3920173761       18.6865546560
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  C         7.2126953320       21.6581282506       15.2418749440
  C         8.1685310564       22.6198170987       14.8978360893
  C         8.5940545339       22.7748825554       13.5738030819
  C         8.0222202542       21.9579796235       12.5954338232
  C         7.0803312113       20.9865490875       12.9511705276
  C         8.3852133519       22.1099971782       11.1436573295
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  F         9.3673255373       23.0318389163       10.9292425897
  F         7.3212130669       22.5093008390       10.3535356373
  C         8.6776261055       23.5771574863       15.9332021067
  F         9.5860728816       24.4619722815       15.4133791468
  F         7.6902231018       24.3522297238       16.5019669150
  F         9.2769599668       22.8849091612       16.9584200946
  C         4.5545281387       19.2556033583       13.4652680066
  C         4.0584400359       17.9540824123       13.2607190399
  C         3.0848641016       17.6927452787       12.2848862849
  C         2.5721367075       18.6966133563       11.4756739678
  C         3.0056925164       20.0109406876       11.6908078285
  C         3.9889665120       20.2686823074       12.6589036606
  C         2.3900695420       21.1248431691       10.8822151557
  F         2.3639200915       20.7823511887        9.5428665599
  F         1.0824186204       21.3952448717       11.2296941336
  F         3.0348498324       22.3197343951       11.0044011842
  C         2.4998205511       16.3170485843       12.1707145234
  F         1.9289359362       16.0507651519       10.9529539271
  F         3.4321539059       15.3463427092       12.3998420841
  F         1.5197595808       16.1209615671       13.1276261302
  H         4.3536221225       17.9944877661       16.7203536312
  H         4.5697962594       22.1059358100       15.5165352318
  H         2.3115309817       21.0541648863       18.9903972015
  H         7.0322239030       18.9787570011       17.0518264452
  H         9.3441431147       15.6510665938       15.7297609444
  H         6.6822301614       17.7147751229       12.9653027817
  H         6.8520140508       21.5950496488       16.2675074448
  H         9.3065469890       23.5589934474       13.3358742502
  H         6.6558909388       20.3485042031       12.1792779840
  H         4.4216555984       17.1098271033       13.8479216863
  H         1.8781583492       18.3849266862       10.6982342504
  H         4.3417938426       21.2899840652       12.7779934698
  F        15.6754610265        1.2820605659       -0.3036539845
  C        15.7096939236        1.6411023435        1.0249638171
  F        17.0401245734        1.9024036973        1.3065884561
  F        15.0456641288        2.8271384271        1.1572143849
  C        15.1295030167        0.5761797174        1.9112054996
  C        14.3150754533        0.9210256754        3.0004847593
  C        13.7990478599       -0.0501324258        3.8860614548
  C        14.2188831223       -1.3715852201        3.6649219765
  C        15.0279571028       -1.7222127460        2.5710886198
  C        15.4646331648       -0.7602924055        1.6605698166
  C        15.5010257142       -3.1346684543        2.3804936543
  F        16.1017749786       -3.3696066979        1.1709609412
  F        14.4919079789       -4.0505668526        2.4860371619
  F        16.4201493355       -3.4483553273        3.3611845352
  B        12.8233547356        0.2587557106        5.1788736231
  C        11.7351835350        1.4484670647        4.8951214374
  C        11.1547857289        1.5402070143        3.6148891224
  C        10.1887111871        2.5104571216        3.3053316053
  C         9.7490323362        3.4063535910        4.2915921788
  C        10.3107910848        3.3272467522        5.5738303532
  C        11.2798653379        2.3567495720        5.8642104617
  C         9.9626960314        4.3040841824        6.6696361824
  F        11.0859647644        4.8738023810        7.2448086783
  F         9.1879321037        5.3408543987        6.2311148500
  F         9.2977902327        3.6831025812        7.6978796242
  C         9.6418284159        2.7212112567        1.9069234286
  F         9.4911961411        1.5387901103        1.2398093039
  F         8.4039363839        3.3399210949        1.9054804928
  F        10.4426956278        3.5222073376        1.1079705070
  C        11.8240424585       -0.9992811571        5.5518582375
  C        11.2888799192       -1.8803938082        4.5928062657
  C        10.3075551053       -2.8215298351        4.9180890218
  C         9.8356056009       -2.9776931321        6.2229795439
  C        10.3472980236       -2.1065712958        7.1929784929
  C        11.3042249155       -1.1423985031        6.8526691473
  C         9.9683232272       -2.1959661298        8.6462933466
  F         9.5865904883       -0.9751201893        9.1599672855
  F         8.9512527934       -3.0620575726        8.8701980111
  F        11.0159667892       -2.6042651711        9.4465337158
  C         9.7516166704       -3.7007555996        3.8419332086
  F         8.8132052015       -4.5643657137        4.3181943934
  F        10.7143362138       -4.4519000135        3.2181577625
  F         9.1344979421       -2.9643731648        2.8509835170
  C        13.8847323802        0.5916979981        6.3706730364
  C        14.3783373091        1.8928517549        6.5899116665
  C        15.3315757844        2.1907572813        7.5765622268
  C        15.8293051752        1.1661064964        8.3838198853
  C        15.3998153633       -0.1388040447        8.1270754474
  C        14.4631492392       -0.4362889084        7.1421010296
  C        16.0212673950       -1.2306637292        8.9260477336
  F        16.0421587946       -0.8744383437       10.2598015384
  F        17.3254145510       -1.4874221225        8.5690847411
  F        15.3704803614       -2.4174332133        8.7960623363
  C        15.9066476230        3.5809826188        7.6575302277
  F        16.4779018752        3.8653118310        8.8639052939
  F        14.9678745628        4.5412613826        7.4022650746
  F        16.8785611850        3.7870917821        6.6806334840
  H        14.0582962387        1.9721485682        3.1308203865
  H        13.8178840400       -2.1237209710        4.3453063760
  H        16.0497633039       -1.0624722611        0.7942208442
  H        11.5383225458        0.8463184240        2.8690278493
  H         9.0121355435        4.1473573880        3.9939099292
  H        11.7337271493        2.3502610086        6.8560504244
  H        11.6485465252       -1.8693085021        3.5653465987
  H         9.1608506564       -3.8019980635        6.4384616639
  H        11.6725824365       -0.5141285916        7.6617140818
  H        14.0112312098        2.6975567539        5.9524349928
  H        16.5700889544        1.3568475734        9.1533879154
  H        14.1928569640       -1.4808510923        6.9763949791
  H        10.7477541267       11.7780451499        4.8477410200
  H        12.2085522049       10.6063919540        3.4472955257
     646
 i =       19, E =         0.0341948415
 Rh         3.6254978607        0.2528363533        4.8269931720
  P         5.3739411826        0.6398364772        6.2804680799
  C         5.2825390400       -0.2953175714        7.8764496279
  C         4.8036503563       -1.7407390366        7.6266467109
  C         4.4918971385       -2.4355249753        8.9587563894
  C         5.6802439702       -2.2972854642        9.9237401273
  C         6.1752516724       -0.8611058263       10.1446255141
  C         6.5063775333       -0.1805067038        8.8131782118
  C         5.6561439122        2.3985644513        6.7859937372
  C         4.6734960971        2.8168426870        7.9078735974
  C         4.6810420642        4.3301977918        8.1715713506
  C         4.5554835128        5.1361171324        6.8806149392
  C         5.7081403491        4.8016336867        5.9396987834
  C         5.5825515858        3.3242684548        5.5439847485
  C         6.9847431403        0.1012271446        5.4828525907
  C         6.9313840178        0.2308640098        3.9575463635
  P         5.3027960783       -0.2505800061        3.2693708887
  C         5.5080452330       -2.0368582267        2.7563206830
  C         4.3595878359       -2.4544206509        1.8153898878
  C         4.3778252802       -3.9535856106        1.4939760108
  C         4.2531923600       -4.7672401555        2.7930825184
  C         5.4202027014       -4.4238193337        3.7343599733
  C         5.4780882583       -2.9028715142        4.0338101856
  C         5.1800399648        0.7139137385        1.7040934674
  C         4.8654339691        2.2210661310        1.9460834571
  C         4.3914829516        2.8392658915        0.6176661025
  C         5.4657286742        2.6487257610       -0.4594385665
  C         5.9033767727        1.1936996393       -0.6556250412
  C         6.3345814553        0.5512177006        0.6748823076
  C         1.9094185915        0.2744379387        3.4702979426
  C         1.9030528727       -0.9649639790        4.1167072029
  C         1.0585589413       -0.7933723968        5.3859461438
  C         1.9106702474        0.1720563925        6.2440504261
  C         1.8842936904        1.4131959051        5.6057485392
  C         1.0399732220        1.2191106051        4.3274659679
  C        -0.0112336683        0.2305780485        4.9057606152
  H         4.4599389168        0.1859106510        8.4304505914
  H         5.5558935298       -2.3563102333        7.1115754555
  H         3.9379583792       -1.7086339722        6.9406594597
  H         4.3202319659       -3.5016153752        8.7495181929
  H         3.5809047997       -2.0463348468        9.4390484771
  H         5.4293713308       -2.7354134475       10.8952567704
  H         6.5205252910       -2.8841929500        9.5246796461
  H         7.0864837523       -0.8915162510       10.7628846741
  H         5.4492446624       -0.2384917951       10.6937799853
  H         6.7834193720        0.8671989292        9.0176820100
  H         7.3921476115       -0.6828492701        8.4067864821
  H         6.6803985211        2.3931377883        7.1978939567
  H         4.9330518636        2.2757511190        8.8322368277
  H         3.6494332508        2.5307924717        7.6276453766
  H         5.6147507068        4.6091852787        8.6807483556
  H         3.8497708035        4.6163832872        8.8307999903
  H         4.5425815404        6.2056551336        7.1164176524
  H         3.5885545496        4.9240905196        6.3916090471
  H         6.6596962125        4.9987429582        6.4587299904
  H         5.6976360480        5.4524648513        5.0545104341
  H         6.3495288371        3.0432687337        4.8084103152
  H         4.6100496375        3.1937982657        5.0324671579
  H         7.8196607234        0.7147192671        5.8385162793
  H         7.1583103948       -0.9311498719        5.8188093596
  H         7.7235841010       -0.3243681644        3.4337473549
  H         7.0448558944        1.2927116635        3.6872736186
  H         6.4950069473       -2.1418728195        2.2788110837
  H         4.3274491731       -1.8550380426        0.8954487883
  H         3.4333076042       -2.2457544370        2.3705209180
  H         5.2971094333       -4.1927675658        0.9368948678
  H         3.5604700374       -4.2176522124        0.8086948683
  H         4.1769323907       -5.8350640947        2.5386877932
  H         3.3007484816       -4.5298269010        3.2884998648
  H         5.3781133793       -4.9540669567        4.6989648827
  H         6.3286274850       -4.7547440044        3.2140959290
  H         6.3393927502       -2.6506533240        4.6677262905
  H         4.5955889441       -2.5704266104        4.6114698374
  H         4.2936846814        0.2140816754        1.2843407814
  H         5.7677956107        2.7351846187        2.3204076156
  H         4.1078947973        2.3722523390        2.7326585718
  H         4.2154824562        3.9248657646        0.6800036317
  H         3.4274175363        2.3688436743        0.3665583988
  H         6.3038708801        3.2718747228       -0.1074090167
  H         5.1216961687        3.0500533441       -1.4198351025
  H         6.6822568857        1.1109042154       -1.4341169774
  H         5.0515403673        0.6113832352       -1.0376066260
  H         7.2328883268        1.0601393328        1.0496530921
  H         6.5816735314       -0.5042952940        0.4930848880
  H         2.2514203077        0.4881647025        2.4624660128
  H         2.1816397792       -1.9269978529        3.6952334366
  H         0.7402130747       -1.7128981469        5.8838706268
  H         2.1174395056        0.0559612645        7.2989777755
  H         2.0424099074        2.3686375690        6.1103243343
  H         0.6988907578        2.1293904228        3.8262680140
  H        -0.5168754244        0.6808938388        5.7694911707
  H        -0.7273248193       -0.1430337026        4.1707315532
 Rh        14.7439853033       19.6475550762       14.9302925165
  P        12.9556453301       19.2165808346       13.4773649591
  C        13.1165164362       20.2143939978       11.9382218909
  C        13.5127092536       21.6735675084       12.2365648868
  C        13.8229636091       22.3691416234       10.9101298121
  C        12.6696704724       22.2673759024        9.9088801591
  C        12.2580136587       20.8122849107        9.6531277743
  C        11.9324435383       20.0806804941       10.9647471596
  C        12.6775111464       17.4736559881       12.8733161857
  C        13.7086474116       17.0481513912       11.8154046806
  C        13.6088456273       15.5427713287       11.5330308975
  C        13.7692907838       14.6986564059       12.7997211601
  C        12.6518456313       15.0462954743       13.7807461043
  C        12.7081961529       16.5471159430       14.1050680512
  C        11.3367107965       19.7134764353       14.2967699401
  C        11.4828302245       19.6883722891       15.8296011006
  P        13.1279252688       20.1657518744       16.5158801355
  C        12.9184222308       21.9434387290       17.0083899461
  C        13.9980109621       22.3827754981       18.0194340387
  C        14.0439043451       23.9121279694       18.2131435782
  C        14.0778002613       24.6860586537       16.8935194528
  C        12.8877879696       24.2799240329       16.0297872032
  C        12.9950041487       22.7811966928       15.7234252686
  C        13.3050478715       19.1954565479       18.0983082170
  C        13.5790395469       17.7063370677       17.7899156209
  C        14.0146032055       16.9724530728       19.0650741821
  C        12.9768242446       17.1289771622       20.1740949379
  C        12.5902622676       18.5945973743       20.4232317302
  C        12.1735494055       19.3538622503       19.1384863541
  C        16.4524895412       19.6469035104       16.3140055517
  C        16.4762771016       20.8486542991       15.6047706464
  C        17.3502876592       20.6012446855       14.3595334809
  C        16.4835980493       19.6092411610       13.5312856142
  C        16.4778616101       18.4181516912       14.2593244662
  C        17.3263995755       18.6614511816       15.5231273727
  C        18.4055291329       19.6174903705       14.9268747818
  H        14.0217104969       19.7932542614       11.4571211957
  H        12.7440182427       22.2428397402       12.7823503894
  H        14.4219451964       21.6268324654       12.8658126886
  H        14.1115544014       23.4165094039       11.0780423461
  H        14.6842679205       21.8363344350       10.4826356074
  H        12.9768964245       22.6993264386        8.9463460628
  H        11.8047384780       22.8457447263       10.2647541363
  H        11.4107062254       20.8116043622        8.9499674808
  H        13.0826564459       20.2823986315        9.1447979710
  H        11.6855558223       19.0257345846       10.7775576638
  H        11.0456955601       20.5297047805       11.4285752732
  H        11.6690092723       17.4135542031       12.4299318355
  H        13.5865531624       17.5959132846       10.8668284587
  H        14.7216123928       17.2597795320       12.1881178183
  H        12.6357101649       15.3153085602       11.0695229758
  H        14.3943329179       15.2845007037       10.8159440316
  H        13.8058224465       13.6304617859       12.5382061294
  H        14.7406826155       14.8967019404       13.2799660177
  H        11.6731333574       14.7718750130       13.3550665570
  H        12.7840690260       14.5057468345       14.7282645605
  H        11.8636892020       16.8256947761       14.7464901272
  H        13.6306806348       16.7406138612       14.6805940562
  H        10.5266649510       19.0078571458       14.0401785847
  H        11.0344033803       20.7045106115       13.9107837933
  H        10.7091517695       20.2926142774       16.3187971025
  H        11.3747748324       18.6486176587       16.1720863719
  H        11.8964562331       22.0822277253       17.4056981941
  H        13.8308964865       21.9092122113       18.9942160277
  H        14.9572777651       21.9744635491       17.6677903916
  H        13.1451754196       24.2240977986       18.7671738836
  H        14.8800058775       24.2140062281       18.8548183389
  H        14.0997169150       25.7629409506       17.1108357584
  H        14.9797204798       24.4522209306       16.3098443084
  H        12.8824376360       24.8079464945       15.0672923308
  H        11.9518019386       24.4968825085       16.5666292904
  H        12.2042131430       22.4632265111       15.0298083965
  H        13.9638202861       22.5776480952       15.2282508991
  H        14.2038726635       19.6358419744       18.5706595531
  H        12.6540827801       17.2598092404       17.3962193404
  H        14.3412047934       17.6160736625       16.9996571628
  H        14.2233121420       15.9034749356       18.9009771408
  H        14.9653493968       17.4119919899       19.4062417816
  H        12.0484550816       16.5802853184       19.9560969623
  H        13.3972873369       16.6754905617       21.0841320185
  H        11.7845210782       18.5554307759       21.1709987464
  H        13.4447220796       19.1513230054       20.8355630921
  H        11.2103226448       18.9729541702       18.7740068102
  H        12.0517391560       20.4272566117       19.3453734417
  H        16.0469908432       19.4670683516       17.3014173238
  H        16.1854741657       21.8308204590       15.9678824803
  H        17.7334240414       21.4865347407       13.8492499048
  H        16.2475866655       19.7191324236       12.4732197690
  H        16.2346872187       17.4177035875       13.9095547373
  H        17.6068872810       17.7529885324       16.0575543073
  H        18.9778055915       19.1435678550       14.1210228541
  H        19.0956218212       20.0950175334       15.6316870980
 Rh         5.9721317276       10.0529094887       15.0098299528
  P         4.1826588265        9.6035971569       13.6199035353
  C         3.7027208764        7.8658860534       13.1045258686
  C         3.7182433858        6.9460761253       14.3295768258
  C         3.7140845030        5.4605296549       13.9347210087
  C         4.8719342549        5.0963862352       13.0040663437
  C         4.7520087003        5.9042793756       11.7107097848
  C         4.7097230301        7.4121364849       12.0344650038
  C         2.6067144482       10.2199444491       14.3864534784
  C         2.6287210699       10.1092765479       15.9139765876
  P         4.3375785373       10.5926807028       16.5164060738
  C         4.1576548754       12.3745416261       17.0309547479
  C         4.0422432844       13.2670558952       15.7654135862
  C         4.1017951722       14.7710918757       16.0843764435
  C         5.3674801161       15.0531227662       16.9238686091
  C         5.3576635131       14.2672092525       18.2489694397
  C         5.2957597339       12.7519669620       18.0101701766
  C         4.5961199076        9.6700187475       18.0829371988
  C         4.8803411973        8.1829556092       17.8328901672
  C         5.1546898085        7.4391916794       19.1363077030
  C         3.9639195863        7.5807930760       20.0933177302
  C         3.4112871903        9.8354121546       19.0358120581
  C         3.6902819962        9.0760528551       20.3434912128
  C         4.4035496838       10.5782118410       12.0538369980
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 Rh        12.5802535360        9.7273200471        4.6582696012
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  C         5.7075662236       10.4929220388        2.9018251749
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  F        11.2191229634        9.0214846866       20.1790892475
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  C        13.2453145164       10.4002154879       16.0995964857
  C        12.7695079841        9.4315977249       17.0036942322
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  C        15.7961869032       12.0127511090       15.2808296761
  C        16.7050955370       12.9956244351       14.8674591383
  C        17.0815685855       13.1195139778       13.5270737845
  C        16.5038075635       12.2640068518       12.5816122948
  C        15.5517472764       11.3227991208       12.9967159133
  C        16.8369882121       12.3893477237       11.1045667314
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  F        15.7530902084       12.8172241269       10.3469815737
  F        17.2298234301       11.1935333108       10.5524776830
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  F        18.1453487992       14.8399753010       15.3959746549
  F        17.8430753529       13.2587559223       16.9333417132
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  C        12.4830318506       10.6547236733       12.8290567850
  C        11.5030718540       10.4175784413       11.8494572519
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  C        12.6280004624        8.3142853456       13.2809399554
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  F        11.9218224241        5.6950160708       12.4585682243
  F        10.0085966320        6.5013426358       13.1257070214
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  F        10.6286347303       12.6587492432       11.7337922745
  F        11.7522713242       11.8910970663        9.9842245614
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  C        15.8526845666        8.5896211466       16.3140005918
  C        16.7830735879        7.5627784907       16.4808411996
  C        17.0871302898        6.6868733306       15.4401290005
  C        16.4755366444        6.8542284951       14.2084267903
  C        15.5447797410        7.8938406550       14.0372796805
  C        17.4625593704        7.2462865944       17.7724897028
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  F        16.7948694392        6.2658518545       18.4713230505
  F        18.7118759441        6.7324914344       17.5264873610
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  F        10.4792909805       13.7368305694       16.4289017383
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  F        17.3741394084        6.5340833001       12.0175265280
  F        15.6559374572        5.2761309620       12.6034440919
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  H        12.9942591746       12.4848957216       15.5773570006
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  H        17.7960042453        5.8888075388       15.6250413594
  H        15.0790141705        8.0467013520       13.0651329042
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  F         3.3569127776       17.0958056179       18.6368486318
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  C         4.1170144818       19.0482933125       16.8544050316
  C         4.6653024113       20.0122411712       15.9762644038
  C         4.2644801009       21.3335520512       16.2166843664
  C         3.4482718104       21.6693607267       17.3003706806
  C         2.9564441714       20.7178676160       18.1843439073
  C         2.9238703644       23.0542517176       17.4389770074
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  F         3.9101419788       23.9865720189       17.3134546645
  F         1.9899138044       23.2907410568       16.4417877212
  B         5.6063919901       19.6291354527       14.6754379397
  C         6.6730508606       18.4407677999       14.9811228399
  C         7.2996364554       18.3171617950       16.2337108908
  C         8.2510288916       17.3264768695       16.4826716186
  C         8.6154889919       16.4208784281       15.4927741048
  C         8.0230663326       16.5403830294       14.2341339908
  C         7.0981078931       17.5664064230       13.9669818271
  C         8.4061308288       15.5906030112       13.1399859503
  F         7.3074630345       15.0305433584       12.5415196204
  F         9.2090645896       14.5662062501       13.5676139759
  F         9.1087267781       16.2373642259       12.1597694827
  C         8.7857654326       17.1609779931       17.8684294087
  F         8.9138155956       18.3730746353       18.4891133316
  F        10.0152139460       16.5643244024       17.8934477198
  F         7.9692355775       16.3925438333       18.6858365235
  C         6.6388518880       20.8228960117       14.2718797714
  C         7.2132021791       21.6570594308       15.2433665627
  C         8.1702302982       22.6176751598       14.8997592686
  C         8.5971805871       22.7720803808       13.5759159880
  C         8.0241866880       21.9566521730       12.5966349048
  C         7.0817546721       20.9859410234       12.9524629555
  C         8.3853705868       22.1097871563       11.1443541565
  F         8.8155195907       20.9006877392       10.6319669196
  F         9.3669511914       23.0319663089       10.9293609442
  F         7.3208048217       22.5091730047       10.3546964136
  C         8.6779850895       23.5767419445       15.9342922614
  F         9.5858326615       24.4618715798       15.4136974481
  F         7.6901266465       24.3519390286       16.5020695359
  F         9.2772399016       22.8854127837       16.9603461066
  C         4.5562575839       19.2541823275       13.4649735935
  C         4.0603566843       17.9523409307       13.2612657504
  C         3.0873459740       17.6906005482       12.2854265240
  C         2.5747801758       18.6941327451       11.4747210736
  C         3.0070749628       20.0091795455       11.6899959761
  C         3.9907010373       20.2666313645       12.6575607687
  C         2.3902659936       21.1239157737       10.8824199539
  F         2.3634400649       20.7822703523        9.5430276771
  F         1.0824754113       21.3947869438       11.2303608176
  F         3.0344409080       22.3193415488       11.0049103834
  C         2.5006937145       16.3151609424       12.1714991166
  F         1.9287480062       16.0505892463       10.9540846626
  F         3.4307934056       15.3400174130       12.4001083088
  F         1.5198945593       16.1209482142       13.1280887575
  H         4.3522091757       17.9956824342       16.7233909209
  H         4.5680719599       22.1053098583       15.5133248983
  H         2.3166745394       21.0609552679       18.9927840192
  H         7.0371613726       18.9826661242       17.0512933600
  H         9.3436476333       15.6516994535       15.7297267634
  H         6.6861200349       17.7218588717       12.9642671637
  H         6.8499559394       21.5949055731       16.2682281898
  H         9.3106771601       23.5557824054       13.3397342379
  H         6.6563623878       20.3485633859       12.1806685925
  H         4.4237382481       17.1078165500       13.8483201302
  H         1.8835632441       18.3794067256       10.6961590917
  H         4.3451281559       21.2874990173       12.7753090184
  F        15.6746379512        1.2822768061       -0.3042347673
  C        15.7087487108        1.6412232439        1.0242603125
  F        17.0391654901        1.9027036502        1.3059605294
  F        15.0448754520        2.8274148988        1.1565805086
  C        15.1285215172        0.5764360648        1.9109928924
  C        14.3164298750        0.9229271458        3.0019967931
  C        13.8003526397       -0.0477412344        3.8883855795
  C        14.2202361548       -1.3692999577        3.6682637559
  C        15.0266652371       -1.7215376839        2.5727394110
  C        15.4606059479       -0.7606926821        1.6598758811
  C        15.5000580464       -3.1340997777        2.3808333294
  F        16.1006225250       -3.3686553636        1.1707806595
  F        14.4912191139       -4.0503504755        2.4856331603
  F        16.4196719382       -3.4480823223        3.3607991331
  B        12.8232171323        0.2577837627        5.1814236096
  C        11.7330196876        1.4459085254        4.8990726374
  C        11.1537590472        1.5354820572        3.6181718615
  C        10.1881038475        2.5060012731        3.3061765551
  C         9.7473082669        3.4021052283        4.2917069558
  C        10.3081687989        3.3253240944        5.5743385157
  C        11.2773726216        2.3553971806        5.8667893514
  C         9.9613777071        4.3036987077        6.6692325793
  F        11.0849272126        4.8736884693        7.2439090935
  F         9.1872908932        5.3409291212        6.2308446276
  F         9.2971632065        3.6832952554        7.6979950655
  C         9.6416136064        2.7197980382        1.9072186743
  F         9.4904817135        1.5385241404        1.2392590679
  F         8.4037183607        3.3398101891        1.9055823078
  F        10.4419804047        3.5219256943        1.1084199502
  C        11.8251095930       -1.0021048924        5.5523980232
  C        11.2917114943       -1.8841692825        4.5932156878
  C        10.3080530379       -2.8229876974        4.9175653909
  C         9.8342339554       -2.9794142855        6.2215645266
  C        10.3453706316       -2.1083881373        7.1920363669
  C        11.3027115729       -1.1446014932        6.8522597943
  C         9.9673621131       -2.1965864808        8.6457650627
  F         9.5864361735       -0.9752367990        9.1595515044
  F         8.9501593915       -3.0622338441        8.8701761007
  F        11.0156032621       -2.6041954529        9.4457861330
  C         9.7514121245       -3.7011880378        3.8413124225
  F         8.8126695418       -4.5643642677        4.3177119760
  F        10.7139359260       -4.4519577105        3.2175183915
  F         9.1340459039       -2.9642249371        2.8508186689
  C        13.8840211742        0.5901592553        6.3731590976
  C        14.3775699592        1.8915120593        6.5918837497
  C        15.3304671263        2.1904720874        7.5789648086
  C        15.8266098982        1.1660781302        8.3874204857
  C        15.3989633820       -0.1389380857        8.1290556680
  C        14.4635028107       -0.4377563322        7.1433444462
  C        16.0211560886       -1.2307824292        8.9264497791
  F        16.0421898487       -0.8743707453       10.2598692945
  F        17.3251777401       -1.4871788475        8.5685341042
  F        15.3704409609       -2.4173989730        8.7957037194
  C        15.9058567109        3.5809670235        7.6579672043
  F        16.4777280355        3.8656695192        8.8637666147
  F        14.9672015675        4.5412963708        7.4019653313
  F        16.8776565086        3.7871339492        6.6804153894
  H        14.0613348981        1.9746598079        3.1313011436
  H        13.8189434030       -2.1190179518        4.3510707592
  H        16.0408520178       -1.0652193732        0.7908095550
  H        11.5403332879        0.8398365791        2.8753971917
  H         9.0102909200        4.1417611734        3.9906751753
  H        11.7316277510        2.3520043478        6.8584554003
  H        11.6550533477       -1.8767216842        3.5670593061
  H         9.1604434056       -3.8052700240        6.4347004399
  H        11.6697685286       -0.5170815386        7.6622566042
  H        14.0111806393        2.6953528800        5.9528668804
  H        16.5656349394        1.3561625916        9.1590407604
  H        14.1961916304       -1.4829277323        6.9762984566
  H        10.7438845346       11.7820781874        4.8405861726
  H        12.1961987069       10.5987331865        3.4508620567
     646
 i =       20, E =         0.0349377543
 Rh         3.6237108348        0.2528473998        4.8267748834
  P         5.3724150235        0.6387284292        6.2796115069
  C         5.2848912098       -0.2942132776        7.8771514155
  C         4.8021288545       -1.7385254766        7.6285781449
  C         4.4912241004       -2.4327939907        8.9610755751
  C         5.6795525083       -2.2911124912        9.9257622239
  C         6.1763080818       -0.8553871495       10.1458581539
  C         6.5093732976       -0.1777407177        8.8134608051
  C         5.6551954087        2.3971481621        6.7845862753
  C         4.6737053711        2.8146630221        7.9081487982
  C         4.6766642491        4.3284329451        8.1702488563
  C         4.5536019130        5.1332503362        6.8783413423
  C         5.7109426201        4.8003997260        5.9424299426
  C         5.5819973737        3.3240605284        5.5433879756
  C         6.9831508212        0.0995519915        5.4813177034
  C         6.9290956552        0.2294744947        3.9564008614
  P         5.3014835492       -0.2506415457        3.2676410931
  C         5.5065051916       -2.0369607392        2.7533927747
  C         4.3571029428       -2.4546972325        1.8137070564
  C         4.3787046059       -3.9530059457        1.4882457087
  C         4.2501088990       -4.7677422861        2.7865083885
  C         5.4142508910       -4.4241701278        3.7316701060
  C         5.4730076260       -2.9028543963        4.0308428132
  C         5.1850976584        0.7154945204        1.7030196923
  C         4.8708118510        2.2233286203        1.9446657664
  C         4.3923858643        2.8383163819        0.6161390078
  C         5.4646820352        2.6460193166       -0.4626049601
  C         5.9060721894        1.1919382624       -0.6568437701
  C         6.3411824827        0.5534600235        0.6744853682
  C         1.9088905328        0.2749899917        3.4693225260
  C         1.9031286073       -0.9659233886        4.1128929540
  C         1.0579661270       -0.7982205211        5.3817695253
  C         1.9082709985        0.1668984221        6.2424518228
  C         1.8799219834        1.4098153565        5.6073706974
  C         1.0371532037        1.2166519979        4.3274619037
  C        -0.0129518244        0.2264025481        4.9051864510
  H         4.4639692424        0.1875363434        8.4331025669
  H         5.5504552842       -2.3575206961        7.1119841630
  H         3.9355689528       -1.7025906751        6.9438486621
  H         4.3241915639       -3.4996609026        8.7516205168
  H         3.5784301173       -2.0476802596        9.4412595312
  H         5.4299029722       -2.7287096795       10.8977289773
  H         6.5200842056       -2.8771074168        9.5259713276
  H         7.0877873573       -0.8880222573       10.7637986393
  H         5.4526385939       -0.2296248193       10.6946808271
  H         6.7863474949        0.8703253245        9.0167716820
  H         7.3960530652       -0.6810892678        8.4103547171
  H         6.6797771302        2.3893651218        7.1955208079
  H         4.9374992794        2.2754030175        8.8324542161
  H         3.6498849401        2.5248847412        7.6309975166
  H         5.6079042186        4.6103069280        8.6822961790
  H         3.8422694866        4.6139675933        8.8258168998
  H         4.5365541530        6.2027515766        7.1135734088
  H         3.5892099492        4.9177760867        6.3855914421
  H         6.6597934389        4.9932549741        6.4681403320
  H         5.7075981914        5.4545679602        5.0595919895
  H         6.3464614895        3.0416386730        4.8058753887
  H         4.6080573152        3.1976782574        5.0335548699
  H         7.8181393524        0.7138994680        5.8349416463
  H         7.1569519851       -0.9323883311        5.8182230703
  H         7.7209260506       -0.3240893690        3.4302960566
  H         7.0404982205        1.2918330692        3.6873998730
  H         6.4941101360       -2.1427880033        2.2773650815
  H         4.3173902063       -1.8515762765        0.8965547342
  H         3.4331715468       -2.2524917142        2.3753405519
  H         5.2998232981       -4.1897910813        0.9331111128
  H         3.5639135039       -4.2176237876        0.8000578660
  H         4.1736895972       -5.8353651485        2.5312833119
  H         3.2957613524       -4.5302578497        3.2783371696
  H         5.3698616618       -4.9537121707        4.6965287963
  H         6.3233936474       -4.7562167251        3.2136188571
  H         6.3323668968       -2.6508529504        4.6672923222
  H         4.5892817099       -2.5681932566        4.6055192710
  H         4.2999771073        0.2157788318        1.2808169759
  H         5.7744285991        2.7380640501        2.3153076123
  H         4.1160821915        2.3764209986        2.7335519783
  H         4.2175410246        3.9243885655        0.6742492368
  H         3.4272531762        2.3670627809        0.3705182814
  H         6.3010803034        3.2720123423       -0.1115320855
  H         5.1191026085        3.0447832830       -1.4233764261
  H         6.6827642298        1.1100048159       -1.4377384974
  H         5.0550293043        0.6060650814       -1.0351569964
  H         7.2380161686        1.0661682588        1.0475953234
  H         6.5918428999       -0.5014707957        0.4942330690
  H         2.2555464507        0.4922732276        2.4637357001
  H         2.1835010141       -1.9266028659        3.6895643831
  H         0.7409410507       -1.7194080783        5.8775611953
  H         2.1104850343        0.0512861452        7.2983340487
  H         2.0295928984        2.3638739847        6.1179244544
  H         0.6948998577        2.1268442507        3.8267367492
  H        -0.5146384124        0.6752672622        5.7722351743
  H        -0.7324044466       -0.1444067418        4.1720442922
 Rh        14.7434323119       19.6483970491       14.9289316393
  P        12.9522194872       19.2162255606       13.4772407784
  C        13.1126234346       20.2145519978       11.9391409009
  C        13.5106350644       21.6731006206       12.2380886001
  C        13.8213876173       22.3666863189       10.9109184280
  C        12.6692345712       22.2644540729        9.9084475549
  C        12.2584719987       20.8092533580        9.6522720925
  C        11.9300912796       20.0790661763       10.9638899194
  C        12.6738514322       17.4741529002       12.8705021067
  C        13.7046409602       17.0485018204       11.8123939104
  C        13.6050627465       15.5425640250       11.5330552466
  C        13.7699942430       14.7009451313       12.8009304655
  C        12.6520192151       15.0467532775       13.7820275911
  C        12.7050940286       16.5484190204       14.1026748049
  C        11.3334919476       19.7116566208       14.2993897285
  C        11.4844846483       19.6923286041       15.8320276159
  P        13.1294867767       20.1683590124       16.5177637451
  C        12.9205153277       21.9464053494       17.0083681840
  C        13.9972095944       22.3882199632       18.0216669755
  C        14.0440661389       23.9186570369       18.2097897460
  C        14.0771695286       24.6897168254       16.8882967417
  C        12.8883423492       24.2791025450       16.0250041735
  C        13.0033145402       22.7804161361       15.7213763657
  C        13.3033950153       19.1972912422       18.1007116604
  C        13.5768001851       17.7082383446       17.7907634970
  C        14.0153008857       16.9738665060       19.0645851968
  C        12.9800579834       17.1296990153       20.1758033770
  C        12.5901047295       18.5944771385       20.4249300562
  C        12.1714765795       19.3548871682       19.1409805777
  C        16.4495551217       19.6478826924       16.3144763833
  C        16.4752513656       20.8491542533       15.6045803926
  C        17.3513339298       20.6003790227       14.3610676127
  C        16.4853893232       19.6073275393       13.5324042800
  C        16.4787359107       18.4171264081       14.2619866236
  C        17.3252524584       18.6619127565       15.5268440579
  C        18.4055715651       19.6165824859       14.9297791888
  H        14.0190740555       19.7946543993       11.4588441779
  H        12.7453299718       22.2447882304       12.7862066653
  H        14.4215261429       21.6226144083       12.8651181103
  H        14.1118863117       23.4137909571       11.0769465007
  H        14.6815346333       21.8305865186       10.4848922635
  H        12.9783178710       22.6953922781        8.9460706748
  H        11.8033999424       22.8426772952       10.2622694147
  H        11.4136757761       20.8087272250        8.9460266675
  H        13.0847673913       20.2791435732        9.1466434120
  H        11.6842685969       19.0236081995       10.7778227439
  H        11.0422526607       20.5280129654       11.4255246314
  H        11.6651223436       17.4139443407       12.4274571303
  H        13.5822078207       17.5943844936       10.8626384428
  H        14.7177482506       17.2608193260       12.1844364361
  H        12.6304545504       15.3135065757       11.0732095322
  H        14.3886370549       15.2837523061       10.8141622633
  H        13.8114327110       13.6324064567       12.5412196067
  H        14.7407421103       14.9041758921       13.2805324028
  H        11.6736862253       14.7679474156       13.3582310586
  H        12.7875497509       14.5097009817       14.7311166415
  H        11.8597276898       16.8276518797       14.7426710128
  H        13.6272178578       16.7440481942       14.6781796680
  H        10.5256335489       19.0004325902       14.0504770446
  H        11.0241450250       20.6990230159       13.9090128712
  H        10.7124234233       20.2976397638       16.3224284278
  H        11.3784468181       18.6531528680       16.1770098348
  H        11.8965297829       22.0877618603       17.4000684492
  H        13.8264411932       21.9190661887       18.9980350862
  H        14.9563760630       21.9758792155       17.6741923810
  H        13.1452227483       24.2323699232       18.7626477762
  H        14.8795291145       24.2236278112       18.8508843944
  H        14.0977047212       25.7669829808       17.1036078837
  H        14.9788000451       24.4561977359       16.3040926083
  H        12.8805060243       24.8056205000       15.0618064215
  H        11.9513692171       24.4921199118       16.5618670144
  H        12.2194649338       22.4571253063       15.0221985178
  H        13.9771876376       22.5794053830       15.2344480192
  H        14.2011054186       19.6371910795       18.5758558899
  H        12.6504247776       17.2627866174       17.3990317936
  H        14.3369001077       17.6182721520       16.9983214005
  H        14.2249410095       15.9048850920       18.9010942497
  H        14.9662106349       17.4146038134       19.4039718738
  H        12.0520803362       16.5786784704       19.9621345212
  H        13.4050090779       16.6782196660       21.0848330944
  H        11.7852942935       18.5509088477       21.1734753350
  H        13.4432243207       19.1537558793       20.8366062836
  H        11.2071641884       18.9759187430       18.7772774462
  H        12.0515685621       20.4283289260       19.3488201997
  H        16.0368361598       19.4671295054       17.2987591660
  H        16.1829454651       21.8314882580       15.9661406797
  H        17.7364851082       21.4848924138       13.8508474433
  H        16.2522965159       19.7149195198       12.4732935116
  H        16.2378317930       17.4157917225       13.9131158842
  H        17.6036327329       17.7539815602       16.0632288984
  H        18.9761457632       19.1411032204       14.1234825430
  H        19.0976665101       20.0949332607       15.6320386306
 Rh         5.9738688276       10.0532042458       15.0093835442
  P         4.1835444766        9.6006382300       13.6221778351
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 Rh        12.5841003270        9.7222381825        4.6599679915
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  C        14.8199038288       14.3152082090        6.0083607001
  C        13.5235924038       14.7192700557        6.7141529481
  C        13.2300949378       13.8202503790        7.9246436023
  C        13.1200442894       12.3641673069        7.4220971937
  C        15.9246304981        9.7011949074        5.4182298753
  C        15.8461227827        9.8869446696        3.8958733104
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  C        14.4479349979        5.2052062624        3.6042699230
  C        13.1061482949        4.8941327251        2.8958020531
  C        12.9921956223        5.7340866407        1.6061213757
  C        13.0221417675        7.2357783394        1.9172590092
  C        14.1055835185       10.3184566425        1.5848209702
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  C         5.7073486477       10.4941744021        2.9011483459
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  F         2.6875979363        7.1630962186        9.5440177169
  F         1.1751188194        8.7392195387        9.3203028598
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  F         0.2433577891        5.0615188117        4.3361341715
  F         0.6938925912        6.7205006965        2.9341989575
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  C         1.8525652792       13.0354355156        5.5407743914
  C         2.7613703720       11.9924852167        5.8102546404
  C         1.1048059386       12.3880767589        1.9215795463
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  F         1.8792596218       13.1619963384        1.0985981423
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  F         7.4913566970        5.8843498482        3.2999021126
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  H         5.0853019183        7.3382895090        3.9903033376
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  F        11.2193237370        9.0214924248       20.1794538863
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  C        11.8654805331       12.0242736606       17.3300225303
  C        12.7461655047       11.6981702553       16.2887192717
  C        13.2449078917       10.4011508760       16.1010696525
  C        12.7706724087        9.4332265404       17.0066234098
  B        14.1536015382        9.9818751775       14.8017586409
  C        15.1696256113       11.1749771622       14.3476592240
  C        15.7980970966       12.0103904941       15.2834598814
  C        16.7055076835       12.9941123695       14.8686950884
  C        17.0808376560       13.1182768130       13.5281330509
  C        16.5024452437       12.2635670830       12.5822739584
  C        15.5499552524       11.3232036478       12.9984317518
  C        16.8352173304       12.3894612362       11.1045870326
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  F        15.7514700654       12.8173592643       10.3467509099
  F        17.2290149524       11.1940612478       10.5519841274
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  F        18.1451624508       14.8400307903       15.3954544572
  F        17.8433228364       13.2589750101       16.9333531171
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  C        12.4833020209       10.6539046826       12.8298351405
  C        11.5030425520       10.4178502667       11.8502962779
  C        11.0214120923        9.1230321853       11.6297481906
  C        11.6109179617        8.0790865888       12.3489013257
  C        12.6306799140        8.3126305807       13.2775955039
  C        11.0246681589        6.7033046536       12.2183211853
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  F        11.9217248066        5.6950948034       12.4582103079
  F        10.0085757920        6.5014782185       13.1254884458
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  F         9.7415431669       11.1798026938       10.4114513792
  F        10.6284094431       12.6590223026       11.7337639247
  F        11.7519315469       11.8912267015        9.9843137756
  C        15.1842255422        8.7556896008       15.0907833737
  C        15.8542064154        8.5927651117       16.3149407413
  C        16.7842785423        7.5647908085       16.4811300019
  C        17.0869236376        6.6889131963       15.4404245720
  C        16.4758733401        6.8553272356       14.2091015372
  C        15.5444825901        7.8954625637       14.0386743878
  C        17.4633358137        7.2475389515       17.7723745763
  F        17.6157745297        8.3212534274       18.6139238426
  F        16.7953105691        6.2668016646       18.4705280279
  F        18.7125082467        6.7333944715       17.5259671681
  C        11.3847726463       13.4363590886       17.4347767958
  F        10.7838102871       13.6748895763       18.6279266702
  F        10.4791953956       13.7370053198       16.4288007770
  F        12.4014716496       14.3424756534       17.3021119124
  F        17.6281745608        4.8850685352       13.4774742770
  F        17.3739942579        6.5344195219       12.0171301843
  F        15.6558875369        5.2765553837       12.6031647625
  C        16.7857764066        5.8986958496       13.0830223012
  H        10.6604371826       11.2865715625       18.9803688279
  H        12.9896753859       12.4853143171       15.5768946913
  H        13.1095825243        8.4086398824       16.9123114499
  H        15.5986313074       11.8751923764       16.3480359414
  H        17.7973644824       13.8793438952       13.2403739177
  H        15.0784121085       10.6861164317       12.2512282248
  H        12.7844504912       11.6779834338       13.0533417350
  H        10.1682894265        8.9354547070       10.9819991963
  H        13.0392116968        7.4335488331       13.7799971692
  H        15.6728358913        9.2956216240       17.1231773521
  H        17.7959556764        5.8908616204       15.6265682588
  H        15.0780358496        8.0495715504       13.0671058032
  F         2.7270330343       18.6290903319       20.1086825858
  C         2.6897566159       18.2878814613       18.7799375403
  F         1.3635997346       18.0126203767       18.4912795369
  F         3.3569770415       17.0964106511       18.6372258908
  C         3.2747489669       19.3833582095       17.9279995787
  C         4.1169961374       19.0499710009       16.8562377638
  C         4.6656041387       20.0128804560       15.9766860606
  C         4.2644806466       21.3344021274       16.2158373543
  C         3.4503671350       21.6711367705       17.3004111920
  C         2.9593480786       20.7209325322       18.1865377196
  C         2.9246932264       23.0555280521       17.4391316670
  F         2.3002793431       23.2896382467       18.6319571199
  F         3.9096852138       23.9901267986       17.3140975950
  F         1.9899789778       23.2907453390       16.4423541530
  B         5.6069920395       19.6295313408       14.6757266338
  C         6.6756726989       18.4432620021       14.9810221873
  C         7.3028857760       18.3202742049       16.2332708970
  C         8.2531900359       17.3282032511       16.4819672743
  C         8.6159880525       16.4222832538       15.4921536062
  C         8.0243261205       16.5423451321       14.2333116974
  C         7.1009604372       17.5701441033       13.9660273834
  C         8.4061133182       15.5912406638       13.1396812332
  F         7.3072939359       15.0307751308       12.5417409979
  F         9.2087745531       14.5665282391       13.5676082271
  F         9.1085274655       16.2374898537       12.1592205737
  C         8.7865906185       17.1616136573       17.8680577107
  F         8.9140476705       18.3733006354       18.4893240362
  F        10.0155594299       16.5643645979       17.8934400628
  F         7.9696981374       16.3930747823       18.6851038555
  C         6.6396699438       20.8226490935       14.2727813750
  C         7.2137022920       21.6561036892       15.2448714738
  C         8.1719319198       22.6156059427       14.9016304998
  C         8.6002249499       22.7692633104       13.5779876245
  C         8.0261901533       21.9554230688       12.5979404806
  C         7.0831819076       20.9853812296       12.9536353662
  C         8.3855380879       22.1095715258       11.1450698482
  F         8.8152058623       20.9006475890       10.6319861104
  F         9.3665903145       23.0321012295       10.9294759867
  F         7.3203706991       22.5090501159       10.3559297753
  C         8.6783628155       23.5763027528       15.9354408588
  F         9.5855954996       24.4617700720       15.4140414344
  F         7.6900291903       24.3516656131       16.5021791202
  F         9.2775102443       22.8860300776       16.9625163352
  C         4.5579511773       19.2528410952       13.4646695162
  C         4.0624019152       17.9505993453       13.2619358833
  C         3.0897308231       17.6884416948       12.2856749785
  C         2.5775996314       18.6915039419       11.4739880359
  C         3.0082993054       20.0072649407       11.6890581251
  C         3.9925817922       20.2645917434       12.6563971121
  C         2.3904651649       21.1230469819       10.8826060132
  F         2.3629741051       20.7821882689        9.5432132383
  F         1.0825484239       21.3943072221       11.2310392672
  F         3.0340327659       22.3189440029       11.0054207252
  C         2.5017019892       16.3128595525       12.1723413548
  F         1.9285577257       16.0504312728       10.9552888557
  F         3.4288841678       15.3325157781       12.4001096279
  F         1.5200355733       16.1209453202       13.1285627307
  H         4.3508524225       17.9969224659       16.7263605525
  H         4.5663493579       22.1047111651       15.5101504908
  H         2.3218342527       21.0675875156       18.9951914672
  H         7.0420836610       18.9865726242       17.0507385746
  H         9.3431923612       15.6522366739       15.7296734339
  H         6.6900676682       17.7288285585       12.9632760562
  H         6.8479690794       21.5947975510       16.2689164220
  H         9.3148348494       23.5525501062       13.3435202163
  H         6.6568544097       20.3486363162       12.1820388977
  H         4.4258416297       17.1058609755       13.8487538991
  H         1.8888979155       18.3740284846       10.6940581474
  H         4.3484204340       21.2850417287       12.7726392891
  F        15.6738087610        1.2824980561       -0.3048084829
  C        15.7078101035        1.6413259489        1.0235627915
  F        17.0381766219        1.9030107285        1.3053430574
  F        15.0440711078        2.8276955747        1.1559446300
  C        15.1274330297        0.5768189079        1.9108912408
  C        14.3177990416        0.9247531032        3.0034398841
  C        13.8016000624       -0.0453511334        3.8906819430
  C        14.2216082558       -1.3670456739        3.6715086186
  C        15.0253266657       -1.7209625875        2.5744337468
  C        15.4566461949       -0.7610771545        1.6590561959
  C        15.4990887027       -3.1334694995        2.3811707286
  F        16.0994199966       -3.3676577110        1.1705963275
  F        14.4905210253       -4.0501310940        2.4852404507
  F        16.4191641450       -3.4478038334        3.3604001040
  B        12.8230489020        0.2567967808        5.1839558086
  C        11.7308863448        1.4433942746        4.9030153590
  C        11.1526653236        1.5308651738        3.6213622633
  C        10.1875342146        2.5015532747        3.3069688642
  C         9.7455279647        3.3979905874        4.2917732904
  C        10.3056986091        3.3233490320        5.5749442417
  C        11.2748623128        2.3541088770        5.8692860926
  C         9.9600188543        4.3033509515        6.6688184344
  F        11.0838639478        4.8735750218        7.2429777863
  F         9.1866395896        5.3410030333        6.2305753158
  F         9.2965277089        3.6834844143        7.6981112375
  C         9.6413971226        2.7184152452        1.9075569577
  F         9.4897613540        1.5382761730        1.2387148208
  F         8.4034853900        3.3397100209        1.9056839448
  F        10.4412611378        3.5216345194        1.1088863636
  C        11.8261737893       -1.0049234910        5.5529667209
  C        11.2945787014       -1.8878952741        4.5936960566
  C        10.3085347693       -2.8245186930        4.9169895936
  C         9.8328613290       -2.9811431723        6.2202471718
  C        10.3434984693       -2.1101849171        7.1911754470
  C        11.3012374912       -1.1468154541        6.8518113002
  C         9.9663635012       -2.1972260851        8.6452257585
  F         9.5862831781       -0.9753508917        9.1591308603
  F         8.9490050091       -3.0623758402        8.8701477415
  F        11.0152278291       -2.6041251108        9.4450298178
  C         9.7511915232       -3.7016067337        3.8407187753
  F         8.8121215355       -4.5643597889        4.3172240066
  F        10.7135373594       -4.4520139554        3.2168682429
  F         9.1336013054       -2.9640668482        2.8506669847
  C        13.8832681833        0.5887125219        6.3755811598
  C        14.3769060224        1.8902264207        6.5939394632
  C        15.3291967908        2.1902679360        7.5811111998
  C        15.8240647160        1.1660637418        8.3911140617
  C        15.3979922945       -0.1391856392        8.1308862035
  C        14.4639723427       -0.4391896112        7.1447160320
  C        16.0210485685       -1.2308393292        8.9268668989
  F        16.0422154241       -0.8743047163       10.2599512350
  F        17.3249590158       -1.4869492230        8.5679880731
  F        15.3703780142       -2.4173938882        8.7953428614
  C        15.9050936288        3.5809460272        7.6584158436
  F        16.4775434933        3.8660339102        8.8636172362
  F        14.9664987890        4.5413129947        7.4016696336
  F        16.8767153535        3.7871792332        6.6801986273
  H        14.0643531257        1.9771758097        3.1318631662
  H        13.8201223440       -2.1144448289        4.3568280635
  H        16.0319369952       -1.0678697860        0.7874693251
  H        11.5422022756        0.8334175030        2.8816871414
  H         9.0084647782        4.1362067893        3.9876087974
  H        11.7295147472        2.3536987900        6.8608525120
  H        11.6615467611       -1.8840974029        3.5687467791
  H         9.1599940299       -3.8084072524        6.4310365088
  H        11.6670032908       -0.5199367192        7.6628046534
  H        14.0111081447        2.6931738430        5.9533323724
  H        16.5611592292        1.3555330187        9.1646814987
  H        14.1994758439       -1.4849724671        6.9762209798
  H        10.7400541631       11.7861942417        4.8335085499
  H        12.1832121118       10.5907827626        3.4542555809
     646
 i =       21, E =         0.0341737381
 Rh         3.6219453527        0.2528013469        4.8265716831
  P         5.3708898846        0.6376647587        6.2787282968
  C         5.2872155743       -0.2930934763        7.8778476495
  C         4.8006371581       -1.7363017247        7.6305549154
  C         4.4906258296       -2.4300397043        8.9634296606
  C         5.6788805488       -2.2849319677        9.9278340180
  C         6.1773695755       -0.8496605448       10.1470766049
  C         6.5123336082       -0.1749772164        8.8137128586
  C         5.6542829935        2.3957513955        6.7831812565
  C         4.6739206590        2.8124906777        7.9084025916
  C         4.6722488974        4.3266744606        8.1689246024
  C         4.5517410565        5.1304351130        6.8760616571
  C         5.7137625502        4.7991774265        5.9451786550
  C         5.5814778493        3.3238538825        5.5428005628
  C         6.9815899415        0.0979079825        5.4798119179
  C         6.9268498159        0.2281113452        3.9552832757
  P         5.3001266401       -0.2506368695        3.2659238929
  C         5.5048908262       -2.0370389295        2.7504837225
  C         4.3545907428       -2.4549519378        1.8120114506
  C         4.3795699339       -3.9523740805        1.4825206546
  C         4.2470398348       -4.7682196350        2.7798824810
  C         5.4082611824       -4.4245011373        3.7289212200
  C         5.4679013987       -2.9028764820        4.0278474445
  C         5.1901313204        0.7170831668        1.7019414361
  C         4.8762125284        2.2255720980        1.9432091225
  C         4.3933099850        2.8373836351        0.6146081003
  C         5.4636416796        2.6433186524       -0.4658035502
  C         5.9087595186        1.1901742798       -0.6580495308
  C         6.3477430967        0.5557166951        0.6741035572
  C         1.9083304193        0.2755848199        3.4683795462
  C         1.9032187954       -0.9667813075        4.1090326121
  C         1.0573667962       -0.8030449241        5.3775794133
  C         1.9059282854        0.1617822533        6.2408264003
  C         1.8755811450        1.4063969403        5.6089883074
  C         1.0343598482        1.2142225228        4.3274934134
  C        -0.0146819696        0.2222288496        4.9045840287
  H         4.4679446249        0.1892382580        8.4356645354
  H         5.5450859386       -2.3586137034        7.1123684060
  H         3.9331499803       -1.6966072136        6.9471375439
  H         4.3281210527       -3.4977101758        8.7538260173
  H         3.5759860037       -2.0489388015        9.4434397879
  H         5.4304301022       -2.7220280037       10.9002843960
  H         6.5196780253       -2.8700727438        9.5273457497
  H         7.0890893870       -0.8844555827       10.7647397447
  H         5.4559933998       -0.2208055576       10.6955388743
  H         6.7892725210        0.8734487745        9.0157488615
  H         7.3998908335       -0.6793173340        8.4137875161
  H         6.6791620007        2.3857246697        7.1931363013
  H         4.9419209411        2.2751156329        8.8326337879
  H         3.6503933583        2.5189344970        7.6343265433
  H         5.6009502383        4.6114387477        8.6838455106
  H         3.8347483019        4.6114397989        8.8208497623
  H         4.5305018640        6.1998453009        7.1106924588
  H         3.5899390478        4.9114950105        6.3795523650
  H         6.6598264699        4.9877049657        6.4775100759
  H         5.7175991427        5.4565688359        5.0647722526
  H         6.3434145512        3.0400432556        4.8033880535
  H         4.6061524118        3.2014995810        5.0346664559
  H         7.8166531366        0.7130551499        5.8315246247
  H         7.1556236796       -0.9336451425        5.8175984483
  H         7.7183385287       -0.3238143052        3.4269263819
  H         7.0362197687        1.2909689854        3.6875046370
  H         6.4931321608       -2.1436823338        2.2758563013
  H         4.3073616181       -1.8481254585        0.8976830985
  H         3.4329815494       -2.2592030052        2.3799743769
  H         5.3025686737       -4.1868090127        0.9293799555
  H         3.5673425576       -4.2174991897        0.7913807084
  H         4.1705343685       -5.8356686981        2.5238816071
  H         3.2907640565       -4.5306824398        3.2681063918
  H         5.3614754045       -4.9533955854        4.6940399230
  H         6.3182133272       -4.7576613025        3.2131924548
  H         6.3253439660       -2.6511339869        4.6668576596
  H         4.5829221481       -2.5660732649        4.5995917237
  H         4.3062355291        0.2176092809        1.2771732414
  H         5.7810750537        2.7409081000        2.3101092298
  H         4.1243379813        2.3805306413        2.7344008456
  H         4.2195438394        3.9238445404        0.6686366633
  H         3.4272023568        2.3653111676        0.3743875952
  H         6.2983880795        3.2720899205       -0.1158741478
  H         5.1164776278        3.0394977578       -1.4269238748
  H         6.6833298963        1.1090934579       -1.4412598754
  H         5.0585516204        0.6007292604       -1.0327296787
  H         7.2430999227        1.0722245822        1.0455528490
  H         6.6020475478       -0.4986358048        0.4954619473
  H         2.2595121540        0.4963975537        2.4650100487
  H         2.1853607703       -1.9262033281        3.6838734187
  H         0.7416511458       -1.7259566299        5.8712191618
  H         2.1035796410        0.0464483184        7.2976743333
  H         2.0169026538        2.3589625995        6.1253570833
  H         0.6908907949        2.1242916287        3.8273000605
  H        -0.5125298232        0.6695738161        5.7748995898
  H        -0.7374114389       -0.1458517105        4.1733218365
 Rh        14.7428696480       19.6492452816       14.9275979552
  P        12.9487543722       19.2158370422       13.4771537438
  C        13.1087103676       20.2147037454       11.9400868002
  C        13.5085844125       21.6726337440       12.2395902249
  C        13.8198667944       22.3642338469       10.9116757681
  C        12.6688259890       22.2615501355        9.9079812325
  C        12.2589429013       20.8062302274        9.6514317245
  C        11.9277486725       20.0774859754       10.9630481826
  C        12.6701830289       17.4746277163       12.8677342130
  C        13.7005950304       17.0488104671       11.8094147284
  C        13.6012846932       15.5423450828       11.5330973765
  C        13.7706846518       14.7032633053       12.8021472145
  C        12.6522314410       15.0472250181       13.7833445354
  C        12.7019522869       16.5496935655       14.1003131223
  C        11.3302782597       19.7097715897       14.3020715750
  C        11.4860468475       19.6962448807       15.8344777562
  P        13.1309938262       20.1709763716       16.5196830198
  C        12.9226506541       21.9493798957       17.0083101714
  C        13.9964227486       22.3936991396       18.0238896247
  C        14.0442086393       23.9252266269       18.2064178329
  C        14.0765606053       24.6934409377       16.8830191894
  C        12.8889412947       24.2782849159       16.0201261716
  C        13.0116708309       22.7796409308       15.7192902132
  C        13.3017654454       19.1991581363       18.1031098599
  C        13.5745452187       17.7101722519       17.7916326294
  C        14.0160029972       16.9753233266       19.0641087382
  C        12.9832993553       17.1304464066       20.1775380379
  C        12.5899502876       18.5943749953       20.4266428371
  C        12.1694541089       19.3559193934       19.1434885281
  C        16.4466128950       19.6489324754       16.3149765147
  C        16.4742341860       20.8496234024       15.6044288680
  C        17.3523688788       20.5995242140       14.3626311659
  C        16.4871941816       19.6054660749       13.5335459195
  C        16.4795826170       18.4160581246       14.2646987877
  C        17.3240791814       18.6623918365       15.5305895214
  C        18.4055970492       19.6156637276       14.9327241199
  H        14.0163851221       19.7959072517       11.4605771296
  H        12.7466119596       22.2466415406       12.7899740917
  H        14.4210486168       21.6184902488       12.8644700258
  H        14.1122340120       23.4110276188       11.0758323102
  H        14.6788573959       21.8249238534       10.4871314435
  H        12.9797449471       22.6915146713        8.9458025555
  H        11.8021183293       22.8395932736       10.2597675600
  H        11.4166358993       20.8057462072        8.9421611924
  H        13.0868882200       20.2758617923        9.1485134488
  H        11.6829911500       19.0214906618       10.7780817340
  H        11.0387843452       20.5263365422       11.4224562540
  H        11.6612084124       17.4143654126       12.4249722436
  H        13.5777891956       17.5928880815       10.8584784035
  H        14.7139132916       17.2618929162       12.1807472045
  H        12.6252072533       15.3116768349       11.0768968302
  H        14.3829273293       15.2829468490       10.8123118594
  H        13.8170163591       13.6343751170       12.5443011207
  H        14.7408432399       14.9117001538       13.2810711186
  H        11.6742804684       14.7640140131       13.3614298351
  H        12.7910263969       14.5136350420       14.7339692640
  H        11.8557124752       16.8295548606       14.7389507529
  H        13.6237254408       16.7475434692       14.6758218315
  H        10.5246697443       18.9930184690       14.0606970395
  H        11.0139552746       20.6934371322       13.9073718894
  H        10.7155948084       20.3026625009       16.3260572376
  H        11.3819606950       18.6576709972       16.1820286756
  H        11.8967224335       22.0932721046       17.3944708875
  H        13.8219304334       21.9290094782       19.0017883132
  H        14.9554830112       21.9774679460       17.6807185585
  H        13.1452734514       24.2406764781       18.7580857816
  H        14.8790451461       24.2331963337       18.8468696112
  H        14.0956397596       25.7709829384       17.0962849705
  H        14.9779185674       24.4602503829       16.2984334391
  H        12.8785787009       24.8033185602       15.0563111200
  H        11.9510015385       24.4873166478       16.5569777950
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 Rh        12.5881812758        9.7172435343        4.6615528609
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  F         0.2422404348        5.0612097128        4.3367613952
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  F        11.2195175256        9.0214996100       20.1798493863
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  C        11.3844279963       11.0473906689       18.2042385147
  C        11.8641998071       12.0246762959       17.3307215494
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  C        13.2444695416       10.4018253183       16.1025494015
  C        12.7717602483        9.4350069388       17.0095582807
  B        14.1531723916        9.9819549057       14.8032235807
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  C        15.7998739165       12.0078658012       15.2857945181
  C        16.7058168155       12.9925360998       14.8701570918
  C        17.0802029394       13.1171565801       13.5290646967
  C        16.5009983377       12.2630476384       12.5827929668
  C        15.5480310246       11.3235427545       13.0002986092
  C        16.8336440044       12.3895390857       11.1046033655
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  F        15.7503098783       12.8175441138       10.3464339836
  F        17.2282645164       11.1945356255       10.5515329668
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  F        18.1449936875       14.8401060672       15.3949297955
  F        17.8435635736       13.2591942940       16.9333477080
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  C        12.4838023888       10.6529562778       12.8309382454
  C        11.5028601638       10.4180883789       11.8510769520
  C        11.0193662309        9.1237111139       11.6317945831
  C        11.6110430696        8.0789247704       12.3479621041
  C        12.6335702393        8.3112821349       13.2745087980
  C        11.0244840994        6.7032216078       12.2177975208
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  F        11.9216041855        5.6951946395       12.4578458239
  F        10.0085544563        6.5016301309       13.1252618998
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  F        10.6281737150       12.6593002602       11.7337431206
  F        11.7515882958       11.8913359660        9.9844142377
  C        15.1845330713        8.7570004803       15.0924921350
  C        15.8562675484        8.5953322462       16.3160414396
  C        16.7848939950        7.5675014397       16.4814825272
  C        17.0872691009        6.6904852101       15.4412417319
  C        16.4755175512        6.8568700396       14.2089849477
  C        15.5444839241        7.8967782642       14.0401738286
  C        17.4641503751        7.2486636561       17.7720215750
  F        17.6162223551        8.3217649803       18.6141707103
  F        16.7957352606        6.2677414461       18.4697989126
  F        18.7132203024        6.7343517250       17.5254949639
  C        11.3843767168       13.4368474739       17.4350605349
  F        10.7836642610       13.6753113225       18.6281166979
  F        10.4790719913       13.7371876021       16.4286661817
  F        12.4014337407       14.3424992545       17.3019863026
  F        17.6280240595        4.8856930974       13.4771190440
  F        17.3738107579        6.5347454770       12.0167792491
  F        15.6558614685        5.2770182723       12.6029054694
  C        16.7857666223        5.8994591442       13.0830725945
  H        10.6563719639       11.2868702471       18.9797538844
  H        12.9851751281       12.4856856990       15.5764640275
  H        13.1127589766        8.4110202633       16.9175530186
  H        15.6038172079       11.8704284325       16.3508885123
  H        17.7970368705       13.8781604916       13.2420507127
  H        15.0742877299       10.6872745323       12.2538876202
  H        12.7848261610       11.6767166255       13.0560695843
  H        10.1624766876        8.9375668809       10.9883207528
  H        13.0441363749        7.4302860694       13.7721196319
  H        15.6767668386        9.3001685646       17.1231560425
  H        17.7957903125        5.8929688794       15.6279874315
  H        15.0771799810        8.0523628429       13.0691631272
  F         2.7271336191       18.6290022818       20.1098136738
  C         2.6898910935       18.2889089891       18.7810868249
  F         1.3639753468       18.0128220569       18.4918335729
  F         3.3570611010       17.0970195847       18.6376067441
  C         3.2752897802       19.3857675568       17.9303221194
  C         4.1171872755       19.0516844427       16.8577955154
  C         4.6658410008       20.0135713837       15.9771525899
  C         4.2645629641       21.3351663098       16.2148655343
  C         3.4523558670       21.6729124358       17.3006663831
  C         2.9623309433       20.7240990397       18.1885593394
  C         2.9256244150       23.0570613491       17.4392557014
  F         2.3004421983       23.2896741090       18.6322157280
  F         3.9089318188       23.9948911100       17.3147807592
  F         1.9900750401       23.2907447080       16.4429437477
  B         5.6075176079       19.6299998554       14.6760359362
  C         6.6781937528       18.4458121301       14.9809532810
  C         7.3062721985       18.3231748909       16.2329127181
  C         8.2551299822       17.3301869963       16.4814319403
  C         8.6166316325       16.4234571210       15.4915246852
  C         8.0254366660       16.5444188046       14.2323560457
  C         7.1039798773       17.5736342920       13.9650615614
  C         8.4061391720       15.5919154822       13.1394433367
  F         7.3070977334       15.0309979402       12.5419426262
  F         9.2084997900       14.5668281807       13.5675925338
  F         9.1083228228       16.2376178902       12.1586345445
  C         8.7874411812       17.1622190440       17.8676236709
  F         8.9142733678       18.3735364955       18.4895353442
  F        10.0159141074       16.5644118732       17.8934572573
  F         7.9701608226       16.3936232800       18.6843595879
  C         6.6404792571       20.8224738509       14.2735842033
  C         7.2141483055       21.6552037645       15.2463150766
  C         8.1736299725       22.6136111583       14.9035458260
  C         8.6032997942       22.7665730646       13.5800685838
  C         8.0281396119       21.9541626475       12.5991745602
  C         7.0845534533       20.9848615606       12.9548931628
  C         8.3857248147       22.1093925601       11.1458025742
  F         8.8148975968       20.9006098703       10.6320157397
  F         9.3662324803       23.0322226990       10.9295893472
  F         7.3199237687       22.5089091270       10.3573119320
  C         8.6787566422       23.5758877362       15.9366589125
  F         9.5853620778       24.4616479310       15.4144232098
  F         7.6899353780       24.3513837569       16.5022853358
  F         9.2777626060       22.8867861174       16.9650831801
  C         4.5596320749       19.2514890309       13.4644015690
  C         4.0643678983       17.9488796665       13.2624881723
  C         3.0924877590       17.6858295334       12.2861737343
  C         2.5803014238       18.6888629473       11.4730905286
  C         3.0097222648       20.0054485492       11.6883326368
  C         3.9943163223       20.2625778979       12.6551140203
  C         2.3906500652       21.1221210291       10.8827978280
  F         2.3625183680       20.7821137838        9.5433807264
  F         1.0826249759       21.3938077372       11.2317295993
  F         3.0336361868       22.3185261693       11.0059392779
  C         2.5027636383       16.3101557383       12.1731476593
  F         1.9283349874       16.0502454692       10.9565550038
  F         3.4265472616       15.3248257259       12.3996851901
  F         1.5201961749       16.1209300528       13.1290697183
  H         4.3495775083       17.9980561014       16.7292501829
  H         4.5646006190       22.1040988463       15.5070734591
  H         2.3270085271       21.0739969536       18.9976135062
  H         7.0469607702       18.9905014191       17.0501974403
  H         9.3427061852       15.6527449067       15.7295808890
  H         6.6940397661       17.7356727917       12.9622768447
  H         6.8460580455       21.5947391518       16.2696071653
  H         9.3189983425       23.5492734608       13.3472158628
  H         6.6573764278       20.3487262104       12.1833630519
  H         4.4279861899       17.1039254888       13.8492548946
  H         1.8941753893       18.3688028097       10.6919707657
  H         4.3516486495       21.2825732790       12.7699927731
  F        15.6729826288        1.2827136840       -0.3053560944
  C        15.7068325518        1.6414378503        1.0229376701
  F        17.0371424592        1.9033106526        1.3047284543
  F        15.0432737962        2.8279649151        1.1552853741
  C        15.1263694983        0.5771099345        1.9107575761
  C        14.3191177703        0.9266223462        3.0048749115
  C        13.8028054676       -0.0429259362        3.8929040873
  C        14.2229298573       -1.3648499346        3.6747707116
  C        15.0240751874       -1.7203149446        2.5759199585
  C        15.4526157704       -0.7613182681        1.6583094408
  C        15.4981386686       -3.1329101290        2.3814804727
  F        16.0981433865       -3.3665711490        1.1703994369
  F        14.4897923374       -4.0499200322        2.4848616600
  F        16.4186833587       -3.4475193630        3.3600390975
  B        12.8228765653        0.2558620514        5.1864528095
  C        11.7287690073        1.4409418689        4.9068974196
  C        11.1516047929        1.5262811863        3.6245168535
  C        10.1868661059        2.4973094652        3.3077828374
  C         9.7438762260        3.3939120030        4.2919969720
  C        10.3031970496        3.3214520925        5.5754105181
  C        11.2724105105        2.3528596081        5.8717867637
  C         9.9587089053        4.3029687143        6.6683791542
  F        11.0827319058        4.8734628325        7.2419944543
  F         9.1859711858        5.3410644493        6.2303041686
  F         9.2958728561        3.6836865758        7.6982245968
  C         9.6411739386        2.7170813476        1.9078604609
  F         9.4890370854        1.5380179712        1.2381674466
  F         8.4032510183        3.3396110410        1.9057978838
  F        10.4405478606        3.5213280435        1.1093812497
  C        11.8272828966       -1.0077202837        5.5535653449
  C        11.2974084070       -1.8917050703        4.5941382844
  C        10.3090324588       -2.8260539397        4.9165225862
  C         9.8315642532       -2.9828268781        6.2189607645
  C        10.3416714421       -2.1120068462        7.1903271623
  C        11.2997912816       -1.1490191616        6.8514876950
  C         9.9653725864       -2.1978484992        8.6446936720
  F         9.5861221731       -0.9754630419        9.1587103203
  F         8.9477323833       -3.0625059345        8.8701161629
  F        11.0148371774       -2.6040718585        9.4442610202
  C         9.7509678527       -3.7020573779        3.8401254018
  F         8.8115615976       -4.5643579968        4.3167289393
  F        10.7131417682       -4.4520736713        3.2162063064
  F         9.1331611332       -2.9638937142        2.8505160330
  C        13.8825047201        0.5873453889        6.3779680931
  C        14.3762073826        1.8890245330        6.5959040336
  C        15.3281368058        2.1899337483        7.5834393752
  C        15.8214324352        1.1661390257        8.3945809177
  C        15.3972686428       -0.1391918907        8.1329069311
  C        14.4643296311       -0.4406176653        7.1459621402
  C        16.0209647637       -1.2309211384        8.9273017778
  F        16.0422303109       -0.8742352081       10.2600209310
  F        17.3247340660       -1.4867235376        8.5674574323
  F        15.3703063047       -2.4174093174        8.7949925602
  C        15.9042821969        3.5808819122        7.6588059008
  F        16.4773501845        3.8663900941        8.8634541478
  F        14.9657702330        4.5413242106        7.4013926418
  F        16.8757419084        3.7872314914        6.6799947007
  H        14.0673731410        1.9796005014        3.1325134863
  H        13.8214337383       -2.1100548439        4.3625964716
  H        16.0230757876       -1.0704146537        0.7841663784
  H        11.5439272174        0.8270524216        2.8878406649
  H         9.0066495651        4.1307262513        3.9847380856
  H        11.7273806472        2.3553280145        6.8631928234
  H        11.6680233063       -1.8914135416        3.5704269973
  H         9.1594816328       -3.8114074109        6.4275099500
  H        11.6642971816       -0.5226930664        7.6633277843
  H        14.0110190467        2.6910231628        5.9538401990
  H        16.5566630934        1.3549628701        9.1702905227
  H        14.2026892228       -1.4870554800        6.9761625258
  H        10.7361331212       11.7902096528        4.8264846688
  H        12.1694978606       10.5822696053        3.4577318605
     646
 i =       22, E =         0.0346680535
 Rh         3.6201601691        0.2527082183        4.8263747880
  P         5.3695100934        0.6365937120        6.2779173569
  C         5.2894989095       -0.2919618305        7.8785193602
  C         4.7991741105       -1.7340890644        7.6325393651
  C         4.4900471698       -2.4273052617        8.9658284159
  C         5.6782497785       -2.2787957684        9.9299672316
  C         6.1784544511       -0.8439372738       10.1482920582
  C         6.5152774711       -0.1722278790        8.8139321318
  C         5.6533561409        2.3943704577        6.7817696757
  C         4.6741566879        2.8103499320        7.9086265647
  C         4.6677924595        4.3249038212        8.1675600738
  C         4.5499043984        5.1276049535        6.8737868870
  C         5.7165478566        4.7979020553        5.9479744817
  C         5.5810040928        3.3236727777        5.5422816391
  C         6.9800363312        0.0962700424        5.4783194209
  C         6.9246301816        0.2267570559        3.9541911240
  P         5.2988752676       -0.2506719536        3.2641362076
  C         5.5032270498       -2.0370929263        2.7475956896
  C         4.3520394183       -2.4551700350        1.8102886189
  C         4.3804356686       -3.9517296584        1.4767464049
  C         4.2439552002       -4.7687022881        2.7732198304
  C         5.4022740977       -4.4248608160        3.7261408434
  C         5.4627790384       -2.9029036118        4.0248644018
  C         5.1951495893        0.7186685208        1.7008451041
  C         4.8816344169        2.2277751597        1.9416698134
  C         4.3943046675        2.8364312925        0.6130817683
  C         5.4626157103        2.6405914955       -0.4690155622
  C         5.9114403486        1.1883809896       -0.6592395855
  C         6.3542988154        0.5579651596        0.6737316293
  C         1.9077365235        0.2761671312        3.4674464359
  C         1.9032716972       -0.9676573850        4.1051616253
  C         1.0568087990       -0.8078726592        5.3733795941
  C         1.9035752802        0.1565838943        6.2392364729
  C         1.8712380758        1.4029229085        5.6106022646
  C         1.0315552170        1.2117831519        4.3275475727
  C        -0.0164118367        0.2180317879        4.9039872057
  H         4.4718705461        0.1910001250        8.4381526398
  H         5.5397736968       -2.3596021503        7.1127368187
  H         3.9307240861       -1.6906868067        6.9505164224
  H         4.3320417537       -3.4957209875        8.7561266226
  H         3.5736154494       -2.0501424811        9.4455789847
  H         5.4309717711       -2.7153519770       10.9028725600
  H         6.5192865694       -2.8630738080        9.5288050481
  H         7.0903784707       -0.8808284171       10.7656894268
  H         5.4593224513       -0.2120354982       10.6963581321
  H         6.7922017674        0.8765712534        9.0146339607
  H         7.4036654334       -0.6775416034        8.4171055497
  H         6.6786024631        2.3821840931        7.1907591810
  H         4.9463372763        2.2748551948        8.8328107865
  H         3.6509172719        2.5129333954        7.6376237267
  H         5.5939436297        4.6125817213        8.6854144563
  H         3.8271963301        4.6088170912        8.8159039564
  H         4.5244360157        6.1969736124        7.1077860178
  H         3.5907194995        4.9052385687        6.3734866047
  H         6.6598566265        4.9821070075        6.4868695432
  H         5.7276325805        5.4585223372        5.0699762958
  H         6.3404445616        3.0384565873        4.8008946436
  H         4.6042653224        3.2052612476        5.0357608481
  H         7.8152044044        0.7121881434        5.8282431023
  H         7.1543199181       -0.9349154759        5.8169383647
  H         7.7158008346       -0.3235464376        3.4236324172
  H         7.0320242584        1.2901337717        3.6875862340
  H         6.4920512170       -2.1445530735        2.2743156576
  H         4.2973741365       -1.8447113819        0.8988548529
  H         3.4327752784       -2.2658982557        2.3844291143
  H         5.3053008925       -4.1838136382        0.9257196125
  H         3.5708061499       -4.2172886693        0.7826988805
  H         4.1674705647       -5.8359491282        2.5164847865
  H         3.2857981712       -4.5311237662        3.2578047465
  H         5.3529868555       -4.9530980573        4.6914659297
  H         6.3130530608       -4.7590792737        3.2128252913
  H         6.3183060107       -2.6514966222        4.6664020704
  H         4.5765513268       -2.5640644942        4.5936730011
  H         4.3124615524        0.2195364785        1.2734294397
  H         5.7877738489        2.7437366340        2.3048416795
  H         4.1326092720        2.3846002724        2.7352526188
  H         4.2214959546        3.9232882956        0.6631451358
  H         3.4272142880        2.3635567189        0.3781689344
  H         6.2957994831        3.2721272228       -0.1203930670
  H         5.1138172548        3.0341982104       -1.4305007841
  H         6.6839457149        1.1081645139       -1.4446921092
  H         5.0621197902        0.5953804064       -1.0303209840
  H         7.2481307066        1.0782902541        1.0435184633
  H         6.6122763533       -0.4957683404        0.4967609871
  H         2.2633536027        0.5005356443        2.4662609097
  H         2.1872136580       -1.9257156900        3.6781970757
  H         0.7423859930       -1.7324619826        5.8648086996
  H         2.0967292294        0.0414738735        7.2969398336
  H         2.0043527681        2.3539988044        6.1326825886
  H         0.6868652470        2.1217672691        3.8279217787
  H        -0.5105119554        0.6637984802        5.7774642802
  H        -0.7423253912       -0.1473597081        4.1745807306
 Rh        14.7422692987       19.6500949681       14.9262827666
  P        12.9453202804       19.2154114918       13.4771262574
  C        13.1048041586       20.2148210543       11.9410395403
  C        13.5065506192       21.6721369706       12.2410506444
  C        13.8183533152       22.3617621070       10.9124113650
  C        12.6684519517       22.2586291722        9.9074960800
  C        12.2594392473       20.8031917581        9.6505979139
  C        11.9254022617       20.0759109801       10.9622215310
  C        12.6664636539       17.4750700059       12.8649927070
  C        13.6965712267       17.0491346423       11.8064475148
  C        13.5975186945       15.5420888993       11.5330984713
  C        13.7714331447       14.7055809588       12.8033838706
  C        12.6524373102       15.0476866257       13.7846962666
  C        12.6987860762       16.5509900836       14.0980515126
  C        11.3270361512       19.7078138023       14.3047995445
  C        11.4875092166       19.7000978501       15.8369824449
  P        13.1324712056       20.1735573902       16.5215680354
  C        12.9248111535       21.9523593675       17.0082157034
  C        13.9955992426       22.3992391080       18.0260841811
  C        14.0443181647       23.9318134277       18.2029955437
  C        14.0759074999       24.6971267507       16.8777204118
  C        12.8895947431       24.2774372234       16.0151957765
  C        13.0200492835       22.7788782725       15.7172101368
  C        13.3001393987       19.2010365665       18.1054941528
  C        13.5722701340       17.7121027311       17.7924719907
  C        14.0167378594       16.9768056492       19.0636430045
  C        12.9865429134       17.1311854156       20.1793228662
  C        12.5897923883       18.5942974706       20.4284080493
  C        12.1674560324       19.3569632743       19.1460098806
  C        16.4436763713       19.6499091216       16.3155312341
  C        16.4731979126       20.8501114868       15.6042579707
  C        17.3533950365       20.5986187225       14.3641993356
  C        16.4889576692       19.6035438500       13.5347242302
  C        16.4803773247       18.4149828125       14.2674122715
  C        17.3228795942       18.6628208484       15.5343575045
  C        18.4055897968       19.6147072048       14.9357084468
  H        14.0136144581       19.7970447127       11.4623378177
  H        12.7478440143       22.2484268999       12.7936677429
  H        14.4205240998       21.6144442213       12.8638668961
  H        14.1126007745       23.4082687504       11.0747106780
  H        14.6762456311       21.8193172547       10.4893439893
  H        12.9811768459       22.6876921500        8.9455163842
  H        11.8008577739       22.8365106035       10.2572633571
  H        11.4195794801       20.8026769034        8.9383581266
  H        13.0889961842       20.2725647082        9.1504147677
  H        11.6817244846       19.0194094416       10.7783400523
  H        11.0352982548       20.5246667442       11.4193690195
  H        11.6573124409       17.4148096380       12.4225020138
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 Rh        12.5922319094        9.7120807036        4.6634259671
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  F         0.2411082502        5.0608038356        4.3375033428
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  F         7.4905974254        5.8846449508        3.3000543709
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  F        11.2197159592        9.0215124378       20.1802319298
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  C        11.3823393857       11.0478012769       18.2047869446
  C        11.8627313567       12.0248820951       17.3316722408
  C        12.7426417098       11.6988117169       16.2896431445
  C        13.2440822906       10.4026657409       16.1038408511
  C        12.7729538971        9.4365338526       17.0124083055
  B        14.1528137359        9.9819082504       14.8047498445
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  C        15.8017919708       12.0055566827       15.2883100057
  C        16.7062207542       12.9910047288       14.8712839253
  C        17.0794409298       13.1159494377       13.5300920464
  C        16.4995982736       12.2626246182       12.5834799006
  C        15.5462180939       11.3239714949       13.0019088026
  C        16.8321881429       12.3895843913       11.1046533929
  F        17.8412862770       13.2717759810       10.8471243655
  F        15.7493605579       12.8177381173       10.3460775571
  F        17.2275843493       11.1949519827       10.5510900649
  C        17.2423109202       13.9402632290       15.9006877592
  F        16.2470012767       14.6766819486       16.4896334172
  F        18.1448083311       14.8401628810       15.3944244028
  F        17.8438254411       13.2594202886       16.9333667036
  C        13.0809687757        9.6141286394       13.5851842528
  C        12.4839670262       10.6521490871       12.8317321712
  C        11.5028046519       10.4183128372       11.8520592195
  C        11.0172860853        9.1244028632       11.6338433738
  C        11.6113115729        8.0788352200       12.3472017599
  C        12.6361606984        8.3096969690       13.2712470524
  C        11.0243117742        6.7032308446       12.2172846336
  F        10.4909871231        6.4955026813       10.9848479711
  F        11.9215097310        5.6952471413       12.4574928553
  F        10.0085196444        6.5017516677       13.1250492844
  C        10.9185990555       11.5335556930       11.0196073966
  F         9.7413317577       11.1800537938       10.4115699229
  F        10.6279331616       12.6595939468       11.7337104508
  F        11.7512429283       11.8914549386        9.9845045261
  C        15.1849529526        8.7582915990       15.0943611197
  C        15.8577291256        8.5984603359       16.3168903344
  C        16.7861686949        7.5693199311       16.4817242819
  C        17.0869581382        6.6925411746       15.4414252871
  C        16.4759212771        6.8578982976       14.2097808780
  C        15.5441865833        7.8984101375       14.0415463845
  C        17.4649407172        7.2499286139       17.7718734782
  F        17.6166688340        8.3221903088       18.6143385860
  F        16.7961946821        6.2687131047       18.4689912099
  F        18.7139249107        6.7353964583       17.5249748587
  C        11.3839845858       13.4373210400       17.4352807478
  F        10.7835370265       13.6757265813       18.6282697838
  F        10.4789689040       13.7373694805       16.4285704284
  F        12.4013832065       14.3425356289       17.3018726372
  F        17.6278920414        4.8863312568       13.4768239011
  F        17.3736804742        6.5350728436       12.0164040193
  F        15.6558102944        5.2774314199       12.6026359059
  C        16.7856513820        5.9002714467       13.0829744692
  H        10.6523610362       11.2871502649       18.9791239914
  H        12.9807623190       12.4860126362       15.5760334979
  H        13.1159636379        8.4133731332       16.9227799083
  H        15.6089413593       11.8657075493       16.3536113185
  H        17.7966970910       13.8769872812       13.2436766525
  H        15.0701834346       10.6884396378       12.2565310869
  H        12.7851846680       11.6754259431       13.0587578370
  H        10.1567901988        8.9396532885       10.9946399079
  H        13.0490648005        7.4271502303       13.7643127211
  H        15.6807078731        9.3045886459       17.1231213411
  H        17.7957652144        5.8948710281       15.6294216175
  H        15.0763616455        8.0551123121       13.0711686375
  F         2.7272224854       18.6288915064       20.1110183546
  C         2.6900565751       18.2899944458       18.7822197701
  F         1.3643488825       18.0130075245       18.4924022405
  F         3.3571383154       17.0976373172       18.6379989774
  C         3.2760448194       19.3880473383       17.9323592819
  C         4.1172117589       19.0533093249       16.8595905149
  C         4.6661192547       20.0142165391       15.9775423674
  C         4.2645159870       21.3360074127       16.2140454350
  C         3.4545721386       21.6749419608       17.3006869273
  C         2.9652166937       20.7271326866       18.1907053904
  C         2.9266369016       23.0588621031       17.4394222911
  F         2.3006032093       23.2897251906       18.6324682162
  F         3.9078416373       24.0011433741       17.3154213125
  F         1.9901918613       23.2907479881       16.4435365251
  B         5.6080305862       19.6304195442       14.6762813668
  C         6.6807627228       18.4482514482       14.9808754768
  C         7.3094309183       18.3262248764       16.2325072755
  C         8.2572629797       17.3317883326       16.4807330822
  C         8.6171152572       16.4248120662       15.4909708389
  C         8.0267709817       16.5463015349       14.2316123840
  C         7.1068062983       17.5773134510       13.9641381578
  C         8.4061618187       15.5925520164       13.1391239772
  F         7.3069302539       15.0312293600       12.5421685077
  F         9.2082100234       14.5671590166       13.5675814087
  F         9.1081089028       16.2377352735       12.1580370992
  C         8.7882771679       17.1628613319       17.8672364246
  F         8.9145077108       18.3737623518       18.4897541677
  F        10.0162531130       16.5644623586       17.8934546246
  F         7.9706389532       16.3941853657       18.6835789461
  C         6.6412163849       20.8223383950       14.2744696999
  C         7.2145854310       21.6543940702       15.2477352073
  C         8.1753102196       22.6116360511       14.9054587860
  C         8.6062839696       22.7638600365       13.5821200317
  C         8.0301154812       21.9529859186       12.6004981661
  C         7.0859079005       20.9843649280       12.9560277655
  C         8.3859132301       22.1091748389       11.1465670195
  F         8.8145945251       20.9005693992       10.6320414437
  F         9.3658927363       23.0323593158       10.9296993406
  F         7.3194225224       22.5087671617       10.3588379060
  C         8.6791887457       23.5754352361       15.9379994963
  F         9.5851334377       24.4615179120       15.4148387683
  F         7.6898199345       24.3511145485       16.5023974633
  F         9.2779861609       22.8877114272       16.9682050330
  C         4.5612443004       19.2501666099       13.4641076849
  C         4.0664850594       17.9471025827       13.2631691320
  C         3.0951269887       17.6832460642       12.2863408364
  C         2.5832163062       18.6859538642       11.4724720366
  C         3.0109413415       20.0034362783       11.6874477611
  C         3.9962367934       20.2605327559       12.6540674132
  C         2.3908385069       21.1212230574       10.8829748693
  F         2.3620720203       20.7820184135        9.5435627184
  F         1.0826966425       21.3932660422       11.2324386065
  F         3.0332363650       22.3180988357       11.0064573608
  C         2.5038413030       16.3072908014       12.1739680032
  F         1.9280410435       16.0500403566       10.9578328738
  F         3.4246067370       15.3188824548       12.3990772681
  F         1.5203320789       16.1208837273       13.1295970085
  H         4.3483591726       17.9992368990       16.7320639327
  H         4.5628521232       22.1035074704       15.5040331875
  H         2.3321834963       21.0802357070       19.0000487808
  H         7.0518142680       18.9943970403       17.0496293888
  H         9.3422175053       15.6531936149       15.7294610260
  H         6.6980483329       17.7423815128       12.9612975008
  H         6.8442122900       21.5947109283       16.2702631407
  H         9.3231945311       23.5459958665       13.3508247171
  H         6.6579198180       20.3488331597       12.1846741874
  H         4.4301501308       17.1020634474       13.8497875031
  H         1.8993682499       18.3636890288       10.6898609182
  H         4.3548252383       21.2801401338       12.7673681751
  F        15.6721572977        1.2829184183       -0.3058845978
  C        15.7058626611        1.6415461577        1.0222930661
  F        17.0360824790        1.9036118211        1.3041386756
  F        15.0424598339        2.8282386867        1.1546255533
  C        15.1252499508        0.5775652214        1.9106695681
  C        14.3203972836        0.9284120126        3.0063222132
  C        13.8039975023       -0.0406510317        3.8950905964
  C        14.2242792923       -1.3626514016        3.6779115507
  C        15.0227200952       -1.7197069837        2.5775467930
  C        15.4486668250       -0.7616473982        1.6574680898
  C        15.4971849697       -3.1322942237        2.3818033966
  F        16.0968064515       -3.3654129016        1.1701783165
  F        14.4890847770       -4.0496955566        2.4844914059
  F        16.4181819516       -3.4472387201        3.3596496814
  B        12.8226773671        0.2549177369        5.1889035956
  C        11.7266700512        1.4385279188        4.9107060193
  C        11.1504951312        1.5218219088        3.6276184900
  C        10.1862875530        2.4930302380        3.3085683175
  C         9.7421626056        3.3899533556        4.2921089401
  C        10.3008421923        3.3195536828        5.5760563113
  C        11.2700004572        2.3516148099        5.8742004706
  C         9.9573631996        4.3025926818        6.6679364124
  F        11.0815643794        4.8733495145        7.2409566807
  F         9.1852857098        5.3411284376        6.2300215150
  F         9.2952161739        3.6838784841        7.6983281440
  C         9.6409561002        2.7157502957        1.9081776272
  F         9.4883184087        1.5377765105        1.2376306155
  F         8.4029888140        3.3395333627        1.9059038698
  F        10.4398460845        3.5210159530        1.1098858938
  C        11.8283491396       -1.0105702527        5.5541574707
  C        11.3003132307       -1.8954391928        4.5946606864
  C        10.3095728271       -2.8276203805        4.9159945557
  C         9.8302672030       -2.9845440867        6.2177332974
  C        10.3399097241       -2.1137974032        7.1895741228
  C        11.2984548513       -1.1511880754        6.8510959572
  C         9.9643388783       -2.1985165408        8.6442019219
  F         9.5859725057       -0.9755795074        9.1582814903
  F         8.9463557623       -3.0625991024        8.8700709773
  F        11.0144334067       -2.6040248504        9.4434637706
  C         9.7507622608       -3.7025133156        3.8395429695
  F         8.8109943683       -4.5643697409        4.3162252511
  F        10.7127394166       -4.4521306761        3.2155450697
  F         9.1327438784       -2.9637321382        2.8503896249
  C        13.8817679111        0.5859612660        6.3803532944
  C        14.3755891660        1.8878135657        6.5979331432
  C        15.3269462308        2.1897747020        7.5855103029
  C        15.8190227021        1.1661581953        8.3982157434
  C        15.3963324081       -0.1393857582        8.1346648608
  C        14.4648529597       -0.4419446970        7.1473690341
  C        16.0208941328       -1.2309290098        8.9277286966
  F        16.0422592944       -0.8741811309       10.2601172786
  F        17.3245201537       -1.4865162294        8.5669490255
  F        15.3702524474       -2.4173954190        8.7946490682
  C        15.9035053756        3.5808110853        7.6592478877
  F        16.4771524429        3.8667469453        8.8632739979
  F        14.9650061132        4.5413041892        7.4011161578
  F        16.8747314183        3.7872793582        6.6797761833
  H        14.0703835332        1.9820228454        3.1332361629
  H        13.8229031094       -2.1057498912        4.3682995473
  H        16.0142503989       -1.0728445344        0.7809256951
  H        11.5455151841        0.8207589218        2.8939040898
  H         9.0048369982        4.1253240513        3.9820382187
  H        11.7252427769        2.3569034396        6.8655207841
  H        11.6744616423       -1.8986914994        3.5721457789
  H         9.1589263201       -3.8142928142        6.4240975093
  H        11.6616471942       -0.5253667615        7.6638504895
  H        14.0109090076        2.6889494395        5.9543577804
  H        16.5521361476        1.3544548385        9.1758397077
  H        14.2058707229       -1.4890569783        6.9761364191
  H        10.7322422492       11.7942725819        4.8195421278
  H        12.1549475645       10.5733231081        3.4610478086
     646
 i =       23, E =         0.0344979854
 Rh         3.6184020623        0.2525709948        4.8261880167
  P         5.3681313411        0.6355184907        6.2770923400
  C         5.2917619437       -0.2908269905        7.8791936707
  C         4.7977196903       -1.7318945772        7.6345262399
  C         4.4895073316       -2.4245798605        8.9682564018
  C         5.6776439034       -2.2726863015        9.9321511077
  C         6.1795541361       -0.8382144294       10.1495054776
  C         6.5182035976       -0.1694962446        8.8141367479
  C         5.6524692455        2.3929993718        6.7803715883
  C         4.6743862419        2.8082006469        7.9088386288
  C         4.6633075310        4.3231199799        8.1661850919
  C         4.5480763525        5.1247793809        6.8715153680
  C         5.7193391142        4.7966055241        5.9507995840
  C         5.5805398525        3.3234694427        5.5417487098
  C         6.9785214237        0.0946338540        5.4768579493
  C         6.9224512636        0.2254223520        3.9530990787
  P         5.2976067686       -0.2506953598        3.2623546788
  C         5.5015214687       -2.0371431886        2.7447161061
  C         4.3494484421       -2.4553803634        1.8085558814
  C         4.3812902717       -3.9510549668        1.4709690539
  C         4.2408713565       -4.7691796528        2.7665246706
  C         5.3962604967       -4.4252195602        3.7233330617
  C         5.4576264458       -2.9029484271        4.0218943396
  C         5.2001537075        0.7202375000        1.6997321946
  C         4.8870695627        2.2299629784        1.9401301512
  C         4.3953228045        2.8354701305        0.6115527907
  C         5.4615998907        2.6378515593       -0.4722487982
  C         5.9141241484        1.1865589977       -0.6604239802
  C         6.3608411071        0.5602147552        0.6733616542
  C         1.9071371797        0.2767600774        3.4664948476
  C         1.9033228859       -0.9685218592        4.1012830580
  C         1.0562445069       -0.8127178733        5.3691735005
  C         1.9012403219        0.1513533149        6.2376226083
  C         1.8669218746        1.3994171124        5.6122268981
  C         1.0287435207        1.2093256295        4.3276330906
  C        -0.0181444373        0.2137961840        4.9033752568
  H         4.4757632865        0.1928016270        8.4405802702
  H         5.5344959250       -2.3605076419        7.1131011354
  H         3.9283063312       -1.6848219507        6.9539801504
  H         4.3359538986       -3.4937095170        8.7585063352
  H         3.5713000163       -2.0513054021        9.4476948206
  H         5.4315293494       -2.7086785467       10.9054890615
  H         6.5189108170       -2.8561106620        9.5303341154
  H         7.0916588092       -0.8771539493       10.7666471456
  H         5.4626379571       -0.2033109079       10.6971411939
  H         6.7951335957        0.8796862562        9.0134472441
  H         7.4073897461       -0.6757677915        8.4203354027
  H         6.6780619547        2.3787218928        7.1883833875
  H         4.9507453875        2.2746233647        8.8329730492
  H         3.6514740405        2.5068929409        7.6409041468
  H         5.5868823734        4.6137278869        8.6869973244
  H         3.8196123031        4.6061133259        8.8109699396
  H         4.5183590080        6.1941191580        7.1048615507
  H         3.5915276351        4.8989906135        6.3673979777
  H         6.6598661251        4.9764639408        6.4962209588
  H         5.7376865498        5.4604207645        5.0752205808
  H         6.3375033352        3.0368860114        4.7984310589
  H         4.6024341427        3.2089747376        5.0368666445
  H         7.8137765741        0.7112889634        5.8250592770
  H         7.1530332504       -0.9361955352        5.8162492210
  H         7.7133017985       -0.3232833510        3.4204047398
  H         7.0278877577        1.2892935667        3.6876576764
  H         6.4908970081       -2.1454175333        2.2727444850
  H         4.2874126186       -1.8413283911        0.9000599026
  H         3.4325601727       -2.2725907940        2.3887364802
  H         5.3080372097       -4.1808146126        0.9221018025
  H         3.5742857952       -4.2170175148        0.7740047249
  H         4.1644679846       -5.8362308562        2.5090861942
  H         3.2808589453       -4.5315817711        3.2474442257
  H         5.3444100153       -4.9528252181        4.6888364795
  H         6.3079179215       -4.7604897384        3.2124954627
  H         6.3112519475       -2.6519263847        4.6659338837
  H         4.5701792893       -2.5621523990        4.5877541555
  H         4.3186720323        0.2215370559        1.2696177065
  H         5.7944855185        2.7465320974        2.2995076659
  H         4.1409260544        2.3886273810        2.7360714267
  H         4.2234108218        3.9227013373        0.6577459242
  H         3.4272871404        2.3618007249        0.3818890205
  H         6.2932801328        3.2721235165       -0.1250548117
  H         5.1111225157        3.0288731906       -1.4340918024
  H         6.6845962473        1.1072161886       -1.4480544277
  H         5.0657202619        0.5900107654       -1.0279248444
  H         7.2531212480        1.0843657897        1.0414918072
  H         6.6225256222       -0.4928859081        0.4981133496
  H         2.2670775259        0.5046715523        2.4675303799
  H         2.1890581327       -1.9251895796        3.6725220844
  H         0.7431295497       -1.7389654200        5.8583540760
  H         2.0899222021        0.0363759116        7.2961919427
  H         1.9919009723        2.3489513822        6.1399141660
  H         0.6828191820        2.1192575710        3.8285967141
  H        -0.5085790335        0.6579579935        5.7799740406
  H        -0.7471706082       -0.1489288358        4.1758261317
 Rh        14.7416304162       19.6509423675       14.9249907246
  P        12.9419146128       19.2149588918       13.4771591204
  C        13.1008825187       20.2149140743       11.9420107842
  C        13.5045210303       21.6716193667       12.2424885045
  C        13.8168564168       22.3592766461       10.9131264512
  C        12.6680886424       22.2556983690        9.9069914951
  C        12.2599372458       20.8001422145        9.6497729085
  C        11.9230507815       20.0743416500       10.9614038194
  C        12.6627257092       17.4754989844       12.8622821026
  C        13.6925148280       17.0494323954       11.8034956865
  C        13.5937546195       15.5418205034       11.5331050575
  C        13.7721756482       14.7079323652       12.8046198508
  C        12.6526702754       15.0481620416       13.7860735365
  C        12.6955888248       16.5522704841       14.0958118360
  C        11.3237763548       19.7057968843       14.3075675904
  C        11.4888915537       19.7039121910       15.8395089007
  P        13.1339451288       20.1761085755       16.5234108882
  C        12.9269885983       21.9553415087       17.0080860690
  C        13.9947605294       22.4048097483       18.0282574714
  C        14.0443999200       23.9384093922       18.1995364728
  C        14.0752469268       24.7008238069       16.8723886088
  C        12.8902836879       24.2765524335       16.0102089112
  C        13.0284574882       22.7781109875       15.7151170635
  C        13.2985143129       19.2029252506       18.1078624575
  C        13.5699789084       17.7140468222       17.7933272176
  C        14.0174728177       16.9783077971       19.0631829640
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 Rh        12.5964287243        9.7068448919        4.6653819343
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  H         0.6352549557        5.9850562933        6.8250725321
  H         3.4480912408        9.2121336612        7.5582963005
  H         5.7154897264        8.1242136820        6.7966631664
  H         8.0361697920       10.9075570475        9.0811516403
  H         5.3713352603       12.3354380441        6.0203466681
  H         2.8468899255       10.5855756762        2.7485275950
  H         0.5704089039       13.9746197832        4.0258669468
  H         3.1522332420       11.9099910356        6.8269263648
  F         9.9764860817        8.3844203494       18.4779304416
  C        11.2676584243        8.6575345103       18.8606746145
  F        11.9399195931        7.4749007601       18.8318897326
  F        11.2199236692        9.0215095362       20.1806242012
  C        11.8473310150        9.7452383035       18.0143639968
  C        11.3800312060       11.0483742311       18.2055465519
  C        11.8613961442       12.0251955931       17.3323860681
  C        12.7408120148       11.6991482222       16.2901237982
  C        13.2436857676       10.4033567872       16.1051601808
  C        12.7740268723        9.4382448586       17.0153135867
  B        14.1524106451        9.9819155377       14.8061825610
  C        15.1695233391       11.1737975785       14.3539274481
  C        15.8036382124       12.0031615643       15.2905779652
  C        16.7066130612       12.9895060046       14.8725585541
  C        17.0787914002       13.1148662846       13.5309973628
  C        16.4982460148       12.2622234273       12.5840415446
  C        15.5443601991       11.3243831182       13.0035976816
  C        16.8308167947       12.3896376059       11.1047231799
  F        17.8395658839       13.2721684355       10.8467656362
  F        15.7485156835       12.8179144701       10.3457295969
  F        17.2269386819       11.1953427191       10.5506773683
  C        17.2424906780       13.9399759519       15.9007807187
  F        16.2470480559       14.6767264710       16.4892517453
  F        18.1446048349       14.8402003382       15.3939308731
  F        17.8440749750       13.2596404112       16.9333674486
  C        13.0817698627        9.6127930013       13.5851325947
  C        12.4842868814       10.6512842313       12.8327329199
  C        11.5025582734       10.4185237204       11.8529001831
  C        11.0152280263        9.1250858992       11.6359379013
  C        11.6113916932        8.0786989202       12.3463219724
  C        12.6389003954        8.3083280657       13.2681608062
  C        11.0241358793        6.7031801004       12.2167800544
  F        10.4906985302        6.4955715391       10.9844734860
  F        11.9214089321        5.6953121363       12.4571405184
  F        10.0084963568        6.5018832981       13.1248347495
  C        10.9185310528       11.5337245386       11.0199199608
  F         9.7412391534       11.1801698732       10.4116438283
  F        10.6276953553       12.6598621379       11.7336748168
  F        11.7508855613       11.8915447967        9.9846233382
  C        15.1852571710        8.7596206586       15.0960541524
  C        15.8597138573        8.6010275490       16.3179124906
  C        16.7869336320        7.5717653890       16.4820132822
  C        17.0872353189        6.6940861550       15.4421135882
  C        16.4757302227        6.8592838064       14.2098213495
  C        15.5442090662        7.8997142655       14.0430217338
  C        17.4657756766        7.2510904793       17.7715663353
  F        17.6170933660        8.3226859205       18.6145180695
  F        16.7966402413        6.2696871793       18.4682255360
  F        18.7147229110        6.7365183358       17.5244735850
  C        11.3835822050       13.4377289598       17.4355294191
  F        10.7834104457       13.6761460818       18.6284141192
  F        10.4788664419       13.7375425037       16.4284649883
  F        12.4013293480       14.3425466904       17.3017523581
  F        17.6277524623        4.8869718475       13.4765031928
  F        17.3735148498        6.5354035359       12.0160563983
  F        15.6557727606        5.2778808449       12.6023819067
  C        16.7856097378        5.9010341710       13.0829896786
  H        10.6484620249       11.2873938612       18.9784063603
  H        12.9764149695       12.4863387603       15.5755839903
  H        13.1192131644        8.4156111089       16.9279971279
  H        15.6140204442       11.8610338685       16.3563457185
  H        17.7963023875       13.8757803031       13.2452758335
  H        15.0660696432       10.6895719834       12.2590698810
  H        12.7855198033       11.6741883719       13.0613984003
  H        10.1511617494        8.9417104743       11.0009301020
  H        13.0540050059        7.4240185916       13.7565758306
  H        15.6846062925        9.3090210770       17.1231517835
  H        17.7956005940        5.8968750953       15.6307559402
  H        15.0755640338        8.0578304051       13.0731028766
  F         2.7273153584       18.6287754290       20.1122463291
  C         2.6902302176       18.2910211257       18.7833715517
  F         1.3647540254       18.0132098100       18.4929825817
  F         3.3572062825       17.0982832332       18.6384072771
  C         3.2766844653       19.3903749876       17.9345297495
  C         4.1174100701       19.0549287908       16.8611548955
  C         4.6663220104       20.0148207634       15.9779974559
  C         4.2645793371       21.3367618158       16.2130870626
  C         3.4567478982       21.6770380486       17.3009596956
  C         2.9682112029       20.7302421276       18.1926789112
  C         2.9277744398       23.0610848967       17.4395699104
  F         2.3007809622       23.2897582696       18.6327154172
  F         3.9064206797       24.0085776033       17.3159082170
  F         1.9903116832       23.2907365450       16.4441374335
  B         5.6085095205       19.6308592457       14.6765593220
  C         6.6832599166       18.4507266200       14.9808164915
  C         7.3127125051       18.3290734782       16.2321359440
  C         8.2591794101       17.3336493590       16.4801680338
  C         8.6177270186       16.4259539738       15.4903952955
  C         8.0279370273       16.5483174234       14.2307419305
  C         7.1097812384       17.5807759655       13.9632430646
  C         8.4062049336       15.5932065843       13.1388750340
  F         7.3067464747       15.0314511775       12.5423846105
  F         9.2079275072       14.5674652083       13.5675580080
  F         9.1078849303       16.2378477616       12.1574040377
  C         8.7891223641       17.1634653129       17.8667938868
  F         8.9147331887       18.3739853846       18.4899640224
  F        10.0166025276       16.5645108205       17.8934685548
  F         7.9711246674       16.3947681957       18.6827700130
  C         6.6419201217       20.8222269043       14.2752738439
  C         7.2149762720       21.6536078339       15.2491347379
  C         8.1770235844       22.6097000843       14.9074257084
  C         8.6092874035       22.7612303259       13.5842133665
  C         8.0320498120       21.9517809810       12.6017776638
  C         7.0872133582       20.9838904148       12.9572462505
  C         8.3861232386       22.1089583478       11.1473544345
  F         8.8142828969       20.9005289076       10.6320747827
  F         9.3655448475       23.0324841341       10.9298061233
  F         7.3188707648       22.5086107071       10.3605405360
  C         8.6796475809       23.5749592334       15.9394705876
  F         9.5849000631       24.4613548967       15.4152977089
  F         7.6896949857       24.3508393921       16.5025046082
  F         9.2781604710       22.8888079625       16.9719786033
  C         4.5628678697       19.2487692354       13.4638750347
  C         4.0685154489       17.9452880887       13.2637318401
  C         3.0979356889       17.6804836225       12.2867026974
  C         2.5860242228       18.6830775654       11.4717012625
  C         3.0123143994       20.0014281760       11.6867352210
  C         3.9979823649       20.2584792294       12.6528782371
  C         2.3910224126       21.1202192989       10.8831779285
  F         2.3616188174       20.7819215304        9.5437217269
  F         1.0827462696       21.3926997027       11.2331620323
  F         3.0328365452       22.3176610570       11.0069832857
  C         2.5048147520       16.3047259836       12.1747202122
  F         1.9276735999       16.0497640718       10.9591076950
  F         3.4234382468       15.3149203027       12.3986677600
  F         1.5204475321       16.1207844045       13.1301500577
  H         4.3471753575       18.0004178226       16.7348362693
  H         4.5610978515       22.1029304213       15.5010223942
  H         2.3373350311       21.0863355288       19.0025328163
  H         7.0566393497       18.9982743694       17.0490480095
  H         9.3416782124       15.6536447801       15.7293134195
  H         6.7020714360       17.7489936906       12.9603363092
  H         6.8424077467       21.5947069316       16.2709206100
  H         9.3273943733       23.5426935764       13.3543725555
  H         6.6584683504       20.3489358785       12.1859475751
  H         4.4323380292       17.1002382425       13.8503636509
  H         1.9045526705       18.3586549007       10.6878162839
  H         4.3579635199       21.2777170069       12.7647725284
  F        15.6713304260        1.2831091881       -0.3064167785
  C        15.7048704113        1.6416748445        1.0216632894
  F        17.0350029093        1.9039149435        1.3035562382
  F        15.0416264526        2.8285323435        1.1539470012
  C        15.1241396835        0.5779083911        1.9105604154
  C        14.3216334080        0.9301954148        3.0077801428
  C        13.8051486226       -0.0384084032        3.8972613595
  C        14.2255853225       -1.3605348050        3.6810753269
  C        15.0214163540       -1.7190598271        2.5790565586
  C        15.4446470054       -0.7619109700        1.6567272742
  C        15.4962007869       -3.1316728774        2.3821448453
  F        16.0953807159       -3.3641566056        1.1699456026
  F        14.4883849195       -4.0494657939        2.4841203269
  F        16.4176926317       -3.4469568505        3.3592527544
  B        12.8224979734        0.2539620030        5.1913453012
  C        11.7245986865        1.4361151980        4.9144366381
  C        11.1494194898        1.5173662671        3.6306730798
  C        10.1856517528        2.4888712590        3.3093527955
  C         9.7405495598        3.3859865803        4.2923149776
  C        10.2984528030        3.3176924981        5.5765765129
  C        11.2676485893        2.3503719081        5.8766232217
  C         9.9560146476        4.3022152944        6.6675084088
  F        11.0803608422        4.8732459188        7.2398740830
  F         9.1845738501        5.3411852273        6.2297260082
  F         9.2945347576        3.6840608483        7.6984451927
  C         9.6407352746        2.7144099316        1.9084875649
  F         9.4875943667        1.5375368761        1.2370901183
  F         8.4027334658        3.3394498450        1.9060144731
  F        10.4391458542        3.5206946813        1.1104038878
  C        11.8294519471       -1.0133865407        5.5547541448
  C        11.3031969995       -1.8992367102        4.5951535747
  C        10.3101443504       -2.8291815026        4.9155381351
  C         9.8290435202       -2.9862108800        6.2165172848
  C        10.3381944477       -2.1155953121        7.1888003314
  C        11.2971321944       -1.1533661238        6.8507804950
  C         9.9633002087       -2.1991893015        8.6437081438
  F         9.5858198797       -0.9757020044        9.1578579400
  F         8.9448412944       -3.0626782600        8.8700245793
  F        11.0140154501       -2.6039985769        9.4426484676
  C         9.7505706969       -3.7029717675        3.8389713610
  F         8.8104211908       -4.5643914914        4.3157106167
  F        10.7123402214       -4.4522030076        3.2148678182
  F         9.1323344920       -2.9635773475        2.8502688470
  C        13.8810561665        0.5845784542        6.3827353459
  C        14.3748949485        1.8865999063        6.5998545059
  C        15.3258993424        2.1894942237        7.5877317426
  C        15.8164954693        1.1661939944        8.4016345133
  C        15.3955861982       -0.1394434499        8.1365684315
  C        14.4652351739       -0.4433182587        7.1486152186
  C        16.0208107122       -1.2309813172        8.9281369837
  F        16.0422879657       -0.8741151203       10.2601918170
  F        17.3243036205       -1.4863002949        8.5664538161
  F        15.3702179455       -2.4173658921        8.7943206852
  C        15.9027074113        3.5807738247        7.6596538827
  F        16.4769627347        3.8670977839        8.8631083894
  F        14.9641948872        4.5412844726        7.4008468914
  F        16.8737002249        3.7873315561        6.6795445066
  H        14.0733832659        1.9844106296        3.1340206972
  H        13.8245092202       -2.1014882007        4.3739301070
  H        16.0054734539       -1.0752089675        0.7776931401
  H        11.5469862737        0.8145301306        2.8999060244
  H         9.0029902418        4.1200086216        3.9794490445
  H        11.7231063970        2.3584250662        6.8678301955
  H        11.6808696778       -1.9059350778        3.5739197014
  H         9.1583277836       -3.8171009058        6.4207769015
  H        11.6590357346       -0.5279967955        7.6643316206
  H        14.0107868074        2.6869065753        5.9548949183
  H        16.5476581220        1.3539968290        9.1814189663
  H        14.2090409186       -1.4909624539        6.9761449344
  H        10.7283268260       11.7983148983        4.8126476501
  H        12.1396646926       10.5638998966        3.4643321597
     646
 i =       24, E =         0.0355516497
 Rh         3.6166606045        0.2523728782        4.8260184692
  P         5.3666870168        0.6344144912        6.2762254662
  C         5.2939844895       -0.2896973201        7.8798703058
  C         4.7962923970       -1.7297050193        7.6365353691
  C         4.4890280048       -2.4218494624        8.9707267828
  C         5.6770677734       -2.2665925353        9.9343672159
  C         6.1806659813       -0.8324988517       10.1507135653
  C         6.5211027703       -0.1667813243        8.8143074846
  C         5.6516296396        2.3916303547        6.7790004971
  C         4.6746189601        2.8060495892        7.9090497372
  C         4.6587812049        4.3213276099        8.1648275078
  C         4.5462405211        5.1219787971        6.8692524216
  C         5.7221534368        4.7953076418        5.9536554090
  C         5.5801040010        3.3232474132        5.5412206382
  C         6.9770665070        0.0929907958        5.4754368056
  C         6.9203304813        0.2241000516        3.9520184671
  P         5.2962542480       -0.2506962027        3.2606365532
  C         5.4997690866       -2.0371884715        2.7418512477
  C         4.3468324811       -2.4555763535        1.8068127142
  C         4.3821416986       -3.9503538429        1.4651977119
  C         4.2378189233       -4.7696510049        2.7597899875
  C         5.3902323133       -4.4256031978        3.7204775729
  C         5.4524480544       -2.9030166263        4.0189316824
  C         5.2051514195        0.7217818557        1.6986060701
  C         4.8925260068        2.2321234802        1.9385641466
  C         4.3963721465        2.8345026620        0.6100109834
  C         5.4605868965        2.6350950104       -0.4755227555
  C         5.9167975298        1.1847144012       -0.6616010854
  C         6.3673679405        0.5624681462        0.6730005313
  C         1.9065301757        0.2773589809        3.4655794591
  C         1.9033879318       -0.9693715182        4.0974345382
  C         1.0557025734       -0.8175414192        5.3649412026
  C         1.8989445099        0.1460144905        6.2360217531
  C         1.8626765770        1.3958410339        5.6138455757
  C         1.0258871106        1.2068362368        4.3277506483
  C        -0.0198585699        0.2095053253        4.9027650254
  H         4.4796168570        0.1946510919        8.4429300264
  H         5.5292456531       -2.3612987636        7.1134704542
  H         3.9258898558       -1.6790264097        6.9575618451
  H         4.3398501413       -3.4916834174        8.7609969753
  H         3.5690446706       -2.0524094204        9.4497979789
  H         5.4320970198       -2.7020129702       10.9081791908
  H         6.5185527145       -2.8491923890        9.5319625379
  H         7.0929354441       -0.8734120733       10.7676274549
  H         5.4659256035       -0.1946305693       10.6978859143
  H         6.7980637173        0.8827849933        9.0121695210
  H         7.4110334964       -0.6739912448        8.4234609592
  H         6.6775372997        2.3753654650        7.1860124195
  H         4.9551354547        2.2744372357        8.8331108401
  H         3.6520657808        2.5007990243        7.6441680822
  H         5.5797084311        4.6148694981        8.6885868878
  H         3.8119935222        4.6032969227        8.8060325647
  H         4.5122584711        6.1912549124        7.1019066034
  H         3.5923811190        4.8927598894        6.3612905910
  H         6.6598122369        4.9707526970        6.5055538819
  H         5.7477626716        5.4622307917        5.0805538384
  H         6.3345943912        3.0353369794        4.7960051641
  H         4.6006538473        3.2126252089        5.0379829205
  H         7.8123600570        0.7103387354        5.8220009398
  H         7.1517563399       -0.9374665475        5.8155188297
  H         7.7108379958       -0.3230212546        3.4172677578
  H         7.0238211183        1.2884460705        3.6877192822
  H         6.4896195177       -2.1462745397        2.2711435562
  H         4.2774691171       -1.8379794598        0.9013038456
  H         3.4322945745       -2.2792733052        2.3928689545
  H         5.3107627025       -4.1778037215        0.9185453290
  H         3.5777583759       -4.2166748713        0.7652734983
  H         4.1615384985       -5.8365218218        2.5016771535
  H         3.2759038655       -4.5320596380        3.2370250756
  H         5.3357031356       -4.9525799254        4.6861262181
  H         6.3027636633       -4.7618788350        3.2122381824
  H         6.3041473014       -2.6524471218        4.6654424660
  H         4.5637850256       -2.5603555601        4.5818490018
  H         4.3248442521        0.2236266660        1.2657147214
  H         5.8012194715        2.7492930405        2.2940935883
  H         4.1492776222        2.3926088918        2.7368734123
  H         4.2252682871        3.9220741914        0.6524658592
  H         3.4274249553        2.3600391276        0.3855375846
  H         6.2908282901        3.2720598147       -0.1299069850
  H         5.1083748574        3.0234971539       -1.4376755653
  H         6.6852857885        1.1062400143       -1.4513285408
  H         5.0693536913        0.5846083798       -1.0255397757
  H         7.2580471961        1.0904588279        1.0394755713
  H         6.6327972477       -0.4899838039        0.4995378209
  H         2.2706535142        0.5088245914        2.4687654474
  H         2.1908838023       -1.9246263216        3.6668408912
  H         0.7438646372       -1.7454979308        5.8518658735
  H         2.0831547405        0.0311171707        7.2954013755
  H         1.9795632974        2.3438425154        6.1470640359
  H         0.6787179018        2.1168020438        3.8293312198
  H        -0.5067847801        0.6520470996        5.7824525916
  H        -0.7519815119       -0.1505976377        4.1770152509
 Rh        14.7409729683       19.6517776961       14.9237035410
  P        12.9384570278       19.2144829513       13.4772207743
  C        13.0969218161       20.2149800776       11.9430129296
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  F         6.2864332726        7.7390290319        9.5341783109
  C         3.1870338076       11.1023194456        4.8181993195
  C         2.5973465630       11.2688139526        3.5542067934
  C         1.6778273931       12.2931889126        3.2945665316
  C         1.3025812392       13.2050473689        4.2686076933
  C         1.8446090563       13.0344982586        5.5425466453
  C         2.7467298905       11.9851994871        5.8162926714
  C         1.1033595351       12.3883416752        1.9230281234
  F         1.0007404635       11.1611194067        1.3240658885
  F         1.8769468430       13.1624622802        1.0999584229
  F        -0.1698874521       12.9040632031        1.9173208099
  C         6.8305224651        6.4215725833        2.2175206578
  F         7.6086357510        6.2416408614        1.1077945167
  F         7.4898994755        5.8847778748        3.3002973667
  F         5.7086092540        5.6337042451        2.0551626535
  F         0.7604562439       15.0354244934        6.2505608295
  F         0.9494908209       13.3789243361        7.7141844472
  F         2.7242112752       14.5646332110        7.1251924917
  C         1.5611061648       13.9996352779        6.6511335781
  H         7.8639925902        8.6568298564        0.9812001277
  H         5.0690261247        7.3404245345        3.9665672024
  H         5.4413630061       11.5520851136        3.0185003361
  H         2.7333270900        7.9875953321        3.5758125494
  H         0.6357827021        5.9856266315        6.8282441913
  H         3.4552233673        9.2090092584        7.5555256829
  H         5.7209777460        8.1224109450        6.7968721589
  H         8.0366187486       10.9094260259        9.0810832312
  H         5.3649810103       12.3338134291        6.0253553522
  H         2.8447331724       10.5842562444        2.7498825322
  H         0.5715301775       13.9764664162        4.0242964415
  H         3.1460687718       11.9071529890        6.8295748877
  F         9.9766346048        8.3844702616       18.4779030673
  C        11.2676871867        8.6577349444       18.8610056680
  F        11.9400547164        7.4752020408       18.8317429134
  F        11.2201331574        9.0215130519       20.1810191752
  C        11.8466540719        9.7463957952       18.0158081280
  C        11.3779412188       11.0487685076       18.2060846103
  C        11.8599061512       12.0253928627       17.3332779046
  C        12.7390670809       11.6994092842       16.2904662414
  C        13.2432743436       10.4041395564       16.1064052945
  C        12.7752104114        9.4397406750       17.0181230265
  B        14.1520937983        9.9818272713       14.8076838473
  C        15.1694222405       11.1733742898       14.3558751738
  C        15.8055743171       12.0009174699       15.2929529221
  C        16.7070327503       12.9880154171       14.8736162312
  C        17.0780541718       13.1137337191       13.5319581376
  C        16.4969060005       12.2618502605       12.5846834525
  C        15.5425729957       11.3248662937       13.0051095059
  C        16.8295243539       12.3896567769       11.1048507202
  F        17.8377631731       13.2726152235       10.8463960958
  F        15.7477311929       12.8180896555       10.3453539793
  F        17.2263363334       11.1956922029       10.5502703408
  C        17.2426449598       13.9396287562       15.9008457442
  F        16.2470800358       14.6767765426       16.4888814454
  F        18.1444144571       14.8402600052       15.3934237348
  F        17.8443328076       13.2598623338       16.9333701471
  C        13.0826440715        9.6115175280       13.5851509415
  C        12.4843552189       10.6505280038       12.8335144983
  C        11.5023630147       10.4187305942       11.8538733229
  C        11.0131168177        9.1257639869       11.6380359933
  C        11.6115617337        8.0786223031       12.3455783996
  C        12.6414194657        8.3067789672       13.2649578717
  C        11.0239522048        6.7031845524       12.2162489255
  F        10.4904041847        6.4956178630       10.9841044652
  F        11.9213214996        5.6953524104       12.4568003999
  F        10.0084561714        6.5019893142       13.1246447352
  C        10.9184424583       11.5337966650       11.0202115463
  F         9.7411336957       11.1802977319       10.4117173070
  F        10.6274441835       12.6601689787       11.7336646019
  F        11.7505210059       11.8916378615        9.9847567979
  C        15.1856848320        8.7609069743       15.0979095941
  C        15.8612301950        8.6040324529       16.3187355643
  C        16.7881844506        7.5735332430       16.4821825829
  C        17.0870229187        6.6959842765       15.4423273064
  C        16.4761582476        6.8602456056       14.2105886755
  C        15.5439631185        7.9013001842       14.0443848677
  C        17.4666290504        7.2523555795       17.7713587248
  F        17.6175120340        8.3231387742       18.6146356997
  F        16.7971250990        6.2707252533       18.4673947156
  F        18.7155403566        6.7378316801       17.5239388443
  C        11.3832065805       13.4381737356       17.4357564425
  F        10.7832803475       13.6765544426       18.6285522787
  F        10.4787412447       13.7377123491       16.4283471265
  F        12.4012685912       14.3425483586       17.3016322789
  F        17.6276293328        4.8876259040       13.4762243638
  F        17.3733869081        6.5357454001       12.0156716239
  F        15.6556878521        5.2782879068       12.6021065914
  C        16.7855128328        5.9018099341       13.0828720504
  H        10.6446037237       11.2876300428       18.9776865479
  H        12.9721448148       12.4866476043       15.5751189557
  H        13.1224779653        8.4178562404       16.9332096702
  H        15.6190531584       11.8564203674       16.3589338153
  H        17.7959033072       13.8746035849       13.2468050975
  H        15.0619743534       10.6907135529       12.2615550020
  H        12.7858345086       11.6729818672       13.0639945187
  H        10.1456528640        8.9437401766       11.0072182966
  H        13.0589471438        7.4209828462       13.7489054328
  H        15.6885198976        9.3133190222       17.1231519897
  H        17.7955373567        5.8987123017       15.6320769805
  H        15.0747904112        8.0605122426       13.0749438805
  F         2.7274096397       18.6286406315       20.1135841052
  C         2.6904162336       18.2921120438       18.7845361601
  F         1.3651515765       18.0133983218       18.4935827808
  F         3.3572976710       17.0989186658       18.6388309969
  C         3.2774333469       19.3926613182       17.9365453500
  C         4.1174967788       19.0565032779       16.8628745230
  C         4.6665509157       20.0154924385       15.9783631859
  C         4.2645080365       21.3376357025       16.2122984506
  C         3.4592503802       21.6794412088       17.3010425439
  C         2.9711804061       20.7334090489       18.1947007746
  C         2.9290691907       23.0637402364       17.4397008128
  F         2.3009812350       23.2898425730       18.6329568950
  F         3.9048109877       24.0163973575       17.3159102124
  F         1.9904678767       23.2907338379       16.4447810962
  B         5.6089722409       19.6312567205       14.6767935055
  C         6.6857398066       18.4531435153       14.9807308397
  C         7.3158268022       18.3320231628       16.2317480536
  C         8.2612706714       17.3351771918       16.4794846886
  C         8.6181882229       16.4272398613       15.4898579611
  C         8.0292861497       16.5501595479       14.2300400514
  C         7.1126302659       17.5843308513       13.9623589512
  C         8.4062311743       15.5938663562       13.1385624199
  F         7.3065670245       15.0316678299       12.5426193238
  F         9.2076371855       14.5677806829       13.5675445269
  F         9.1076397934       16.2379439302       12.1567429944
  C         8.7899639353       17.1641105374       17.8663920248
  F         8.9149626915       18.3742067025       18.4901739519
  F        10.0169456761       16.5645577733       17.8934615015
  F         7.9716232257       16.3953712131       18.6819028473
  C         6.6425629347       20.8221680325       14.2761279436
  C         7.2153415554       21.6528848439       15.2505138402
  C         8.1787659793       22.6077442763       14.9094756200
  C         8.6122360901       22.7585965936       13.5862731354
  C         8.0339907436       21.9506266367       12.6031624897
  C         7.0885028947       20.9834519912       12.9583788199
  C         8.3863115947       22.1087323339       11.1482151932
  F         8.8139656657       20.9004816947       10.6321011106
  F         9.3651956527       23.0326030434       10.9299056621
  F         7.3182377548       22.5084357370       10.3625685672
  C         8.6801497861       23.5744640022       15.9412085302
  F         9.5846649805       24.4611359043       15.4158391356
  F         7.6895608690       24.3505513169       16.5025986674
  F         9.2782207103       22.8901462364       16.9766176480
  C         4.5644369519       19.2474569898       13.4636076162
  C         4.0706553958       17.9434635346       13.2643791131
  C         3.1004533272       17.6779852272       12.2867592935
  C         2.5889703443       18.6801544686       11.4710969856
  C         3.0135689312       19.9992709462       11.6859332116
  C         3.9998151691       20.2564065966       12.6518342076
  C         2.3912387429       21.1191789244       10.8834237180
  F         2.3611577146       20.7818057193        9.5438993266
  F         1.0827938515       21.3920681132       11.2339134095
  F         3.0324004144       22.3171615635       11.0075138508
  C         2.5056387577       16.3027125469       12.1754426699
  F         1.9272393314       16.0494148047       10.9604161166
  F         3.4231583399       15.3129853099       12.3987485940
  F         1.5205061627       16.1206345306       13.1307363703
  H         4.3460632647       18.0015515510       16.7375345225
  H         4.5593336242       22.1023249827       15.4980741912
  H         2.3425034017       21.0922531482       19.0050291850
  H         7.0614318264       19.0021368553       17.0484665686
  H         9.3411335038       15.6540326468       15.7291456739
  H         6.7061169109       17.7554744142       12.9593839467
  H         6.8406615741       21.5947348596       16.2715481728
  H         9.3316048957       23.5393666413       13.3578434296
  H         6.6590346753       20.3490629437       12.1872145679
  H         4.4345760693       17.0984037240       13.8510362271
  H         1.9096743323       18.3537103486       10.6858043645
  H         4.3610182158       21.2752609040       12.7622002061
  F        15.6704844804        1.2832860341       -0.3069486885
  C        15.7038459771        1.6418098116        1.0210100921
  F        17.0338841260        1.9042228178        1.3029903752
  F        15.0407479431        2.8288348844        1.1532424808
  C        15.1229741070        0.5783528054        1.9104681517
  C        14.3228069955        0.9319075038        3.0092631904
  C        13.8062460708       -0.0362739813        3.8994263039
  C        14.2269028575       -1.3584184862        3.6841446542
  C        15.0200332218       -1.7184585478        2.5806547140
  C        15.4406633317       -0.7622129663        1.6559079965
  C        15.4952006864       -3.1309980426        2.3824832351
  F        16.0937955715       -3.3627382433        1.1696718723
  F        14.4876628212       -4.0492483047        2.4837661250
  F        16.4171887319       -3.4466807242        3.3588325294
  B        12.8222580268        0.2529694178        5.1937401204
  C        11.7225367186        1.4337468183        4.9181298444
  C        11.1483051295        1.5130057710        3.6336907089
  C        10.1850494378        2.4847187112        3.3101210437
  C         9.7388830393        3.3821403631        4.2924885497
  C        10.2961706433        3.3158113357        5.5771936990
  C        11.2653159543        2.3491386955        5.8789521760
  C         9.9546399196        4.3018322593        6.6670609925
  F        11.0790676896        4.8731376727        7.2387002232
  F         9.1838181800        5.3412238570        6.2294280167
  F         9.2938258399        3.6842452352        7.6985536380
  C         9.6404873804        2.7131070235        1.9088017955
  F         9.4868532348        1.5372777295        1.2365396524
  F         8.4024619442        3.3393543808        1.9061268203
  F        10.4384406044        3.5203497805        1.1109426274
  C        11.8305167458       -1.0162374679        5.5553716324
  C        11.3061236600       -1.9029972048        4.5957326890
  C        10.3107420455       -2.8307706094        4.9150709422
  C         9.8278189640       -2.9879083592        6.2153418211
  C        10.3365247972       -2.1173808846        7.1880888234
  C        11.2958998135       -1.1555182559        6.8504059716
  C         9.9622025714       -2.1998878407        8.6432392477
  F         9.5856687156       -0.9758440917        9.1574267723
  F         8.9430889696       -3.0627063999        8.8699619284
  F        11.0135632402       -2.6039973844        9.4417870590
  C         9.7503715396       -3.7034635849        3.8384181974
  F         8.8098506016       -4.5644058159        4.3151736650
  F        10.7119199492       -4.4522750904        3.2141837232
  F         9.1319396180       -2.9634331889        2.8501762094
  C        13.8803093052        0.5831787858        6.3850555601
  C        14.3742581024        1.8854130217        6.6018072769
  C        15.3247478100        2.1893384029        7.5897535200
  C        15.8141334973        1.1661935680        8.4051683489
  C        15.3946917418       -0.1396480820        8.1382715708
  C        14.4657571572       -0.4446122869        7.1499908905
  C        16.0207396345       -1.2309728143        8.9285402474
  F        16.0423184286       -0.8740528283       10.2602831949
  F        17.3241061226       -1.4861007643        8.5659659320
  F        15.3701752280       -2.4173522635        8.7939923086
  C        15.9019001494        3.5807410048        7.6600909436
  F        16.4767738333        3.8674559144        8.8629407095
  F        14.9632869150        4.5412440902        7.4005784698
  F        16.8726116947        3.7873900351        6.6792836793
  H        14.0763516801        1.9868050679        3.1348864003
  H        13.8262576988       -2.0973304756        4.3795113508
  H        15.9967261895       -1.0774745423        0.7744954609
  H        11.5483075401        0.8083625627        2.9058062054
  H         9.0011450687        4.1147529015        3.9770314165
  H        11.7209584019        2.3598813260        6.8701097943
  H        11.6872312372       -1.9131460278        3.5757444997
  H         9.1576975555       -3.8197690266        6.4175669601
  H        11.6564698614       -0.5305582052        7.6647882002
  H        14.0106242230        2.6849341275        5.9554326349
  H        16.5431710600        1.3536002405        9.1869631448
  H        14.2121598236       -1.4928166709        6.9761788867
  H        10.7243053800       11.8022448504        4.8057917114
  H        12.1233532986       10.5536888440        3.4677603951
     646
 i =       25, E =         0.0352782016
 Rh         3.6149481340        0.2521360711        4.8258635926
  P         5.3651698521        0.6332937678        6.2753048704
  C         5.2961645431       -0.2885512998        7.8805435450
  C         4.7948745075       -1.7275121254        7.6385604197
  C         4.4885799882       -2.4191223670        8.9732278874
  C         5.6765085951       -2.2605155368        9.9366395769
  C         6.1817862676       -0.8267812582       10.1519154965
  C         6.5239708677       -0.1640719877        8.8144522729
  C         5.6508205688        2.3902601760        6.7776384382
  C         4.6748485906        2.8038949813        7.9092476861
  C         4.6542111123        4.3195255885        8.1634628599
  C         4.5444036094        5.1191898948        6.8669939574
  C         5.7249575514        4.7939876827        5.9565393148
  C         5.5796796832        3.3230043248        5.5406903321
  C         6.9756483396        0.0913517685        5.4740397956
  C         6.9182460372        0.2228047790        3.9509503224
  P         5.2948307119       -0.2506570061        3.2590050346
  C         5.4979707867       -2.0372202923        2.7390110835
  C         4.3441864032       -2.4557533447        1.8050649683
  C         4.3829679660       -3.9496324865        1.4594163910
  C         4.2347537704       -4.7701309250        2.7530279882
  C         5.3841711327       -4.4259821175        3.7176177598
  C         5.4472357005       -2.9030882067        4.0159811914
  C         5.2101224224        0.7233035900        1.6974750968
  C         4.8979935961        2.2342716328        1.9369969902
  C         4.3974408260        2.8335368336        0.6084708651
  C         5.4595831136        2.6323233146       -0.4788070855
  C         5.9194669509        1.1828396522       -0.6627804568
  C         6.3738839959        0.5647182781        0.6726495611
  C         1.9059406866        0.2780090287        3.4646423483
  C         1.9034994203       -0.9702240219        4.0936125106
  C         1.0551293450       -0.8223961256        5.3607187283
  C         1.8967087262        0.1406336283        6.2344038790
  C         1.8585125953        1.3922515671        5.6154595132
  C         1.0230044361        1.2043556710        4.3279006544
  C        -0.0216019831        0.2051844738        4.9021487013
  H         4.4834516529        0.1965304141        8.4452142705
  H         5.5240102723       -2.3619941382        7.1138502866
  H         3.9234893178       -1.6732840636        6.9612445746
  H         4.3437317484       -3.4896265597        8.7635762638
  H         3.5668471360       -2.0534642013        9.4518903621
  H         5.4326721662       -2.6953365402       10.9109065742
  H         6.5182043928       -2.8423046807        9.5336687119
  H         7.0942023444       -0.8696139615       10.7686243771
  H         5.4691918613       -0.1859846867       10.6985969881
  H         6.8009857494        0.8858624093        9.0108228118
  H         7.4146039391       -0.6722064751        8.4265114130
  H         6.6770185831        2.3720915676        7.1836461299
  H         4.9595073316        2.2742922459        8.8332295886
  H         3.6526997853        2.4946787329        7.6474225429
  H         5.5724660179        4.6160176927        8.6901912736
  H         3.8043418362        4.6004067831        8.8010986928
  H         4.5061460872        6.1884040188        7.0989311214
  H         3.5932702558        4.8865504320        6.3551706320
  H         6.6597216204        4.9650010129        6.5148754443
  H         5.7578522446        5.4639891586        5.0859429086
  H         6.3316991360        3.0338138827        4.7936239776
  H         4.5989433544        3.2162335821        5.0391190714
  H         7.8109429713        0.7093462055        5.8190378973
  H         7.1504852514       -0.9387140058        5.8147561084
  H         7.7083919263       -0.3227528169        3.4142064076
  H         7.0198087075        1.2875627074        3.6877837619
  H         6.4882478223       -2.1471230474        2.2695242511
  H         4.2675469106       -1.8346646961        0.9025865391
  H         3.4320036120       -2.2859457203        2.3968574434
  H         5.3134714111       -4.1747792977        0.9150400939
  H         3.5812425202       -4.2162703977        0.7565378083
  H         4.1586603789       -5.8368018701        2.4942673665
  H         3.2709662086       -4.5325536293        3.2265565501
  H         5.3268976891       -4.9523542039        4.6833576767
  H         6.2976171169       -4.7632621854        3.2120240508
  H         6.2969994876       -2.6530341525        4.6649327028
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  C         1.3288034453        6.7383668991        6.4390138944
  C         1.9435587921        7.6324194901        7.3358447551
  C         2.9036954758        8.5525586571        6.8860318380
  C         1.6044253643        7.5478931411        8.8051665651
  F         0.6244656084        6.6454286221        9.0955829109
  F         2.6881376003        7.1632759143        9.5474736749
  F         1.1742310550        8.7396429140        9.3221039254
  C         1.1808257723        5.9664898501        3.9787235375
  F         2.2278111564        5.2462522412        3.4503649815
  F         0.2370064907        5.0590891070        4.3403012486
  F         0.6618387137        6.7199858975        2.9387852088
  C         5.3675492645       10.1913698758        6.2195223301
  C         5.9913308911        9.1628326054        6.9405549112
  C         6.9288240464        9.3965559662        7.9466109607
  C         7.3578462053       10.6866466757        8.2613305495
  C         6.8194143419       11.7319428904        7.4924421929
  C         5.8280476514       11.4844241826        6.5259177900
  C         7.3191160484       13.1419528200        7.6967572339
  F         7.8351233024       13.3466784987        8.9459226092
  F         6.3408978184       14.0807458836        7.4869892027
  F         8.3248456548       13.4830885749        6.8167300667
  C         7.2915147553        8.1380886198        8.6702131041
  F         8.4403675565        8.2275173486        9.3909091440
  F         7.4226335685        7.0992937432        7.7829238654
  F         6.2863157178        7.7393259909        9.5342128210
  C         3.1850789951       11.1009634882        4.8194695106
  C         2.5954404110       11.2683154507        3.5552893786
  C         1.6776179226       12.2925046098        3.2946988492
  C         1.3022390887       13.2063664136        4.2685438547
  C         1.8429769661       13.0339332706        5.5433463192
  C         2.7428542642       11.9837805807        5.8178913470
  C         1.1030090554       12.3884914672        1.9234876875
  F         1.0002551502       11.1611679286        1.3244658418
  F         1.8764667222       13.1624901645        1.1003255201
  F        -0.1704092503       12.9040998945        1.9177497708
  C         6.8308378201        6.4223829475        2.2177530644
  F         7.6082463675        6.2419151493        1.1077610827
  F         7.4895335955        5.8848268628        3.3004113957
  F         5.7082574718        5.6346197024        2.0553742725
  F         0.7590138231       15.0354651300        6.2513153757
  F         0.9486787465       13.3788940587        7.7149849724
  F         2.7225499376       14.5646785230        7.1256375077
  C         1.5597743250       13.9995604688        6.6515275486
  H         7.8748929248        8.6606839991        0.9902959742
  H         5.0649522003        7.3409357479        3.9607414174
  H         5.4395172297       11.5530269631        3.0157500284
  H         2.7266825969        7.9899303637        3.5742743882
  H         0.6362856578        5.9861779154        6.8313248785
  H         3.4622732264        9.2058138829        7.5528545356
  H         5.7263907145        8.1206198526        6.7969642665
  H         8.0370617658       10.9112211605        9.0809541773
  H         5.3586749347       12.3322426016        6.0303356894
  H         2.8425929023       10.5829531964        2.7512615675
  H         0.5727216632       13.9782591113        4.0227668642
  H         3.1399134398       11.9042681479        6.8321482260
  F         9.9768062118        8.3845219726       18.4778805077
  C        11.2676633398        8.6579870645       18.8613599547
  F        11.9401956412        7.4755197846       18.8315937021
  F        11.2203468167        9.0215134187       20.1814376928
  C        11.8462484314        9.7471955242       18.0170399963
  C        11.3756853805       11.0493171092       18.2067701676
  C        11.8585800070       12.0256867248       17.3338933361
  C        12.7372179072       11.6997257759       16.2908849981
  C        13.2428391872       10.4047983154       16.1076943636
  C        12.7762751381        9.4413804943       17.0209909913
  B        14.1517171683        9.9818543559       14.8090882131
  C        15.1694055423       11.1730729487       14.3578795080
  C        15.8074106692       11.9985718381       15.2951046112
  C        16.7074245453       12.9865419950       14.8748257398
  C        17.0774059200       13.1126989890       13.5328026644
  C        16.4956178138       12.2614965868       12.5851957759
  C        15.5407147914       11.3253045802       13.0066938729
  C        16.8282876230       12.3896850226       11.1049535698
  F        17.8358314018       13.2730900718       10.8460310688
  F        15.7469840977       12.8182440523       10.3450001135
  F        17.2257534733       11.1960355181       10.5498959533
  C        17.2428089046       13.9393717624       15.9008924465
  F        16.2471311983       14.6767880598       16.4884880000
  F        18.1442047764       14.8402929140       15.3929224104
  F        17.8445857617       13.2600729417       16.9333545122
  C        13.0834178194        9.6102317990       13.5850847669
  C        12.4845727908       10.6497203939       12.8344896739
  C        11.5019888247       10.4189213021       11.8547160377
  C        11.0110247568        9.1264376176       11.6401740830
  C        11.6115576627        8.0785039327       12.3447290831
  C        12.6440677492        8.3054322043       13.2619183102
  C        11.0237540341        6.7031259912       12.2157471057
  F        10.4901142559        6.4956830408       10.9837405176
  F        11.9212180597        5.6954203168       12.4564537897
  F        10.0084296026        6.5021145289       13.1244424867
  C        10.9183215726       11.5339322470       11.0204946808
  F         9.7410266601       11.1804097113       10.4117932574
  F        10.6271978405       12.6604428852       11.7336377436
  F        11.7501500630       11.8917127039        9.9849051931
  C        15.1860151940        8.7622073153       15.0995862023
  C        15.8632654851        8.6065087185       16.3197789557
  C        16.7889394379        7.5759479308       16.4824514339
  C        17.0873189738        6.6974583592       15.4430156403
  C        16.4759561889        6.8615983902       14.2105864501
  C        15.5440267877        7.9025448031       14.0457855027
  C        17.4674725682        7.2535302274       17.7709504104
  F        17.6179161631        8.3236760881       18.6147738898
  F        16.7976196004        6.2718149155       18.4665920332
  F        18.7164891012        6.7393314250       17.5234151756
  C        11.3828277362       13.4385709386       17.4360220350
  F        10.7831467953       13.6769812101       18.6286794658
  F        10.4786215948       13.7378840897       16.4282258516
  F        12.4011979086       14.3425380299       17.3015047308
  F        17.6274902959        4.8882885009       13.4759151894
  F        17.3732126973        6.5360821143       12.0153175270
  F        15.6556190799        5.2787356773       12.6018457768
  C        16.7855095757        5.9025372115       13.0828717075
  H        10.6408150551       11.2878515061       18.9769244566
  H        12.9679329306       12.4869361441       15.5746532465
  H        13.1257625868        8.4200636165       16.9384180764
  H        15.6240473198       11.8518672296       16.3614834829
  H        17.7954881160       13.8734402084       13.2482887245
  H        15.0578796737       10.6918398741       12.2639440047
  H        12.7861244473       11.6718389305       13.0665432643
  H        10.1401966136        8.9457427670       11.0134725750
  H        13.0638883632        7.4179624458       13.7413000904
  H        15.6923992782        9.3175942053       17.1231747218
  H        17.7954009856        5.9005799651       15.6333230586
  H        15.0740609569        8.0631614472       13.0767655797
  F         2.7275084365       18.6285144377       20.1149801138
  C         2.6906114442       18.2931496883       18.7857262312
  F         1.3655744120       18.0136161730       18.4941973905
  F         3.3573781719       17.0996120601       18.6392689806
  C         3.2780978362       19.3950902503       17.9386494456
  C         4.1177493195       19.0581255318       16.8643619897
  C         4.6666928653       20.0161308697       15.9788006499
  C         4.2645789883       21.3384424574       16.2113657061
  C         3.4616987431       21.6819846371       17.3014379216
  C         2.9742748678       20.7367132205       18.1965493287
  C         2.9303941850       23.0665942222       17.4397481711
  F         2.3012370730       23.2899796980       18.6331836589
  F         3.9035485042       24.0227896219       17.3155520305
  F         1.9906141568       23.2907547122       16.4454340962
  B         5.6094130551       19.6317370677       14.6770978118
  C         6.6881882548       18.4555731035       14.9806914287
  C         7.3190453452       18.3348023115       16.2313854272
  C         8.2631317042       17.3370113328       16.4789384242
  C         8.6187824150       16.4283208821       15.4893026608
  C         8.0304643675       16.5521265096       14.2291673091
  C         7.1156029234       17.5877003568       13.9615012136
  C         8.4062855211       15.5945317618       13.1383180900
  F         7.3063742528       15.0318899258       12.5428435173
  F         9.2073463457       14.5680914671       13.5675117552
  F         9.1073798173       16.2380438071       12.1560280434
  C         8.7908100079       17.1647217051       17.8659419471
  F         8.9151897498       18.3744379288       18.4903684459
  F        10.0173106111       16.5646098971       17.8934658724
  F         7.9721386177       16.3960165690       18.6809822671
  C         6.6431774473       20.8221500213       14.2769203551
  C         7.2156782119       21.6521880718       15.2518660396
  C         8.1805854135       22.6058012982       14.9116212017
  C         8.6152097047       22.7560437070       13.5884330808
  C         8.0359237380       21.9494655999       12.6045112830
  C         7.0897377924       20.9830312213       12.9596018618
  C         8.3865219691       22.1085146860       11.1491045011
  F         8.8136393766       20.9004451781       10.6321361614
  F         9.3648411904       23.0327158272       10.9300014932
  F         7.3175198346       22.5082535205       10.3649602763
  C         8.6806926147       23.5739413156       15.9431503862
  F         9.5844321554       24.4608653735       15.4164683621
  F         7.6894112942       24.3502706353       16.5026879862
  F         9.2781508687       22.8916236553       16.9822328236
  C         4.5660246904       19.2460656465       13.4633780168
  C         4.0726894738       17.9416147582       13.2649035883
  C         3.1030552977       17.6755916528       12.2870242578
  C         2.5917896837       18.6774373835       11.4703025168
  C         3.0149517102       19.9971976145       11.6852342106
  C         4.0014514352       20.2543716126       12.6506114158
  C         2.3914771318       21.1180261831       10.8837319797
  F         2.3606919836       20.7816935161        9.5440658474
  F         1.0828495860       21.3913929747       11.2346750772
  F         3.0319589327       22.3166353014       11.0080468760
  C         2.5062989561       16.3011812457       12.1761657177
  F         1.9267988935       16.0490148792       10.9617883863
  F         3.4231079491       15.3115907450       12.3990581362
  F         1.5205654173       16.1204958341       13.1312999436
  H         4.3449910988       18.0026867267       16.7401872021
  H         4.5575785279       22.1017472914       15.4951336404
  H         2.3476769811       21.0980544899       19.0075331411
  H         7.0662054758       19.0059705884       17.0478490819
  H         9.3405610501       15.6544078608       15.7289572408
  H         6.7101729417       17.7618661560       12.9584282967
  H         6.8389545659       21.5947920847       16.2721651741
  H         9.3358256319       23.5360257863       13.3612489844
  H         6.6596076482       20.3491953581       12.1884371323
  H         4.4368301228       17.0966097725       13.8517433944
  H         1.9147890925       18.3488563556       10.6838629638
  H         4.3640234892       21.2728049409       12.7596502646
  F        15.6696270854        1.2834528833       -0.3074815399
  C        15.7027834660        1.6419536041        1.0203637280
  F        17.0327333462        1.9045338578        1.3024359470
  F        15.0398289000        2.8291615142        1.1525087217
  C        15.1218116999        0.5786834939        1.9103497277
  C        14.3239369960        0.9336276807        3.0107506426
  C        13.8072717653       -0.0341654354        3.9016068187
  C        14.2281916061       -1.3563857233        3.6872247916
  C        15.0187016818       -1.7177964179        2.5821317093
  C        15.4366208404       -0.7624753211        1.6551730606
  C        15.4941305671       -3.1303161059        2.3828178206
  F        16.0920312395       -3.3611391877        1.1693764404
  F        14.4869324739       -4.0490259272        2.4834256959
  F        16.4167008883       -3.4464087756        3.3584202930
  B        12.8220222248        0.2519811550        5.1961483079
  C        11.7204958500        1.4313659832        4.9217283894
  C        11.1471921008        1.5086813009        3.6366689673
  C        10.1843946864        2.4806907734        3.3109277822
  C         9.7372967029        3.3782883922        4.2927217591
  C        10.2938311357        3.3139847353        5.5776927067
  C        11.2630288921        2.3479145106        5.8812971891
  C         9.9532351849        4.3014290588        6.6665981578
  F        11.0777179514        4.8730475211        7.2374560110
  F         9.1830233804        5.3412536732        6.2291191370
  F         9.2930839954        3.6844282188        7.6986742720
  C         9.6402108926        2.7117885291        1.9091290890
  F         9.4861003760        1.5370267854        1.2359877335
  F         8.4021932747        3.3392495369        1.9062402798
  F        10.4377362876        3.5199946381        1.1114938642
  C        11.8316128698       -1.0190526562        5.5559988336
  C        11.3089988154       -1.9068377328        4.5962922975
  C        10.3113443177       -2.8323738888        4.9146881418
  C         9.8266703961       -2.9895402710        6.2141829616
  C        10.3348842390       -2.1191817012        7.1873436433
  C        11.2946455174       -1.1576961314        6.8501418180
  C         9.9610534734       -2.2005841354        8.6427493412
  F         9.5855117644       -0.9759924703        9.1570047739
  F         8.9410777659       -3.0626828232        8.8698948661
  F        11.0130755819       -2.6040216275        9.4408955122
  C         9.7501827870       -3.7039229756        3.8378908361
  F         8.8092588035       -4.5644388961        4.3146327054
  F        10.7114968400       -4.4523679021        3.2134829900
  F         9.1315491684       -2.9632968161        2.8501000451
  C        13.8795837269        0.5818113234        6.3873666973
  C        14.3735268120        1.8841880407        6.6036491227
  C        15.3237084268        2.1890773013        7.5919072342
  C        15.8116947389        1.1662386201        8.4085417135
  C        15.3939835209       -0.1397184293        8.1401284906
  C        14.4661078705       -0.4459193295        7.1511773040
  C        16.0206564901       -1.2310639535        8.9289514542
  F        16.0423405386       -0.8739691159       10.2603587415
  F        17.3239050763       -1.4858882572        8.5654913177
  F        15.3701445311       -2.4173134943        8.7936802810
  C        15.9010464806        3.5807626986        7.6604932998
  F        16.4765867067        3.8678105450        8.8627890144
  F        14.9623010387        4.5412023541        7.4003241231
  F        16.8714728128        3.7874557559        6.6790155685
  H        14.0792910622        1.9891861647        3.1358209614
  H        13.8281123174       -2.0932427651        4.3850510846
  H        15.9880073148       -1.0796725785        0.7713289834
  H        11.5495073878        0.8022580789        2.9116447876
  H         8.9992889804        4.1095604700        3.9747383471
  H        11.7188089185        2.3612843714        6.8723730478
  H        11.6935539661       -1.9203215147        3.5776247831
  H         9.1570310017       -3.8223373522        6.4144460631
  H        11.6539340646       -0.5330757718        7.6652017720
  H        14.0104355357        2.6830039179        5.9559820389
  H        16.5387227651        1.3532485860        9.1925309372
  H        14.2152460755       -1.4946239046        6.9762461857
  H        10.7203030590       11.8062240660        4.7989957720
  H        12.1061652054       10.5429055973        3.4711940479
     646
 i =       26, E =         0.0359646204
 Rh         3.6132634939        0.2518597334        4.8257219479
  P         5.3636133593        0.6321688997        6.2743524221
  C         5.2983018848       -0.2873886237        7.8811928593
  C         4.7934809932       -1.7253107099        7.6406306657
  C         4.4881693171       -2.4163857559        8.9757708610
  C         5.6759705212       -2.2544454139        9.9389482889
  C         6.1829135854       -0.8210628406       10.1531063047
  C         6.5267996776       -0.1613665830        8.8145694198
  C         5.6500353864        2.3888791814        6.7762792885
  C         4.6750785589        2.8017466905        7.9094257840
  C         4.6496039005        4.3177279123        8.1621022149
  C         4.5425595963        5.1164272870        6.8647364746
  C         5.7277643268        4.7926642708        5.9594436847
  C         5.5792823370        3.3227531434        5.5401820759
  C         6.9742468596        0.0897348568        5.4726650875
  C         6.9161856307        0.2215258540        3.9499148317
  P         5.2933659426       -0.2505816805        3.2574421875
  C         5.4961049567       -2.0372258536        2.7362123355
  C         4.3415259811       -2.4559131068        1.8033124914
  C         4.3837767944       -3.9488854083        1.4536473543
  C         4.2317059758       -4.7705931312        2.7462480292
  C         5.3780943141       -4.4263694518        3.7147331765
  C         5.4420035676       -2.9031845742        4.0130181818
  C         5.2150712190        0.7248104161        1.6963503923
  C         4.9034738434        2.2363915583        1.9354068763
  C         4.3985439067        2.8325649800        0.6069346094
  C         5.4585880716        2.6295343216       -0.4821168765
  C         5.9221320176        1.1809413586       -0.6639436265
  C         6.3803699124        0.5669678659        0.6723186730
  C         1.9053450329        0.2786964909        3.4637377979
  C         1.9036519101       -0.9710352584        4.0898197544
  C         1.0545540317       -0.8272247761        5.3565031403
  C         1.8945349588        0.1352252519        6.2327961957
  C         1.8544179613        1.3886257527        5.6170760136
  C         1.0201090434        1.2018945441        4.3280795308
  C        -0.0233591960        0.2008549410        4.9015389566
  H         4.4872497664        0.1984500283        8.4474312640
  H         5.5188069874       -2.3625894927        7.1142354286
  H         3.9210883049       -1.6676011575        6.9650179720
  H         4.3475914566       -3.4875456560        8.7662496117
  H         3.5647145514       -2.0544579248        9.4539745821
  H         5.4332471932       -2.6886571762       10.9136940349
  H         6.5178698422       -2.8354573717        9.5354624068
  H         7.0954585410       -0.8657515420       10.7696401787
  H         5.4724273512       -0.1773756338       10.6992726152
  H         6.8038956884        0.8889160570        9.0094033050
  H         7.4180908354       -0.6704152387        8.4294770584
  H         6.6765041584        2.3689071805        7.1812849949
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  H        16.2448594782        9.0756517083        8.1694147992
  H        15.5282918208       10.5135014646        8.8462621072
  H        10.6398319478       10.0709801732        2.5307359719
  H        11.1310319772        9.1723731666        7.2222179058
  H         9.2498729620       10.5370918716        6.6161765008
  H         8.0421727290        9.6032679566        4.3400699019
  H         8.2742808342        8.2012499961        5.3524853232
  H         9.9188780179        7.8801709679        3.2525793984
  H         9.1168707537       11.3212293443        4.1816620411
  H        11.5277947500        7.2189607218        5.1870976300
  F         8.4559351549       11.6049200118        1.4587377700
  C         7.2072436246       11.2440762555        1.0379855289
  F         6.4686780030       12.3811653635        1.0265490397
  F         7.3219951245       10.8336881110       -0.2846003456
  C         6.6342648563       10.1780316501        1.9050175431
  C         7.1043782852        8.8779242666        1.7215308328
  C         6.5019140119        7.8703360189        2.4688240375
  C         5.5367582883        8.1784924876        3.4409379254
  C         5.1455836640        9.5057542188        3.7347443476
  C         5.7056987154       10.5012050815        2.8973301857
  B         4.2370288422        9.8706355265        5.0635846762
  C         3.2256207474        8.6852173757        5.5293961056
  C         2.5327027848        7.8670363657        4.6381263784
  C         1.6491424328        6.8710001226        5.0769564401
  C         1.3288628469        6.7385806241        6.4399534135
  C         1.9450459825        7.6322838092        7.3362181148
  C         2.9065599480        8.5505844093        6.8855051986
  C         1.6049470149        7.5480368473        8.8056404026
  F         0.6245623698        6.6455640591        9.0958800922
  F         2.6882183216        7.1632981637        9.5482314547
  F         1.1740532771        8.7396713599        9.3224505864
  C         1.1784343931        5.9666609262        3.9790574770
  F         2.2259964129        5.2467202252        3.4506591218
  F         0.2350757680        5.0586952883        4.3411459672
  F         0.6601312733        6.7202002850        2.9390811635
  C         5.3676492105       10.1897918308        6.2198434040
  C         5.9939546437        9.1618440100        6.9399255460
  C         6.9304755397        9.3967723510        7.9464191130
  C         7.3587704926       10.6869803355        8.2611136878
  C         6.8187375891       11.7317179430        7.4927584766
  C         5.8257915596       11.4834554363        6.5279492456
  C         7.3183224406       13.1419581749        7.6967674548
  F         7.8345181150       13.3467834078        8.9459187619
  F         6.3401301415       14.0807934494        7.4871497861
  F         8.3240787412       13.4831243012        6.8167784720
  C         7.2919297344        8.1382652331        8.6703572931
  F         8.4403545957        8.2275310704        9.3911135403
  F         7.4224488301        7.0992474409        7.7832048070
  F         6.2861875636        7.7396183548        9.5342554321
  C         3.1829810921       11.0999156639        4.8209978204
  C         2.5941558522       11.2671447746        3.5565584386
  C         1.6765899018       12.2931338555        3.2955094301
  C         1.3024254698       13.2068628487        4.2681948705
  C         1.8407341860       13.0338920343        5.5435451479
  C         2.7396190323       11.9815204866        5.8192424390
  C         1.1027421912       12.3884242150        1.9236965109
  F         0.9997685937       11.1612035800        1.3248148041
  F         1.8760696365       13.1625485730        1.1006938086
  F        -0.1709070959       12.9041610017        1.9182194274
  C         6.8311313556        6.4231699252        2.2179608782
  F         7.6078550961        6.2421454785        1.1077257285
  F         7.4891668922        5.8848547173        3.3005310823
  F         5.7078770004        5.6355079749        2.0555894046
  F         0.7573807003       15.0354360655        6.2520529573
  F         0.9477996590       13.3788503200        7.7157796985
  F         2.7206769270       14.5647667312        7.1260579080
  C         1.5584269863       13.9995914072        6.6522676183
  H         7.8856983930        8.6645190329        0.9994553188
  H         5.0608946134        7.3414703712        3.9549523627
  H         5.4376670725       11.5538855660        3.0130175191
  H         2.7200919551        7.9922825384        3.5727530536
  H         0.6367933888        5.9867437413        6.8342822912
  H         3.4692306112        9.2025441574        7.5502673219
  H         5.7317218736        8.1189186725        6.7969157803
  H         8.0375114897       10.9129417355        9.0807669113
  H         5.3524524393       12.3306658793        6.0352999973
  H         2.8404851870       10.5816214169        2.7525794464
  H         0.5738632518       13.9801492660        4.0212668462
  H         3.1337828811       11.9013871961        6.8347511542
  F         9.9769736622        8.3845958606       18.4778611851
  C        11.2676856286        8.6582027324       18.8616965910
  F        11.9403233818        7.4758442971       18.8314590109
  F        11.2205562852        9.0215377057       20.1818663901
  C        11.8456273095        9.7483018861       18.0184333987
  C        11.3736262289       11.0497111014       18.2072583508
  C        11.8571005584       12.0258884352       17.3346961605
  C        12.7354823795       11.6999430533       16.2911559568
  C        13.2423856381       10.4055420018       16.1089223931
  C        12.7774587368        9.4428735710       17.0237305172
  B        14.1514229139        9.9818097164       14.8105769058
  C        15.1693138921       11.1727065990       14.3597619736
  C        15.8093162755       11.9963659498       15.2973442802
  C        16.7078399139       12.9850952711       14.8758648899
  C        17.0767060821       13.1116450184       13.5337118922
  C        16.4943191553       12.2611303892       12.5857735804
  C        15.5389167711       11.3257998687       13.0081529086
  C        16.8270533598       12.3896884742       11.1050706459
  F        17.8337272435       13.2736489254       10.8456407413
  F        15.7462444435       12.8183933891       10.3446331692
  F        17.2252096101       11.1963492033       10.5495270349
  C        17.2429571992       13.9390616510       15.9009227919
  F        16.2471639174       14.6768226253       16.4881116652
  F        18.1440089813       14.8403575953       15.3924084212
  F        17.8448429755       13.2603005246       16.9333386659
  C        13.0842399827        9.6089959568       13.5850727397
  C        12.4845984216       10.6490093792       12.8352914494
  C        11.5016875269       10.4191424353       11.8556830126
  C        11.0088967018        9.1270908012       11.6423086687
  C        11.6116672860        8.0784248522       12.3440324894
  C        12.6465230615        8.3039488578       13.2587848134
  C        11.0235560884        6.7031367783       12.2152353557
  F        10.4898139015        6.4957310907       10.9833745702
  F        11.9211171863        5.6954797435       12.4561144560
  F        10.0083837714        6.5022234988       13.1242581619
  C        10.9181864436       11.5340126336       11.0207756300
  F         9.7408962352       11.1805356179       10.4118510198
  F        10.6269431731       12.6607448592       11.7336170717
  F        11.7497822612       11.8917987525        9.9850476885
  C        15.1864636416        8.7634774134       15.1014145344
  C        15.8647982313        8.6094241221       16.3205659275
  C        16.7901576494        7.5777160719       16.4825900572
  C        17.0871658942        6.6992471326       15.4432470072
  C        16.4763550569        6.8625362013       14.2112735302
  C        15.5438171216        7.9041011768       14.0471269520
  C        17.4683185392        7.2548699143       17.7707123598
  F        17.6183061081        8.3241789395       18.6148564007
  F        16.7981529682        6.2729968536       18.4657236753
  F        18.7175209485        6.7411548611       17.5228420454
  C        11.3824505801       13.4390123750       17.4362392920
  F        10.7830105952       13.6774149141       18.6288067467
  F        10.4784977707       13.7380627321       16.4281084453
  F        12.4011348733       14.3425470482       17.3013808096
  F        17.6273691920        4.8889665444       13.4756522056
  F        17.3730762193        6.5364241025       12.0149425474
  F        15.6555328687        5.2791587287       12.6015825485
  C        16.7854243259        5.9032907612       13.0827483196
  H        10.6370682814       11.2880788035       18.9761536456
  H        12.9637882319       12.4872087351       15.5741816450
  H        13.1290473036        8.4222982863       16.9436169654
  H        15.6289923025       11.8473805590       16.3639028336
  H        17.7950845733       13.8723228847       13.2497106680
  H        15.0538161401       10.6929877786       12.2662935275
  H        12.7863891003       11.6707167866       13.0690456857
  H        10.1348288382        8.9477210093       11.0196991452
  H        13.0687972079        7.4150639054       13.7337469432
  H        15.6962827148        9.3217647816       17.1231911459
  H        17.7953416839        5.9023154347       15.6345708844
  H        15.0733489402        8.0657840383       13.0785030976
  F         2.7276041373       18.6283831112       20.1164838071
  C         2.6908541367       18.2943295049       18.7868762032
  F         1.3660026206       18.0138441014       18.4948301701
  F         3.3574641407       17.1003444030       18.6397196395
  C         3.2789116405       19.3974671255       17.9405571044
  C         4.1178721201       19.0597057010       16.8660158153
  C         4.6668524385       20.0168036970       15.9791731060
  C         4.2645499453       21.3393956224       16.2105976111
  C         3.4643477109       21.6846499776       17.3016339727
  C         2.9773594238       20.7400174272       18.1984428964
  C         2.9316658942       23.0692369649       17.4397652867
  F         2.3014967568       23.2902391429       18.6334237198
  F         3.9029185288       24.0266760711       17.3151205655
  F         1.9907105859       23.2908487581       16.4460460026
  B         5.6098843748       19.6321753787       14.6773823256
  C         6.6906438165       18.4579495676       14.9806170892
  C         7.3220848779       18.3377074683       16.2309648789
  C         8.2651517768       17.3385670132       16.4782648405
  C         8.6192444525       16.4295529397       15.4887773089
  C         8.0317980413       16.5539617905       14.2284438420
  C         7.1184272555       17.5912099808       13.9606657165
  C         8.4063275880       15.5951886870       13.1379704382
  F         7.3061886938       15.0321167598       12.5430765892
  F         9.2070612245       14.5684133095       13.5674899005
  F         9.1071088799       16.2381418398       12.1552599225
  C         8.7916528009       17.1654002935       17.8655271426
  F         8.9154273647       18.3746847313       18.4905577834
  F        10.0176804176       16.5646699928       17.8934420228
  F         7.9726664697       16.3966967176       18.6799881023
  C         6.6437307259       20.8221812853       14.2777585734
  C         7.2160228273       21.6515632832       15.2532155472
  C         8.1824950250       22.6038358803       14.9138923161
  C         8.6181626422       22.7534950924       13.5905792691
  C         8.0378946653       21.9483649131       12.6059866297
  C         7.0909894763       20.9826709574       12.9607275171
  C         8.3867522729       22.1082887781       11.1500952483
  F         8.8133128945       20.9004211893       10.6321544634
  F         9.3644958399       23.0328337286       10.9300762396
  F         7.3166788026       22.5080812410       10.3679098943
  C         8.6813332539       23.5733549800       15.9454334939
  F         9.5842013621       24.4605215583       15.4172363054
  F         7.6892413430       24.3500088131       16.5027604812
  F         9.2778298319       22.8931209441       16.9887905160
  C         4.5676026988       19.2447416672       13.4631195795
  C         4.0747928191       17.9398082554       13.2654853484
  C         3.1053703650       17.6735643395       12.2870546537
  C         2.5946720452       18.6747581833       11.4695860901
  C         3.0161974053       19.9950857196       11.6843692544
  C         4.0031834730       20.2523262523       12.6495166906
  C         2.3917120253       21.1168949962       10.8839967311
  F         2.3602412971       20.7815725078        9.5442628491
  F         1.0829319449       21.3906463839       11.2354646092
  F         3.0315193069       22.3160804109       11.0085842870
  C         2.5069267396       16.2999710895       12.1769354503
  F         1.9263651045       16.0486348219       10.9632708887
  F         3.4231023833       15.3105406741       12.3995001217
  F         1.5205834602       16.1204050884       13.1318611223
  H         4.3439675260       18.0038825913       16.7427700815
  H         4.5558460946       22.1011865097       15.4921951883
  H         2.3528513419       21.1037509814       19.0100314170
  H         7.0709517952       19.0097851101       17.0472061199
  H         9.3400073479       15.6547216539       15.7287578743
  H         6.7142479049       17.7681508706       12.9574739002
  H         6.8372956746       21.5948819655       16.2727494054
  H         9.3400540847       23.5326728534       13.3645856898
  H         6.6601990543       20.3493528755       12.1896355823
  H         4.4391019879       17.0948341133       13.8524900190
  H         1.9198714317       18.3441248418       10.6819646890
  H         4.3669736188       21.2703918003       12.7571119613
  F        15.6687564476        1.2836052728       -0.3080126637
  C        15.7016940403        1.6421002037        1.0197199450
  F        17.0315350414        1.9048421682        1.3019060150
  F        15.0388693084        2.8294822481        1.1517400019
  C        15.1205777606        0.5791177855        1.9102899939
  C        14.3250187515        0.9352951540        3.0122547700
  C        13.8082639040       -0.0321159054        3.9037654152
  C        14.2294803879       -1.3543397465        3.6902506286
  C        15.0173120550       -1.7171966659        2.5836962354
  C        15.4326261668       -0.7627445397        1.6543707390
  C        15.4930348842       -3.1295892884        2.3831692377
  F        16.0900121237       -3.3592831009        1.1690210106
  F        14.4861731578       -4.0488164876        2.4831171325
  F        16.4161927314       -3.4461407857        3.3579911757
  B        12.8217478395        0.2509764213        5.1985282501
  C        11.7184589000        1.4290416786        4.9253217239
  C        11.1460415621        1.5044451078        3.6396051873
  C        10.1837511896        2.4766941330        3.3117130215
  C         9.7356746282        3.3745376222        4.2929270196
  C        10.2915881857        3.3121260940        5.5782672763
  C        11.2607536919        2.3467098214        5.8835682205
  C         9.9517896744        4.3010310302        6.6661061417
  F        11.0762769530        4.8729575807        7.2360916230
  F         9.1821799695        5.3412672351        6.2288045705
  F         9.2923117296        3.6846160415        7.6987885676
  C         9.6399283508        2.7104945681        1.9094824205
  F         9.4853368536        1.5367689083        1.2354366932
  F         8.4019116755        3.3391334981        1.9063568931
  F        10.4370310296        3.5196093044        1.1120767519
  C        11.8326757705       -1.0218902942        5.5566698499
  C        11.3119027561       -1.9106342896        4.5969342671
  C        10.3119490553       -2.8340190686        4.9143037328
  C         9.8255144571       -2.9911902486        6.2130841613
  C        10.3332580634       -2.1209769258        7.1866769168
  C        11.2934526752       -1.1598530907        6.8498492192
  C         9.9597946082       -2.2013090985        8.6422737015
  F         9.5853558569       -0.9761526993        9.1565787160
  F         8.9386965919       -3.0625531896        8.8698090377
  F        11.0125278608       -2.6040695307        9.4399412396
  C         9.7499708544       -3.7044100045        3.8373890182
  F         8.8086622151       -4.5644666891        4.3140816993
  F        10.7110640727       -4.4524611718        3.2127773323
  F         9.1311744118       -2.9631600646        2.8500520359
  C        13.8788340002        0.5804741623        6.3896271223
  C        14.3728718276        1.8830335629        6.6055388932
  C        15.3225363054        2.1889090221        7.5938576316
  C        15.8093881987        1.1662852934        8.4120048051
  C        15.3931316869       -0.1399197177        8.1418030182
  C        14.4665929355       -0.4471551925        7.1525023611
  C        16.0205891478       -1.2310809353        8.9293923168
  F        16.0423600043       -0.8738972302       10.2604561122
  F        17.3237200229       -1.4856976984        8.5650357269
  F        15.3700947361       -2.4173111074        8.7933793512
  C        15.9001646184        3.5807740835        7.6609152290
  F        16.4763879101        3.8681736977        8.8626296760
  F        14.9611947747        4.5411361705        7.4000899481
  F        16.8702358866        3.7875270327        6.6787538917
  H        14.0822044724        1.9915402810        3.1368276348
  H        13.8300655543       -2.0892729920        4.3905722341
  H        15.9793346902       -1.0817987711        0.7682012793
  H        11.5505812703        0.7962175895        2.9173950000
  H         8.9974538803        4.1044167165        3.9725947547
  H        11.7166501631        2.3626303180        6.8745971312
  H        11.6998360187       -1.9274619491        3.5795267268
  H         9.1563391656       -3.8247744915        6.4114253578
  H        11.6514381991       -0.5355285865        7.6656075531
  H        14.0102292191        2.6810907432        5.9565698804
  H        16.5342815029        1.3529484199        9.1980767821
  H        14.2182732961       -1.4964010403        6.9763403119
  H        10.7162745522       11.8101819280        4.7922601111
  H        12.0879456106       10.5314197528        3.4746733371
     646
 i =       27, E =         0.0352821031
 Rh         3.6116216438        0.2515484316        4.8255816403
  P         5.3619867981        0.6310637154        6.2733303635
  C         5.3004186461       -0.2862084058        7.8818250565
  C         4.7920917688       -1.7231107044        7.6427413820
  C         4.4878002116       -2.4136451793        8.9783494104
  C         5.6754472631       -2.2483805673        9.9413120758
  C         6.1840441356       -0.8153405978       10.1542902243
  C         6.5295863868       -0.1586693274        8.8146817074
  C         5.6492680712        2.3875001149        6.7749128890
  C         4.6753061191        2.7996006852        7.9095851485
  C         4.6449615764        4.3159292710        8.1607269920
  C         4.5407134191        5.1136914194        6.8624685156
  C         5.7305559865        4.7913309389        5.9623644892
  C         5.5788888208        3.3224895388        5.5396630525
  C         6.9728496159        0.0881503802        5.4713118125
  C         6.9141409003        0.2202697613        3.9489019757
  P         5.2918255547       -0.2504410662        3.2559453587
  C         5.4941723115       -2.0372078951        2.7334524380
  C         4.3388299280       -2.4560585463        1.8015626174
  C         4.3845575628       -3.9481100090        1.4478912760
  C         4.2286495802       -4.7710543023        2.7394415971
  C         5.3719740625       -4.4267384027        3.7118400729
  C         5.4367386416       -2.9032992937        4.0100515589
  C         5.2199734223        0.7263013934        1.6952384964
  C         4.9089520603        2.2385019449        1.9338301877
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  H        12.0526186472        5.5072728643        1.0654276825
  H        13.8190278071        5.5442398649        0.9074007270
  H        12.0932042123        7.5467833138        2.4326446673
  H        13.0527034394        7.8702693352        1.0032240513
  H        13.2187960901        9.9541902665        1.1050616270
  H        13.2140368459       12.0348219796        2.6079103783
  H        14.9175262617       12.2402198947        2.1326298751
  H        12.5223972719       12.1764240969        0.2224391746
  H        13.4760177171       13.5864485091        0.7025762827
  H        14.3013767742       12.8443553328       -1.4430523836
  H        15.5189035494       12.6308931884       -0.2131623784
  H        15.4363866896        9.0114612429        0.4554893823
  H        16.2078634387       10.5629602860        0.8142917887
  H        13.8714772264       10.1917436834       -1.1364038379
  H        15.5247904065       10.5844077630       -1.6005201023
  H        13.3279246026        9.8708570436        8.2580788471
  H        12.9754182140        7.6097516901        6.8761742005
  H        14.5981080272        7.1950897438        7.3368835238
  H        12.9468743041        6.1156061672        8.7877592997
  H        12.4951169013        7.6301203093        9.5207852365
  H        14.3489908945        6.9437964516       10.9790621289
  H        15.4010132165        6.5879605991        9.6088922254
  H        15.8509980509        8.9207413823       10.6751827944
  H        14.1372239270        9.2536213147       10.4164275002
  H        16.2479133818        9.0769129814        8.1615488021
  H        15.5333177683       10.5144097960        8.8412177533
  H        10.6414521349       10.0687482073        2.5286862762
  H        11.1326473248        9.1709172563        7.2214337527
  H         9.2571711031       10.5371780090        6.6171770616
  H         8.0462960781        9.6069369070        4.3408293410
  H         8.2746343372        8.2030872778        5.3495162277
  H         9.9208570807        7.8819287785        3.2518739414
  H         9.1138433734       11.3137752526        4.1804856076
  H        11.5255439049        7.2152378274        5.1861118885
  F         8.4570997237       11.6056237241        1.4581864186
  C         7.2080341614       11.2448239468        1.0386864646
  F         6.4688832265       12.3812676242        1.0267323494
  F         7.3213691263       10.8338081202       -0.2842199784
  C         6.6365994861       10.1792642180        1.9068231660
  C         7.1103597821        8.8800209063        1.7261223273
  C         6.5042663654        7.8717249842        2.4697716306
  C         5.5358983988        8.1796982884        3.4390424478
  C         5.1451604523        9.5068504426        3.7338790266
  C         5.7053401742       10.5022170032        2.8967954209
  B         4.2366219944        9.8698559712        5.0634228454
  C         3.2255705436        8.6838416177        5.5281534401
  C         2.5297137446        7.8678586760        4.6372492834
  C         1.6470170821        6.8713028392        5.0772144516
  C         1.3288528198        6.7387265599        6.4408162960
  C         1.9465018924        7.6321262045        7.3366935410
  C         2.9095153857        8.5486656025        6.8847486132
  C         1.6054275791        7.5481387404        8.8061730599
  F         0.6246710047        6.6457086371        9.0961525804
  F         2.6882906222        7.1633297609        9.5489836759
  F         1.1738939404        8.7396749947        9.3227573301
  C         1.1762149190        5.9667457315        3.9794944337
  F         2.2241550398        5.2470242422        3.4510707016
  F         0.2328494720        5.0585051818        4.3419043604
  F         0.6588660225        6.7203348025        2.9393321179
  C         5.3678057684       10.1882818999        6.2201944132
  C         5.9963879226        9.1609922689        6.9391084008
  C         6.9320778833        9.3968459470        7.9462244745
  C         7.3597126568       10.6873205744        8.2609430153
  C         6.8180135180       11.7315994791        7.4930277891
  C         5.8234450187       11.4823233262        6.5298979161
  C         7.3175219474       13.1420201877        7.6967950915
  F         7.8339097755       13.3468821928        8.9459245188
  F         6.3393459222       14.0808274744        7.4873069274
  F         8.3233125177       13.4831521975        6.8168119567
  C         7.2923143221        8.1383991128        8.6705046694
  F         8.4403479502        8.2275594396        9.3913162484
  F         7.4222681794        7.0992169957        7.7834918143
  F         6.2860677535        7.7399269404        9.5342880030
  C         3.1810862958       11.0985875936        4.8222485421
  C         2.5923380900       11.2665866380        3.5576509825
  C         1.6763681303       12.2924532811        3.2956659754
  C         1.3021178957       13.2081074989        4.2681122717
  C         1.8391124295       13.0332985746        5.5443315784
  C         2.7358804330       11.9800236467        5.8207817487
  C         1.1024437275       12.3885213643        1.9241023138
  F         0.9993458632       11.1612492879        1.3251833658
  F         1.8757500143       13.1625460902        1.1010469856
  F        -0.1713682831       12.9041961874        1.9186086123
  C         6.8313675486        6.4238558840        2.2181857381
  F         7.6074838750        6.2423669360        1.1076771944
  F         7.4888068530        5.8848918470        3.3006316746
  F         5.7075109024        5.6364077199        2.0558003904
  F         0.7555077856       15.0354156678        6.2528691202
  F         0.9468830489       13.3787962632        7.7166345004
  F         2.7186060424       14.5649130646        7.1265262864
  C         1.5569444696       13.9995173171        6.6527092176
  H         7.8964835811        8.6683208522        1.0085951835
  H         5.0568868211        7.3420527430        3.9491648737
  H         5.4358239967       11.5547205221        3.0102841303
  H         2.7135313322        7.9946206143        3.5713110119
  H         0.6372947705        5.9873108964        6.8371414558
  H         3.4761001857        9.1992115876        7.5477733626
  H         5.7369908592        8.1172835309        6.7967596724
  H         8.0380014688       10.9146074961        9.0805751306
  H         5.3462997525       12.3291381747        6.0402292165
  H         2.8384018574       10.5803307174        2.7539442760
  H         0.5750826919       13.9819816130        4.0198001931
  H         3.1276775184       11.8984693283        6.8372501378
  F         9.9771324667        8.3846748510       18.4778401408
  C        11.2676846857        8.6584476010       18.8620529686
  F        11.9404502465        7.4761878871       18.8313272318
  F        11.2207617724        9.0215716260       20.1823342295
  C        11.8452628204        9.7490643169       18.0196258827
  C        11.3714254234       11.0502301708       18.2078791295
  C        11.8557943963       12.0262029616       17.3352251962
  C        12.7336755925       11.7001865075       16.2914854837
  C        13.2419393682       10.4061630116       16.1101487596
  C        12.7785527314        9.4444897834       17.0265021059
  B        14.1510713454        9.9818516054       14.8119458103
  C        15.1692894751       11.1724184693       14.3616180160
  C        15.8110977949       11.9940471082       15.2993727159
  C        16.7082488596       12.9836928819       14.8770210849
  C        17.0760775545       13.1106553969       13.5344843572
  C        16.4930261262       12.2607414618       12.5862795978
  C        15.5370489907       11.3262414894       13.0096828134
  C        16.8257978534       12.3896669172       11.1051737106
  F        17.8313848291       13.2742804049       10.8452388530
  F        15.7455237484       12.8185212151       10.3442842267
  F        17.2246908446       11.1966708175       10.5491903171
  C        17.2431505431       13.9388204443       15.9009753929
  F        16.2471967291       14.6768417115       16.4877243240
  F        18.1437987087       14.8404093344       15.3918953828
  F        17.8450911857       13.2605268429       16.9333032918
  C        13.0849428283        9.6077485902       13.5849763215
  C        12.4847957929       10.6482138772       12.8363131503
  C        11.5012849890       10.4193841458       11.8565807770
  C        11.0067902430        9.1277384086       11.6444661349
  C        11.6116830220        8.0782934974       12.3433046471
  C        12.6491204319        8.3027053671       13.2558345750
  C        11.0233734960        6.7030844197       12.2147476968
  F        10.4895110183        6.4957996555       10.9830059325
  F        11.9209964425        5.6955672698       12.4557708198
  F        10.0083327906        6.5023483134       13.1240745166
  C        10.9180404060       11.5341785630       11.0210602590
  F         9.7407464787       11.1806401352       10.4118977521
  F        10.6266896595       12.6610223579       11.7335783585
  F        11.7494161311       11.8918680123        9.9851871565
  C        15.1868096703        8.7647556946       15.1030065465
  C        15.8667675540        8.6118795079       16.3215336952
  C        16.7909414393        7.5800431846       16.4828058035
  C        17.0874512010        6.7006559255       15.4438687074
  C        16.4761642035        6.8638660059       14.2113030260
  C        15.5438806871        7.9053581574       14.0485002424
  C        17.4691741574        7.2561850355       17.7703179919
  F        17.6186693804        8.3247649674       18.6149630955
  F        16.7987104543        6.2742635571       18.4648710873
  F        18.7187241463        6.7434089336       17.5222699345
  C        11.3820521922       13.4394317830       17.4364583024
  F        10.7828628504       13.6778746349       18.6289487282
  F        10.4783748828       13.7382492629       16.4279823819
  F        12.4010793853       14.3425594672       17.3012518471
  F        17.6272439886        4.8896496546       13.4753711459
  F        17.3729053579        6.5367553012       12.0146052743
  F        15.6554783831        5.2796206322       12.6013419150
  C        16.7853884579        5.9040265518       13.0827432902
  H        10.6333461872       11.2883126675       18.9753920547
  H        12.9597068900       12.4874619328       15.5737071884
  H        13.1323375067        8.4245233196       16.9488044424
  H        15.6338913078       11.8429601799       16.3662933551
  H        17.7946895364       13.8712420749       13.2510864132
  H        15.0498035950       10.6941744503       12.2686141951
  H        12.7866189524       11.6696157065       13.0714878114
  H        10.1294795487        8.9496608418       11.0258533520
  H        13.0736646141        7.4122467696       13.7262392471
  H        15.7001298506        9.3258968129       17.1232226890
  H        17.7952124602        5.9040772544       15.6357582885
  H        15.0727185470        8.0683614729       13.0803010224
  F         2.7277105500       18.6282640302       20.1180443365
  C         2.6911082776       18.2955302102       18.7880588144
  F         1.3664793421       18.0141172991       18.4954724699
  F         3.3575506138       17.1011437126       18.6401776239
  C         3.2796531732       19.3999709076       17.9425692135
  C         4.1181220063       19.0613303302       16.8674765648
  C         4.6669510183       20.0174603571       15.9796066192
  C         4.2646676024       21.3402926734       16.2096894348
  C         3.4667662128       21.6871390144       17.3020883196
  C         2.9805360470       20.7433257778       18.2002144246
  C         2.9328038178       23.0714572816       17.4397719637
  F         2.3017518045       23.2905319413       18.6336529691
  F         3.9027281680       24.0291829776       17.3148769434
  F         1.9907504710       23.2909877693       16.4465998291
  B         5.6103365901       19.6326735699       14.6777007968
  C         6.6930510495       18.4603487684       14.9805452945
  C         7.3252208760       18.3404596280       16.2305639612
  C         8.2669840209       17.3403873237       16.4777032681
  C         8.6198199365       16.4306089111       15.4882232151
  C         8.0329728562       16.5559198386       14.2275641479
  C         7.1213565728       17.5945506816       13.9598291140
  C         8.4063902422       15.5958666000       13.1376629084
  F         7.3059957591       15.0323460546       12.5432927496
  F         9.2067865295       14.5687288670       13.5674461142
  F         9.1068245049       16.2382382018       12.1544153367
  C         8.7925130732       17.1660716788       17.8650423632
  F         8.9156658807       18.3749585467       18.4907389481
  F        10.0180750927       16.5647391873       17.8934262898
  F         7.9732003967       16.3974166270       18.6789343364
  C         6.6442718716       20.8222631048       14.2784946995
  C         7.2163551575       21.6509557204       15.2545431244
  C         8.1845342383       22.6018753092       14.9163018065
  C         8.6211583896       22.7510148728       13.5928393064
  C         8.0398733253       21.9472409658       12.6074644394
  C         7.0921918599       20.9823264027       12.9619338533
  C         8.3870368334       22.1080584893       11.1511858404
  F         8.8129808976       20.9004214423       10.6321708689
  F         9.3641607684       23.0329537626       10.9301352655
  F         7.3156993502       22.5079383019       10.3715935279
  C         8.6820548994       23.5726846918       15.9480249480
  F         9.5839888856       24.4600979236       15.4181788095
  F         7.6890488350       24.3497703143       16.5028333679
  F         9.2772841933       22.8943787071       16.9954938946
  C         4.5691987248       19.2433407255       13.4628841533
  C         4.0767906026       17.9380340628       13.2659530206
  C         3.1077913906       17.6715926141       12.2873305320
  C         2.5974286362       18.6722575158       11.4687060524
  C         3.0175629175       19.9931140559       11.6835727421
  C         4.0047981054       20.2503231036       12.6483103793
  C         2.3919292860       21.1157351623       10.8842345784
  F         2.3598013476       20.7814560928        9.5444359610
  F         1.0830207210       21.3898391733       11.2362803170
  F         3.0310939996       22.3155186057       11.0091209061
  C         2.5075068108       16.2990034564       12.1777310423
  F         1.9259323180       16.0482750221       10.9649062320
  F         3.4230922673       15.3096569664       12.3999943919
  F         1.5205963685       16.1203531557       13.1324172291
  H         4.3429810734       18.0051018967       16.7452980697
  H         4.5541388016       22.1006684669       15.4892414506
  H         2.3580422199       21.1093422530       19.0124905180
  H         7.0756663616       19.0135826766       17.0465375828
  H         9.3394446654       15.6550148283       15.7285458948
  H         6.7183338841       17.7743457720       12.9565350952
  H         6.8356638833       21.5949981605       16.2733498615
  H         9.3443071752       23.5293292718       13.3678563832
  H         6.6608177653       20.3495394992       12.1908066249
  H         4.4413543988       17.0931337604       13.8532160271
  H         1.9249121687       18.3394933655       10.6800897843
  H         4.3698812007       21.2680090075       12.7545904381
  F        15.6678748324        1.2837462594       -0.3085278417
  C        15.7005781761        1.6422416342        1.0191221153
  F        17.0302659093        1.9051413191        1.3013919127
  F        15.0378771620        2.8298024496        1.1509226920
  C        15.1193238970        0.5794757358        1.9102482529
  C        14.3260835586        0.9369795022        3.0137278409
  C        13.8092036087       -0.0300214399        3.9059098529
  C        14.2307449594       -1.3523638438        3.6933020472
  C        15.0159796041       -1.7165361224        2.5851442120
  C        15.4285931905       -0.7629289701        1.6536365652
  C        15.4918900758       -3.1288714143        2.3835316702
  F        16.0876707738       -3.3571055085        1.1685991281
  F        14.4853831992       -4.0486170556        2.4828349199
  F        16.4157013441       -3.4458805652        3.3575677111
  B        12.8214865716        0.2499940942        5.2009077333
  C        11.7164464314        1.4267195351        4.9288474052
  C        11.1448903296        1.5002503591        3.6425098932
  C        10.1830635379        2.4728075939        3.3125132060
  C         9.7341221144        3.3707993139        4.2931937225
  C        10.2893085058        3.3103086231        5.5787637858
  C        11.2585182856        2.3455236295        5.8858567110
  C         9.9503317618        4.3006073275        6.6655925256
  F        11.0747606247        4.8728829954        7.2345927311
  F         9.1812757845        5.3412751658        6.2284719278
  F         9.2914994313        3.6848065667        7.6989096628
  C         9.6396392761        2.7091945079        1.9098321053
  F         9.4845674195        1.5365106391        1.2348888117
  F         8.4016294095        3.3390370922        1.9064821284
  F        10.4363340786        3.5192039199        1.1126877700
  C        11.8337846216       -1.0246897946        5.5573524817
  C        11.3147691496       -1.9144879511        4.5975620595
  C        10.3125635587       -2.8356826008        4.9139719692
  C         9.8244107450       -2.9927847073        6.2120223980
  C        10.3316411070       -2.1227784643        7.1860296033
  C        11.2922383706       -1.1620282487        6.8496707975
  C         9.9584396357       -2.2020476858        8.6418048842
  F         9.5851907862       -0.9763067290        9.1561604859
  F         8.9358407693       -3.0623150636        8.8697127848
  F        11.0119189414       -2.6041538326        9.4389205484
  C         9.7497720458       -3.7048885834        3.8368993971
  F         8.8080287782       -4.5645245292        4.3135362112
  F        10.7106366895       -4.4525766851        3.2120522184
  F         9.1308016331       -2.9630191659        2.8500115904
  C        13.8780953983        0.5792145813        6.3918634448
  C        14.3721738666        1.8818878484        6.6073607062
  C        15.3214836052        2.1886354693        7.5959459803
  C        15.8070100821        1.1663936565        8.4153065208
  C        15.3924914399       -0.1399398892        8.1436568692
  C        14.4669441278       -0.4484054194        7.1536829834
  C        16.0205250577       -1.2311439310        8.9298561433
  F        16.0423713995       -0.8738188752       10.2605416108
  F        17.3235290498       -1.4855081982        8.5646063416
  F        15.3700475213       -2.4173080936        8.7930995443
  C        15.8992229211        3.5807849040        7.6612955032
  F        16.4761727144        3.8685330220        8.8624629326
  F        14.9599940095        4.5410516102        7.3998882639
  F        16.8688831005        3.7876031841        6.6785115742
  H        14.0851034566        1.9938143318        3.1378976882
  H        13.8320921891       -2.0854173532        4.3960918612
  H        15.9707079006       -1.0838600189        0.7651241381
  H        11.5515544645        0.7902336386        2.9230632425
  H         8.9956168864        4.0993438834        3.9705689050
  H        11.7144949620        2.3639239021        6.8767930007
  H        11.7060888678       -1.9345616118        3.5814426334
  H         9.1555848637       -3.8271516347        6.4085047647
  H        11.6489861968       -0.5379185753        7.6660083581
  H        14.0100122283        2.6791960880        5.9571889532
  H        16.5298452128        1.3526804590        9.2035922245
  H        14.2212505593       -1.4981847126        6.9764599552
  H        10.7123088271       11.8142234203        4.7856006587
  H        12.0687554498       10.5193607956        3.4780743206
     646
 i =       28, E =         0.0349998484
 Rh         3.6097994210        0.2512262226        4.8254205925
  P         5.3609077127        0.6300146316        6.2726629876
  C         5.3024614005       -0.2850198937        7.8824247291
  C         4.7907499166       -1.7209052566        7.6449269775
  C         4.4874658531       -2.4108986439        8.9809764337
  C         5.6749667632       -2.2423312664        9.9437195786
  C         6.1851813510       -0.8096119781       10.1554500631
  C         6.5323414827       -0.1559679493        8.8147480422
  C         5.6484182910        2.3861226521        6.7735177531
  C         4.6755732342        2.7975076631        7.9097174717
  C         4.6403007266        4.3141249157        8.1593106683
  C         4.5389297571        5.1109521146        6.8602187782
  C         5.7332863368        4.7899487229        5.9653178698
  C         5.5786109580        3.3223035605        5.5393052974
  C         6.9713618487        0.0865874889        5.4699278176
  C         6.9120584961        0.2190063783        3.9479776018
  P         5.2907194773       -0.2504412392        3.2541187920
  C         5.4921000291       -2.0371593702        2.7307738668
  C         4.3361291353       -2.4561998098        1.7997966884
  C         4.3853176641       -3.9473051916        1.4421349582
  C         4.2255903124       -4.7714817831        2.7326040713
  C         5.3658452798       -4.4271093472        3.7089097569
  C         5.4314863175       -2.9034697913        4.0070300392
  C         5.2248772718        0.7278339934        1.6941356169
  C         4.9144603676        2.2405331814        1.9320807300
  C         4.4008385900        2.8306009639        0.6039108652
  C         5.4566462806        2.6238860812       -0.4887223710
  C         5.9274776240        1.1770599708       -0.6661912731
  C         6.3932253058        0.5714440992        0.6717300957
  C         1.9040482686        0.2800760733        3.4620203623
  C         1.9039169122       -0.9724800539        4.0821359684
  C         1.0534106907       -0.8368904416        5.3481091672
  C         1.8901957748        0.1245090560        6.2295717447
  C         1.8461647243        1.3813006474        5.6203503912
  C         1.0144304869        1.1970576953        4.3285227604
  C        -0.0269343390        0.1922261478        4.9003065084
  H         4.4946706321        0.2024295330        8.4517006416
  H         5.5085904826       -2.3635706083        7.1149686437
  H         3.9162077022       -1.6564300924        6.9727322832
  H         4.3552430724       -3.4833266022        8.7718389714
  H         3.5606383902       -2.0562586864        9.4581274330
  H         5.4344026228       -2.6752866298       10.9193963831
  H         6.5172677631       -2.8219218274        9.5392852629
  H         7.0979219817       -0.8578490477       10.7716929639
  H         5.4788160925       -0.1602969719       10.7005086346
  H         6.8096834147        0.8949790465        9.0063729642
  H         7.4248694347       -0.6668597905        8.4351358456
  H         6.6755596603        2.3627508370        7.1765987424
  H         4.9724910054        2.2741134861        8.8334972650
  H         3.6548641934        2.4762265825        7.6570649225
  H         5.5503205591        4.6194883917        8.6950545867
  H         3.7812649951        4.5912984601        8.7862885756
  H         4.4878325342        6.1798783586        7.0898597468
  H         3.5962736000        4.8681816332        6.3368413115
  H         6.6591649837        4.9475322818        6.5426336078
  H         5.7881085181        5.4688454181        5.1025106450
  H         6.3232828045        3.0293932339        4.7866879541
  H         4.5941797379        3.2267414313        5.0425418929
  H         7.8068038225        0.7062255490        5.8108516881
  H         7.1467589287       -0.9425276056        5.8123585298
  H         7.7012878192       -0.3220060957        3.4054387067
  H         7.0082188385        1.2849035222        3.6879629786
  H         6.4836895086       -2.1495604451        2.2645603063
  H         4.2380729555       -1.8249534410        0.9066356606
  H         3.4309590598       -2.3057969731        2.4078647029
  H         5.3215490722       -4.1656490656        0.9048380730
  H         3.5917159286       -4.2146715356        0.7303439485
  H         4.1504118719       -5.8376805636        2.4720477971
  H         3.2562382793       -4.5341366973        3.1949842042
  H         5.2999252291       -4.9518461089        4.6748413231
  H         6.2822926311       -4.7673788232        3.2116514371
  H         6.2755349794       -2.6551288611        4.6634433808
  H         4.5381099291       -2.5540262974        4.5584604069
  H         4.3493291096        0.2326579968        1.2495680342
  H         5.8281666652        2.7599667725        2.2718596172
  H         4.1830238894        2.4082196166        2.7397831891
  H         4.2323569044        3.9192712165        0.6322540308
  H         3.4286198888        2.3530314052        0.3995229841
  H         6.2816697425        3.2714151400       -0.1507259791
  H         5.0970464476        3.0016282230       -1.4520728393
  H         6.6884281553        1.1021031254       -1.4637200249
  H         5.0842482066        0.5628492864       -1.0161267534
  H         7.2771377066        1.1148849316        1.0315126198
  H         6.6739671939       -0.4781435857        0.5057661877
  H         2.2836843491        0.5255173665        2.4735782596
  H         2.1980551023       -1.9222545757        3.6440119730
  H         0.7467253853       -1.7717086773        5.8256872586
  H         2.0565337965        0.0089034251        7.2920816956
  H         1.9313815159        2.3225420820        6.1746358567
  H         0.6620724660        2.1071745121        3.8329082146
  H        -0.5005874894        0.6278456030        5.7917923432
  H        -0.7706671409       -0.1579284244        4.1814078399
 Rh        14.7382316852       19.6549970607       14.9186187996
  P        12.9241242894       19.2123956281       13.4774148197
  C        13.0811150646       20.2150618582       11.9470401233
  C        13.4944193678       21.6687370017       12.2491304795
  C        13.8097204473       22.3467601174       10.9162173568
  C        12.6664848064       22.2410365936        9.9039429110
  C        12.2625263044       20.7847329770        9.6456933759
  C        11.9112416291       20.0666597941       10.9574683043
  C        12.6438063939       17.4773956040       12.8491706109
  C        13.6718760807       17.0506505980       11.7888911954
  C        13.5748959313       15.5402721448       11.5331103920
  C        13.7760015953       14.7199673374       12.8108201583
  C        12.6541444097       15.0506895971       13.7932500449
  C        12.6791179111       16.5584341403       14.0851078859
  C        11.3074468016       19.6949330223       14.3219816281
  C        11.4946456517       19.7224743199       15.8522434836
  P        13.1402125359       20.1889102908       16.5327053138
  C        12.9382554095       21.9704451653       17.0067356339
  C        13.9903799813       22.4333282165       18.0385867429
  C        14.0443356864       23.9718663915       18.1816368557
  C        14.0718215500       24.7196641386       16.8450666252
  C        12.8942592935       24.2719776069       15.9840901350
  C        13.0708839944       22.7744495980       15.7043770646
  C        13.2904225081       19.2125435394       18.1195000432
  C        13.5582805377       17.7239453982       17.7977929247
  C        14.0211519288       16.9863668910       19.0610035841
  C        13.0061800183       17.1360353692       20.1904684005
  C        12.5888641348       18.5941064376       20.4393039019
  C        12.1561406080       19.3633634255       19.1613721462
  C        16.4262239016       19.6557855768       16.3189752254
  C        16.4669275700       20.8527829866       15.6030447471
  C        17.3593128172       20.5927340212       14.3734724624
  C        16.4992015533       19.5916769444       13.5419680151
  C        16.4845499497       18.4082297080       14.2838806211
  C        17.3151199040       18.6650832164       15.5569301513
  C        18.4050843697       19.6085579978       14.9541356274
  H        13.9957804608       19.8016375179       11.4731175266
  H        12.7542890550       22.2579064673       12.8139648758
  H        14.4164152823       21.5915050229       12.8608209167
  H        14.1149253710       23.3916013363       11.0676780972
  H        14.6615280402       21.7867070520       10.5019909960
  H        12.9897390431       22.6654952887        8.9433884114
  H        11.7937892903       22.8179060442       10.2419823058
  H        11.4370100070       20.7827293972        8.9165370670
  H        13.1014703188       20.2523417114        9.1621254214
  H        11.6740922185       19.0073516323       10.7797410425
  H        11.0141114790       20.5147913249       11.4003641748
  H        11.6337651860       17.4178406532       12.4077975126
  H        13.5450904497       17.5824677553       10.8307066411
  H        14.6863592961       17.2697431248       12.1542082852
  H        12.5890582456       15.2983585954       11.1030007898
  H        14.3418244776       15.2762745748       10.7987033722
  H        13.8555363668       13.6491378738       12.5672817196
  H        14.7412839922       14.9651468195       13.2836042674
  H        11.6797698532       14.7364957791       13.3846698784
  H        12.8152714802       14.5408673336       14.7535775884
  H        11.8269695129       16.8412808533       14.7143700035
  H        13.5976964863       16.7729758247       14.6601449930
  H        10.5197176412       18.9418536772       14.1305954450
  H        10.9441632822       20.6518399944       13.8990254795
  H        10.7356722338       20.3375702977       16.3508467946
  H        11.4028761545       18.6893647548       16.2190017907
  H        11.9002857110       22.1315076261       17.3555820725
  H        13.7888340740       22.0005099540       19.0265881093
  H        14.9500994884       21.9919898324       17.7284901065
  H        13.1450842958       24.2998560186       18.7253501584
  H        14.8758394201       24.2995571794       18.8171682389
  H        14.0795857216       25.7998440973       17.0431825474
  H        14.9734026387       24.4901029436       16.2597321546
  H        12.8653935125       24.7877351436       15.0162575232
  H        11.9493720088       24.4528830602       16.5201618013
  H        12.3455632844       22.4085498412       14.9627810342
  H        14.0818458832       22.5948025221       15.2841796665
  H        14.1804882167       19.6475036028       18.6143009668
  H        12.6212519262       17.2856752931       17.4227288079
  H        14.3012237133       17.6359529169       16.9879907980
  H        14.2370017523       15.9178244728       18.8993930738
  H        14.9740075460       17.4356268197       19.3848541402
  H        12.0839497774       16.5646951909       20.0096078233
  H        13.4655252649       16.7020319160       21.0916591815
  H        11.7904729303       18.5202199110       21.1923988296
  H        13.4310264654       19.1718484443       20.8481132049
  H        11.1842284679       18.9984913299       18.8031861838
  H        12.0487671263       20.4363491617       19.3782469568
  H        15.9614999109       19.4698110837       17.2789291315
  H        16.1634587584       21.8367046883       15.9516510719
  H        17.7590198029       21.4710449492       13.8630783411
  H        16.2901545946       19.6813339422       12.4747938034
  H        16.2606413107       17.4006112752       13.9413245159
  H        17.5789010199       17.7623895766       16.1092483022
  H        18.9636823853       19.1202748367       14.1460009991
  H        19.1109314975       20.0919228013       15.6387473442
 Rh         5.9879205548       10.0562650983       15.0047489867
  P         4.1893500640        9.5764806233       13.6404843929
  C         3.6497418962        7.8521802794       13.1086298811
  C         3.6444827314        6.9157876344       14.3186560216
  C         3.6736985783        5.4351047668       13.9019829076
  C         4.8631563786        5.0929475449       13.0019324307
  C         4.7469787730        5.8932013518       11.7029998918
  C         4.6511653191        7.3990728040       12.0334829618
  C         2.6199335969       10.2070171944       14.3998334571
  C         2.6398597274       10.1059304778       15.9245383392
  P         4.3584673755       10.6002701907       16.4994857482
  C         4.1620902050       12.3784893262       17.0189510194
  C         4.0041088279       13.2769398870       15.7606488001
  C         4.0724903684       14.7790830894       16.0890899545
  C         5.3635382087       15.0447685085       16.9002509224
  C         5.3768666497       14.2699039386       18.2329435033
  C         5.2980716894       12.7542658742       18.0038299993
  C         4.6385811275        9.6927186714       18.0652118295
  C         4.9472658781        8.2106702805       17.8253121822
  C         5.2109262911        7.4762804255       19.1347785811
  C         3.9871101036        7.5895104312       20.0558564779
  C         3.4275927817        9.8320232452       18.9859994431
  C         3.6917134804        9.0829311145       20.3002876265
  C         4.4191997717       10.5570787933       12.0787897378
  C         4.7546846446       12.0438461048       12.3459556402
  C         4.9933259351       12.7854738377       11.0093414759
  C         3.8621711459       12.6007423695        9.9847941912
  C         3.4643145162       11.1328058859        9.8125561263
  C         3.2084025489       10.4022930487       11.1440019525
  C         7.8787658058       11.2307284418       15.5971575979
  C         7.6055167678        8.6899727018       14.3519253771
  C         8.5251570599        8.9320678648       15.5674953360
  C         9.6455120885        9.7949404916       14.9098869414
  C         8.6476593759       10.8186831365       14.3180031630
  C         7.7673556501       10.0437548564       16.3440203393
  C         7.6694837794        9.8709147543       13.6017893268
  H         2.6077207176        7.9371236077       12.7479686455
  H         4.5343112077        7.1288788699       14.9225088428
  H         2.7635743082        7.1243036100       14.9404614422
  H         2.7709884963        5.1585076913       13.3387936581
  H         3.6948498884        4.8347509181       14.8147452419
  H         5.8189321725        5.3594544278       13.4769101515
  H         4.8922123362        4.0017426907       12.8496192663
  H         5.6162524718        5.7102151722       11.0543261600
  H         3.8755419025        5.5741133518       11.1170156848
  H         4.4265818825        7.9647646065       11.1303659518
  H         5.6326111760        7.7371151966       12.3946571718
  H         2.5065653843       11.2538225291       14.1012005309
  H         1.7947947354        9.6359628420       13.9660186655
  H         1.8734022029       10.7588337599       16.3653037738
  H         2.3783226212        9.0951885177       16.2654001024
  H         3.1891030266       12.4372082812       17.5367740668
  H         4.7612723834       13.0473131306       14.9991359158
  H         3.0197589655       13.0275361133       15.3316006349
  H         3.9511056682       15.3715368711       15.1577173161
  H         3.1849108963       15.0401115467       16.6812077303
  H         5.5571017176       16.1047522805       17.1116700662
  H         6.2580776333       14.7124619722       16.3464532532
  H         6.3066515991       14.5245474383       18.7596091530
  H         4.5736119537       14.5870291573       18.9149621330
  H         6.2678897809       12.3886994729       17.6331298077
  H         5.1574494305       12.2183952614       18.9588875316
  H         5.4886365407       10.1839175925       18.5661534982
  H         5.7708646690        8.0436186053       17.1223411408
  H         4.0352170630        7.7853624917       17.3988773245
  H         6.0625483162        7.9537831569       19.6496321690
  H         5.5047165497        6.4409106813       18.9024699274
  H         4.1990560069        7.0695329475       20.9975196054
  H         3.0788109961        7.1060100189       19.6618736900
  H         3.1940847843       10.9037076745       19.1030267355
  H         2.5419469019        9.3657383488       18.5292725581
  H         4.5593175762        9.5019283633       20.8336160675
  H         2.7977790040        9.1829821813       20.9242392970
  H         5.2791759737       10.0809691867       11.5790855920
  H         5.6495253152       12.1543278592       12.9853682591
  H         3.9402328876       12.5003400376       12.9264779124
  H         5.1141344933       13.8629214753       11.1840178976
  H         5.9449703828       12.4286211744       10.5903107424
  H         4.1672978158       12.9858074953        8.9946437122
  H         3.0019670347       13.2063803831       10.2950383622
  H         2.6268368431       11.0537784404        9.0999277901
  H         4.3093175451       10.6143570463        9.3330880269
  H         2.3060887853       10.7416846378       11.6649957533
  H         3.0616629722        9.3346799408       10.9524852283
  H         7.8667965802       12.2561496057       15.9902327546
  H         7.2338907072        7.7187142652       14.0362421399
  H         8.7803802830        8.0759323633       16.2013872131
  H        10.3487353313       10.2233239089       15.6397307175
  H        10.1818649503        9.3290783883       14.0749435895
  H         9.0717192704       11.5825687717       13.6560479359
  H         7.5026041956        9.9529680531       17.3945363332
  H         7.3416655039       10.0625195811       12.5902694760
 Rh        12.6202075081        9.6800917165        4.6766633000
  P        14.2801551437       10.1222372927        6.1563746877
  C        14.3984062407       11.9118578113        6.6847940090
  C        14.7620369365       12.8574647057        5.5240616052
  C        14.7828842380       14.3199250125        5.9913617476
  C        13.5064854391       14.7041586775        6.7440802987
  C        13.2726325523       13.8113387341        7.9730616307
  C        13.1445933341       12.3580939766        7.4614500483
  C        15.9438023880        9.7083605638        5.4083797412
  C        15.8563679947        9.9074686796        3.8884241556
  P        14.2341092430        9.3824408735        3.1806006315
  C        14.2830245605        7.5907555017        2.7055875302
  C        14.5375320670        6.6912275378        3.9220148975
  C        14.4464079833        5.1994294019        3.5800967663
  C        13.0941851627        4.9055844316        2.8780244955
  C        12.9814746940        5.7517255775        1.5899580420
  C        13.0145655425        7.2517911848        1.9086489848
  C        14.1427155193       10.3198247854        1.5829717039
  C        13.9524460075       11.8210226665        1.8261268134
  C        13.5290260244       12.5070996121        0.5294382489
  C        14.5563472562       12.2332816508       -0.5650379590
  C        15.2582982213       10.0927369876        0.5316456426
  C        14.7775872821       10.7229436671       -0.8042917886
  C        14.1206147426        9.2682276127        7.7699029270
  C        13.7163008717        7.7768491152        7.6679230912
  C        13.3315449020        7.1355490161        9.0163703820
  C        14.5805676429        7.2440369017        9.9398504125
  C        15.0192624363        8.7360120930        9.9911942523
  C        15.3426541529        9.4400963284        8.6624350113
  C        10.7202002104        9.9422632363        3.6024803537
  C        10.8245760573        9.1279818680        6.1854460406
  C         9.6757581833       10.0176362588        5.7561926229
  C         8.8086763036        9.0458676457        4.8878151613
  C        10.0488826155        8.5808232392        4.0744333839
  C        10.0732047168       10.9560909574        4.5672570931
  C        11.0002518199        8.1713255204        5.1859528676
  H        15.2790861585       11.8793254637        7.3483194688
  H        14.0720921109       12.7494587384        4.6722380243
  H        15.7627593874       12.5598722888        5.1748938374
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  H        16.7565436291        9.4994404192        3.3967369704
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  H        13.7892255778        6.8722324565        4.7055504313
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  H        14.6541733028        4.6353238938        4.5073698872
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  H        13.8177732629        5.5474154959        0.9051645963
  H        12.0924029722        7.5492859435        2.4311792948
  H        13.0531985783        7.8733213993        1.0029059675
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  H        13.2218757269       12.0340635954        2.6124339991
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  H        16.2116739473       10.5689701330        0.8108582382
  H        13.8705881645       10.1907035389       -1.1325980016
  H        15.5216304623       10.5847765218       -1.6037032269
  H        13.3330673363        9.8772245738        8.2583992376
  H        12.9724135828        7.6129214465        6.8787933674
  H        14.5934153343        7.1948793444        7.3421006595
  H        12.9376751167        6.1227662528        8.7921115139
  H        12.4954012942        7.6384271481        9.5286569249
  H        14.3530959005        6.9494869194       10.9803145424
  H        15.3982614760        6.5862925462        9.6066110976
  H        15.8545693146        8.9238333507       10.6711294927
  H        14.1411890158        9.2565507669       10.4093521085
  H        16.2509124751        9.0780525297        8.1538050707
  H        15.5384003187       10.5151988669        8.8361959260
  H        10.6425705607       10.0666486774        2.5263687875
  H        11.1343329842        9.1694033723        7.2207149306
  H         9.2643339270       10.5373200466        6.6180978833
  H         8.0504563612        9.6104604542        4.3414751256
  H         8.2752325198        8.2048928586        5.3466465532
  H         9.9229587616        7.8836772035        3.2511429004
  H         9.1109250548       11.3065504125        4.1792481961
  H        11.5233652236        7.2114930645        5.1852416235
  F         8.4585263893       11.6063793126        1.4575636466
  C         7.2089195399       11.2454854788        1.0393575536
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  F         7.3208447376       10.8339179549       -0.2838107156
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  C         7.1162487708        8.8821087821        1.7306820735
  C         6.5064537673        7.8730650134        2.4707217405
  C         5.5351490896        8.1807156998        3.4369958035
  C         5.1446320323        9.5078892935        3.7331361356
  C         5.7051770198       10.5032924696        2.8960371932
  B         4.2361573139        9.8691697285        5.0632028986
  C         3.2256327406        8.6825670855        5.5268519840
  C         2.5266142612        7.8685288312        4.6363334202
  C         1.6449806751        6.8716576525        5.0775454434
  C         1.3288825566        6.7389562580        6.4417516569
  C         1.9479632614        7.6319227516        7.3370309279
  C         2.9122887955        8.5466034660        6.8842632196
  C         1.6059104185        7.5482529397        8.8066164968
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  F         2.6883775182        7.1633494558        9.5497864756
  F         1.1737441441        8.7396540127        9.3230571905
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  F         2.2222502395        5.2471325558        3.4515760471
  F         0.2301332031        5.0585324035        4.3425737843
  F         0.6578817335        6.7203991748        2.9395672864
  C         5.3678339273       10.1868192300        6.2203992319
  C         5.9988801305        9.1600468742        6.9383795402
  C         6.9336189439        9.3970242122        7.9459825015
  C         7.3605366923       10.6876659227        8.2606705022
  C         6.8172638522       11.7313894496        7.4933102868
  C         5.8212162683       11.4814443055        6.5319073417
  C         7.3166689652       13.1420435396        7.6968175674
  F         7.8332968999       13.3469903635        8.9459281422
  F         6.3385321327       14.0808794870        7.4874614282
  F         8.3225479941       13.4831909822        6.8168388528
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  F         8.4403359979        8.2275889893        9.3915133325
  F         7.4220864570        7.0991436526        7.7837484932
  F         6.2859263615        7.7402216171        9.5343373441
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  C         2.5911012912       11.2653565397        3.5587551697
  C         1.6753179110       12.2931498574        3.2965255010
  C         1.3024666999       13.2083869650        4.2678012382
  C         1.8368713647       13.0332721121        5.5444914956
  C         2.7327073498       11.9778456444        5.8221546524
  C         1.1022166915       12.3884368992        1.9243218906
  F         0.9989616417       11.1612983901        1.3254908103
  F         1.8755497611       13.1625292604        1.1014168602
  F        -0.1716866245       12.9042194863        1.9190174909
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  F         7.6071254661        6.2425514545        1.1076419510
  F         7.4884644704        5.8848939686        3.3007555532
  F         5.7071087671        5.6372764513        2.0560142883
  F         0.7532686300       15.0352306807        6.2537387923
  F         0.9459007940       13.3787608637        7.7174803738
  F         2.7161677573       14.5651389701        7.1269733015
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  H         7.9071470250        8.6720771120        1.0177828192
  H         5.0528962940        7.3426461754        3.9434434980
  H         5.4339761592       11.5555099449        3.0075885309
  H         2.7070423791        7.9969644812        3.5699421139
  H         0.6377917041        5.9878783202        6.8398558664
  H         3.4828567811        9.1958000346        7.5453569903
  H         5.7421417206        8.1156901794        6.7964307033
  H         8.0385274006       10.9161942540        9.0803568533
  H         5.3402451839       12.3276144139        6.0451148027
  H         2.8363501814       10.5790721177        2.7553165377
  H         0.5762754182       13.9838866047        4.0183696615
  H         3.1216078564       11.8955572366        6.8397155929
  F         9.9773255330        8.3847754110       18.4778414211
  C        11.2676818792        8.6586817656       18.8623572052
  F        11.9405787753        7.4765068870       18.8312242051
  F        11.2209722119        9.0216172872       20.1828174756
  C        11.8446534793        9.7502150586       18.0210047850
  C        11.3694859988       11.0506301992       18.2082257481
  C        11.8543345981       12.0263434160       17.3359706162
  C        12.7319270940       11.7004305720       16.2917124865
  C        13.2414975000       10.4069091692       16.1112934283
  C        12.7797379499        9.4458989885       17.0291929665
  B        14.1507348236        9.9818209318       14.8133071642
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  C        15.8130017763       11.9919449549       15.3014970292
  C        16.7086873224       12.9823055997       14.8779658950
  C        17.0753933416       13.1096340838       13.5353387651
  C        16.4917553092       12.2603661814       12.5868560174
  C        15.5352852959       11.3267479026       13.0110179878
  C        16.8244689500       12.3896285696       11.1052941734
  F        17.8285949427       13.2750221106       10.8448167538
  F        15.7447929452       12.8186177037       10.3439384689
  F        17.2242168662       11.1969650015       10.5488741551
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  F        16.2472382627       14.6768662340       16.4873501734
  F        18.1435966652       14.8404698826       15.3913930131
  F        17.8453611742       13.2607564267       16.9332923350
  C        13.0857219040        9.6065722855       13.5849684576
  C        12.4847706705       10.6475357485       12.8371301284
  C        11.5009624864       10.4195836030       11.8576152749
  C        11.0046978168        9.1283781019       11.6466462414
  C        11.6117972587        8.0782647265       12.3427017291
  C        12.6514945322        8.3013039132       13.2527922781
  C        11.0232015047        6.7031019116       12.2143058114
  F        10.4892066864        6.4958540017       10.9826333028
  F        11.9208855657        5.6956341211       12.4554301618
  F        10.0082825202        6.5024607530       13.1238862822
  C        10.9178854186       11.5343009797       11.0214021152
  F         9.7406004895       11.1807613148       10.4119375050
  F        10.6264366931       12.6613154621       11.7335296883
  F        11.7490568574       11.8919428058        9.9853137150
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  C        15.8682556503        8.6147588257       16.3222945292
  C        16.7922039982        7.5817201967       16.4829303488
  C        17.0872168460        6.7024446674       15.4439948824
  C        16.4765437505        6.8647975700       14.2119923651
  C        15.5436999757        7.9068596447       14.0497161601
  C        17.4700194120        7.2576902512       17.7700667426
  F        17.6190111417        8.3253719216       18.6150524677
  F        16.7993504091        6.2756958783       18.4639305187
  F        18.7201016549        6.7466349175       17.5216224554
  C        11.3816502400       13.4398235703       17.4366090149
  F        10.7827353314       13.6783483240       18.6290488828
  F        10.4782731945       13.7384454394       16.4278911565
  F        12.4010112113       14.3425873895       17.3011318755
  F        17.6271264625        4.8903759932       13.4751410556
  F        17.3727748865        6.5370857111       12.0142640703
  F        15.6554266894        5.2800647873       12.6011089994
  C        16.7852453869        5.9047979000       13.0826528448
  H        10.6297028102       11.2885370965       18.9745956824
  H        12.9557049353       12.4876466913       15.5732567740
  H        13.1356324426        8.4267575257       16.9539660993
  H        15.6387178419       11.8386098042       16.3685567435
  H        17.7942885214       13.8701866228       13.2524012852
  H        15.0458359879       10.6953795476       12.2708919252
  H        12.7868184701       11.6685016083       13.0738782127
  H        10.1242645735        8.9515675199       11.0319811935
  H        13.0784793609        7.4095973463       13.7188049019
  H        15.7039689891        9.3299058436       17.1232526396
  H        17.7952155581        5.9056307698       15.6369666421
  H        15.0721558723        8.0708837411       13.0820959835
  F         2.7278217592       18.6281549305       20.1197722220
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  F         3.3576450741       17.1020374805       18.6406489257
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  C         4.1182387907       19.0629212887       16.8690977984
  C         4.6671246777       20.0181288272       15.9799386962
  C         4.2646970952       21.3412547109       16.2089504399
  C         3.4691951827       21.6894520385       17.3022896654
  C         2.9836132675       20.7464628600       18.2021508201
  C         2.9337115041       23.0730773987       17.4398372427
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  F         3.9028700092       24.0306819952       17.3148618723
  F         1.9907727089       23.2911554647       16.4470981578
  B         5.6108125491       19.6331178292       14.6779736035
  C         6.6954912285       18.4626818342       14.9804741239
  C         7.3281839337       18.3433204103       16.2301115131
  C         8.2689553643       17.3419453862       16.4769908998
  C         8.6202701120       16.4318195216       15.4877199168
  C         8.0343118524       16.5577291685       14.2268262312
  C         7.1241220408       17.5980270157       13.9589977477
  C         8.4064687694       15.5965235628       13.1372693063
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  F         9.2065042637       14.5690802102       13.5673987965
  F         9.1065167731       16.2383248497       12.1534706721
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  F        10.0184614799       16.5648319481       17.8933833371
  F         7.9737585829       16.3981927912       18.6777695296
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  C         7.2167525291       21.6504443409       15.2558756233
  C         8.1866645634       22.5998732554       14.9188414041
  C         8.6241579030       22.7485421148       13.5951935660
  C         8.0419720840       21.9461825188       12.6091432574
  C         7.0934074288       20.9820278502       12.9630280195
  C         8.3874136281       22.1077939025       11.1525066100
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  F         9.3638519509       23.0330812426       10.9301744225
  F         7.3144841808       22.5079079216       10.3766983121
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  F         7.6888367041       24.3495549164       16.5029478401
  F         9.2766194507       22.8950772512       17.0008854078
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  C         4.0788653958       17.9363238370       13.2665076821
  C         3.1099795022       17.6699009867       12.2874549559
  C         2.6002370124       18.6697918600       11.4679292708
  C         3.0188268253       19.9911930496       11.6826204187
  C         4.0065404453       20.2483209814       12.6472614118
  C         2.3921404383       21.1146457777       10.8844218174
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  F         1.0831165147       21.3889236303       11.2371473590
  F         3.0306734553       22.3149495440       11.0096481328
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  F         1.9255069980       16.0479792847       10.9667565168
  F         3.4230778683       15.3088831428       12.4005305788
  F         1.5205886425       16.1203482736       13.1329929068
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  H         4.5524818119       22.1002250948       15.4862478068
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  H         6.7224384961       17.7804082516       12.9556193780
  H         6.8340766719       21.5951335204       16.2739430699
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  H         4.4435780805       17.0915149282       13.8539175547
  H         1.9298526252       18.3349871792       10.6781940375
  H         4.3727376753       21.2656980496       12.7520937633
  F        15.6669728699        1.2838703239       -0.3090143204
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  F        15.0368331859        2.8301184874        1.1500403654
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  C        14.3270782598        0.9385900557        3.0152394220
  C        13.8101488941       -0.0280865681        3.9080102190
  C        14.2320097068       -1.3503638926        3.6962660618
  C        15.0145602838       -1.7158467628        2.5867154714
  C        15.4246072006       -0.7631728581        1.6528903000
  C        15.4906611201       -3.1280427771        2.3839737525
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  F        14.4845830350       -4.0484056262        2.4825866740
  F        16.4151715498       -3.4456247513        3.3570632214
  B        12.8212504749        0.2490186338        5.2032603946
  C        11.7144453933        1.4244281281        4.9322813087
  C        11.1437142364        1.4961509138        3.6453677505
  C        10.1824303152        2.4689258177        3.3132893313
  C         9.7325367327        3.3671460335        4.2933697828
  C        10.2870910304        3.3084938375        5.5793508448
  C        11.2563464044        2.3443029715        5.8880646795
  C         9.9487900828        4.3002028957        6.6650679188
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  F         9.1802775008        5.3412746229        6.2281140386
  F         9.2906385545        3.6849935656        7.6990341228
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  F         9.4837897612        1.5362551939        1.2343438137
  F         8.4013416530        3.3389401507        1.9066110913
  F        10.4356504322        3.5187694287        1.1133392224
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  C        11.3176804068       -1.9182823190        4.5982468364
  C        10.3132162019       -2.8373637767        4.9136523372
  C         9.8233012738       -2.9943981634        6.2110008221
  C        10.3300158761       -2.1245796073        7.1854682693
  C        11.2911120546       -1.1641589375        6.8494735669
  C         9.9568838584       -2.2028379823        8.6413724048
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  F         8.9321563043       -3.0618449151        8.8695956384
  F        11.0111937740       -2.6042917482        9.4377640401
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  F         8.8073684826       -4.5645957296        4.3129740902
  F        10.7101893831       -4.4526968252        3.2113122288
  F         9.1304493975       -2.9628920880        2.8500041432
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  C        14.3715303036        1.8807380744        6.6092247005
  C        15.3203106036        2.1884685280        7.5978446420
  C        15.8048050929        1.1664723281        8.4187288492
  C        15.3916426071       -0.1401035077        8.1452483581
  C        14.4674413549       -0.4495214694        7.1550089967
  C        16.0204670341       -1.2311634011        8.9303032912
  F        16.0423902680       -0.8737532975       10.2606716522
  F        17.3233340672       -1.4853338211        8.5642248845
  F        15.3700189202       -2.4172732943        8.7928510418
  C        15.8982410623        3.5807800160        7.6617036257
  F        16.4759365476        3.8688981675        8.8622786495
  F        14.9585810528        4.5409141287        7.3997275511
  F        16.8673230395        3.7876794517        6.6782684191
  H        14.0879835000        1.9960225893        3.1390398738
  H        13.8342646078       -2.0816317881        4.4015190627
  H        15.9621138306       -1.0857964486        0.7621810857
  H        11.5523749565        0.7843654772        2.9286523914
  H         8.9937775252        4.0943739035        3.9686939667
  H        11.7123623080        2.3651522576        6.8789905677
  H        11.7122744452       -1.9416102385        3.5834261952
  H         9.1547828456       -3.8294152844        6.4057065588
  H        11.6465857880       -0.5402408441        7.6664072447
  H        14.0097915106        2.6773317784        5.9578554851
  H        16.5253796995        1.3524620516        9.2090103814
  H        14.2241826171       -1.4998463776        6.9766263505
  H        10.7084154563       11.8183612379        4.7790481814
  H        12.0482496533       10.5065399539        3.4812727647
     646
 i =       29, E =         0.0334742034
 Rh         3.6081194601        0.2508820175        4.8252828760
  P         5.3597915335        0.6289479248        6.2719532809
  C         5.3045098874       -0.2838365820        7.8830730346
  C         4.7893907450       -1.7187497119        7.6470560779
  C         4.4871888372       -2.4081596748        8.9836331573
  C         5.6745224014       -2.2363189343        9.9461743518
  C         6.1863322980       -0.8038977040       10.1565883466
  C         6.5350485191       -0.1533087808        8.8148238515
  C         5.6476808323        2.3847950464        6.7721882489
  C         4.6758007404        2.7954128111        7.9098478020
  C         4.6356401490        4.3123177177        8.1578886429
  C         4.5371517658        5.1082483696        6.8579807929
  C         5.7360310259        4.7885676906        5.9683034029
  C         5.5783149181        3.3220744194        5.5388493817
  C         6.9699690485        0.0850116225        5.4686385306
  C         6.9100770146        0.2177782188        3.9470166484
  P         5.2895648575       -0.2504303675        3.2523117226
  C         5.4900623900       -2.0371443367        2.7280725160
  C         4.3333840146       -2.4563263573        1.7980169189
  C         4.3860857073       -3.9464670733        1.4364022603
  C         4.2225478132       -4.7719177630        2.7257514928
  C         5.3597309422       -4.4274988930        3.7059682702
  C         5.4262122624       -2.9036323906        4.0041153997
  C         5.2297693789        0.7293229120        1.6929591380
  C         4.9199523547        2.2425825587        1.9304125999
  C         4.4020542860        2.8296071187        0.6023912448
  C         5.4557271491        2.6210421053       -0.4920452182
  C         5.9301760335        1.1750739374       -0.6672787983
  C         6.3995913815        0.5736690454        0.6714380017
  C         1.9033393037        0.2808314782        3.4610589429
  C         1.9039182789       -0.9732988945        4.0783036260
  C         1.0528594013       -0.8416733116        5.3439220717
  C         1.8879234292        0.1191040075        6.2280111357
  C         1.8419455180        1.3776247539        5.6220174043
  C         1.0115911794        1.1946145097        4.3288250148
  C        -0.0286501029        0.1878866346        4.8996616602
  H         4.4982706945        0.2044965474        8.4537363186
  H         5.5035793185       -2.3639305912        7.1153339181
  H         3.9137685956       -1.6509688453        6.9766836463
  H         4.3590310850       -3.4811749771        8.7747525887
  H         3.5587184887       -2.0570596662        9.4601922072
  H         5.4349897337       -2.6686046182       10.9222993571
  H         6.5169924973       -2.8152486404        9.5413293633
  H         7.0991258663       -0.8538086612       10.7727163946
  H         5.4819596035       -0.1518488131       10.7010599063
  H         6.8125627964        0.8979967207        9.0047648362
  H         7.4281473448       -0.6651079204        8.4378111843
  H         6.6751353958        2.3597905374        7.1742819328
  H         4.9767836837        2.2741196426        8.8335788423
  H         3.6556459668        2.4700592203        7.6602080730
  H         5.5428554155        4.6206501541        8.6966961821
  H         3.7735385182        4.5881265034        8.7813644631
  H         4.4817858768        6.1770809622        7.0868003271
  H         3.5973507170        4.8621574481        6.3307407638
  H         6.6589210689        4.9416640024        6.5518001625
  H         5.7981481600        5.4703231539        5.1081148338
  H         6.3206425329        3.0279665712        4.7844326213
  H         4.5926935763        3.2301177160        5.0436472566
  H         7.8054747162        0.7051423687        5.8083490247
  H         7.1455508949       -0.9438525385        5.8115325627
  H         7.6990158419       -0.3217836704        3.4026809063
  H         7.0045390570        1.2840716794        3.6880078504
  H         6.4820107488       -2.1503278352        2.2628945513
  H         4.2284132649       -1.8218127557        0.9080366375
  H         3.4305651051       -2.3123305700        2.4111801620
  H         5.3242146092       -4.1625928214        0.9015514797
  H         3.5952299077       -4.2139995321        0.7216649960
  H         4.1478112049       -5.8379637337        2.4646588285
  H         3.2514182950       -4.5347054630        3.1844240039
  H         5.2907864603       -4.9517208382        4.6719267238
  H         6.2772415975       -4.7687437536        3.2116084703
  H         6.2684074951       -2.6559363422        4.6629498392
  H         4.5316844686       -2.5526594294        4.5527238033
  H         4.3553533960        0.2350297019        1.2454306004
  H         5.8349323819        2.7625362763        2.2661934792
  H         4.1914878341        2.4120438394        2.7404507399
  H         4.2340727562        3.9185046476        0.6274492478
  H         3.4291070286        2.3512904387        0.4028391958
  H         6.2795885558        3.2711570306       -0.1562575434
  H         5.0941675417        2.9960584785       -1.4556676545
  H         6.6893354102        1.1009966662       -1.4666111326
  H         5.0880790061        0.5573912859       -1.0138279847
  H         7.2817483696        1.1209819162        1.0295670682
  H         6.6842474697       -0.4751531419        0.5074412008
  H         2.2865887162        0.5296630244        2.4748489297
  H         2.1998242575       -1.9215002325        3.6383482282
  H         0.7474842132       -1.7781498991        5.8190610384
  H         2.0500861466        0.0030841551        7.2911140441
  H         1.9197876941        2.3169893087        6.1811861080
  H         0.6579409225        2.1047805921        3.8339928733
  H        -0.4992458265        0.6216364911        5.7938580639
  H        -0.7750393813       -0.1598777043        4.1824754859
 Rh        14.7374990380       19.6557584304       14.9174287032
  P        12.9206881878       19.2118307031       13.4776021736
  C        13.0771968283       20.2150278134       11.9480691011
  C        13.4924619994       21.6681013136       12.2503289738
  C        13.8084043240       22.3442488938       10.9167469474
  C        12.6662604431       22.2380963503        9.9032519332
  C        12.2631047301       20.7816439948        9.6448945578
  C        11.9089329691       20.0651607317       10.9566970624
  C        12.6400034397       17.4777454046       12.8466541826
  C        13.6677157249       17.0508490100       11.7860361956
  C        13.5711676820       15.5399222784       11.5331159671
  C        13.7767905702       14.7224238641       12.8120545896
  C        12.6545202571       15.0512138032       13.7947443876
  C        12.6757776201       16.5596420462       14.0830946969
  C        11.3042062447       19.6926253719       14.3249537083
  C        11.4955548427       19.7260621893       15.8548420791
  P        13.1414155217       20.1914076411       16.5344035503
  C        12.9405892209       21.9735045930       17.0062967491
  C        13.9894774543       22.4391409544       18.0405060065
  C        14.0442568006       23.9786119551       18.1779400010
  C        14.0711210718       24.7234753894       16.8395014436
  C        12.8952041333       24.2710086044       15.9786618685
  C        13.0794166871       22.7737623270       15.7022081105
  C        13.2888587920       19.2145101535       18.1217666650
  C        13.5559222851       17.7259528899       17.7986946317
  C        14.0219136925       16.9880675885       19.0605784744
  C        13.0094788543       17.1369270857       20.1923738250
  C        12.5887315829       18.5941505343       20.4411681999
  C        12.1543918901       19.3644752990       19.1639366432
  C        16.4233426387       19.6567967640       16.3195394051
  C        16.4658428128       20.8531439760       15.6028064293
  C        17.3602422421       20.5916720958       14.3749743904
  C        16.5008441320       19.5896526467       13.5432362645
  C        16.4851079660       18.4070946954       14.2866435011
  C        17.3137696583       18.6653893890       15.5606638987
  C        18.4049360448       19.6074643571       14.9572889120
  H        13.9926268384       19.8020433428       11.4749633389
  H        12.7552279041       22.2592779271       12.8169538732
  H        14.4155579691       21.5879246260       12.8603822460
  H        14.1153628834       23.3888099587       11.0664614701
  H        14.6592680125       21.7814859572       10.5039810806
  H        12.9911933420       22.6619161171        8.9429441423
  H        11.7927353505       22.8148167794       10.2394054726
  H        11.4398926134       20.7791911256        8.9130646762
  H        13.1035317255       20.2489211273        9.1641135322
  H        11.6728408412       19.0054365610       10.7799468422
  H        11.0106065286       20.5131890736       11.3971312297
  H        11.6298606453       17.4183882657       12.4054009778
  H        13.5402183687       17.5809945566       10.8269308779
  H        14.6823709054       17.2708967004       12.1503440605
  H        12.5840143824       15.2964102884       11.1067524511
  H        14.3358659447       15.2751943329       10.7967149957
  H        13.8609562197       13.6513845915       12.5707196910
  H        14.7413261877       14.9728406906       13.2837940192
  H        11.6807502031       14.7326171514       13.3880738615
  H        12.8187234432       14.5447055648       14.7563086888
  H        11.8228064704       16.8427234919       14.7110661798
  H        13.5937988362       16.7767078236       14.6580545076
  H        10.5192715567       18.9347330870       14.1402814472
  H        10.9345081330       20.6456056313       13.8982946157
  H        10.7382372115       20.3425064801       16.3542167974
  H        11.4053233998       18.6939054743       16.2244780628
  H        11.9011324380       22.1369256325       17.3500369442
  H        13.7839316810       22.0109551968       19.0298242925
  H        14.9494217986       21.9945494623       17.7355206150
  H        13.1450061143       24.3084111040       18.7205526962
  H        14.8753948072       24.3089274356       18.8126954267
  H        14.0770818786       25.8040408286       17.0353655143
  H        14.9729665929       24.4945719574       16.2543427627
  H        12.8636541007       24.7855315251       15.0103303192
  H        11.9493512081       24.4479008920       16.5145403011
  H        12.3617221282       22.4026070559       14.9556829362
  H        14.0945302952       22.5968970500       15.2903410960
  H        14.1781197940       19.6487607695       18.6186894772
  H        12.6176590821       17.2884549083       17.4258170710
  H        14.2966360427       17.6381699268       16.9867729620
  H        14.2383901322       15.9196547694       18.8989288805
  H        14.9750405076       17.4382597794       19.3823535808
  H        12.0882284879       16.5629026467       20.0154160086
  H        13.4729099439       16.7052497701       21.0925949492
  H        11.7910045275       18.5169940587       21.1946239464
  H        13.4294861500       19.1739688509       20.8498558543
  H        11.1816665238       19.0011741570       18.8063742261
  H        12.0482926339       20.4373112897       19.3820517717
  H        15.9528283688       19.4703961733       17.2767209608
  H        16.1611540066       21.8374014453       15.9497963045
  H        17.7616449708       21.4692509439       13.8645012240
  H        16.2948734235       19.6771659485       12.4751320787
  H        16.2632101064       17.3987629653       13.9448175722
  H        17.5759502038       17.7634666526       16.1150068871
  H        18.9622701384       19.1175622061       14.1491207862
  H        19.1122727607       20.0913341887       15.6400581069
 Rh         5.9897881257       10.0567386601       15.0040984359
  P         4.1898609420        9.5734092401       13.6426431723
  C         3.6441633345        7.8505828599       13.1090860446
  C         3.6362888117        6.9122240827       14.3174534700
  C         3.6690934908        5.4321641875       13.8982872996
  C         4.8620921770        5.0925861299       13.0017894646
  C         4.7464572645        5.8920194228       11.7022936586
  C         4.6450250639        7.3975539911       12.0333093365
  C         2.6212981968       10.2056919678       14.4012163877
  C         2.6412707505       10.1057318622       15.9256567464
  P         4.3606746784       10.6013366412       16.4977470224
  C         4.1624406205       12.3789951110       17.0176442865
  C         3.9997440622       13.2780904682       15.7601992872
  C         4.0692335440       14.7799720200       16.0897691190
  C         5.3631434033       15.0438921277       16.8974677392
  C         5.3791054477       14.2702676140       18.2309202496
  C         5.2983596502       12.7546283165       18.0029320510
  C         4.6431136475        9.6952388030       18.0632847268
  C         4.9547828366        8.2137671341       17.8244211072
  C         5.2172699652        7.4805504117       19.1347123257
  C         3.9898820450        7.5905828418       20.0517324945
  C         3.4293488602        9.8315762616       18.9805502602
  C         3.6917335979        9.0836783218       20.2955254043
  C         4.4207910072       10.5546569801       12.0814953921
  C         4.7528974733       12.0423477020       12.3486989181
  C         4.9884039193       12.7858158307       11.0122528396
  C         3.8595434692       12.5959334486        9.9858891031
  C         3.4657100577       11.1267545852        9.8150979036
  C         3.2109831179       10.3959369971       11.1463156512
  C         7.8840818510       11.2321524697       15.5945648698
  C         7.6061245181        8.6878480273       14.3536423173
  C         8.5268150783        8.9317968865       15.5680648984
  C         9.6477457710        9.7921480057       14.9078897385
  C         8.6506981173       10.8159923460       14.3150064638
  C         7.7706395570       10.0460662449       16.3428738107
  C         7.6705694248        9.8680522849       13.6015950853
  H         2.6020284842        7.9399985297       12.7496925045
  H         4.5236996359        7.1254860798       14.9244533835
  H         2.7530259614        7.1183790693       14.9367682527
  H         2.7691954817        5.1548256588       13.3308761023
  H         3.6873820227        4.8305006514       14.8102189903
  H         5.8161511696        5.3625463931       13.4783353730
  H         4.8947465120        4.0012533422       12.8508938746
  H         5.6188055452        5.7128972440       11.0565934985
  H         3.8786423705        5.5691944001       11.1128700937
  H         4.4190954103        7.9628723296       11.1303767900
  H         5.6252772622        7.7381363940       12.3948991441
  H         2.5086343439       11.2523228829       14.1021508370
  H         1.7964508692        9.6344546238       13.9673650158
  H         1.8754363920       10.7597620423       16.3657570502
  H         2.3786376082        9.0956820327       16.2676563945
  H         3.1897806825       12.4357679253       17.5361696886
  H         4.7529224455       13.0495228512       14.9945673415
  H         3.0131786593       13.0287266992       15.3360260078
  H         3.9444228648       15.3732492548       15.1592586253
  H         3.1834320671       15.0403697359       16.6848310001
  H         5.5608053551       16.1034725254       17.1072166199
  H         6.2552136441       14.7079379071       16.3419298240
  H         6.3109153911       14.5246060736       18.7541071033
  H         4.5786329605       14.5884964338       18.9156727144
  H         6.2681362238       12.3872377263       17.6340021244
  H         5.1557051229       12.2196952238       18.9582467393
  H         5.4907539624       10.1891337942       18.5656662944
  H         5.7786846342        8.0465521517       17.1220736835
  H         4.0432300230        7.7876211433       17.3978830910
  H         6.0652040735        7.9615001978       19.6525786382
  H         5.5161223799        6.4464274402       18.9030365577
  H         4.1993714553        7.0705572515       20.9939140020
  H         3.0834214468        7.1060810885       19.6545832269
  H         3.1916313518       10.9026898374       19.0952806077
  H         2.5468570099        9.3617401101       18.5212573947
  H         4.5580719143        9.5035691377       20.8301628729
  H         2.7962642568        9.1830571327       20.9173838236
  H         5.2821913848       10.0802975267       11.5825797057
  H         5.6485536569       12.1550673679       12.9866296415
  H         3.9383077997       12.4960734720       12.9310833633
  H         5.1029030830       13.8639288632       11.1873948986
  H         5.9426702362       12.4346050238       10.5944584036
  H         4.1657961556       12.9792424736        8.9953744380
  H         2.9973016882       13.2004680364       10.2926813993
  H         2.6296534112       11.0444560618        9.1010967693
  H         4.3130245462       10.6101499003        9.3375963644
  H         2.3067038969       10.7302505505       11.6672464072
  H         3.0694777753        9.3276934792       10.9544217159
  H         7.8773722579       12.2578468212       15.9876640596
  H         7.2335220344        7.7164463059       14.0398901346
  H         8.7811964695        8.0772217414       16.2045453590
  H        10.3526613467       10.2207271756       15.6360426626
  H        10.1824638768        9.3249601645       14.0725785070
  H         9.0755361616       11.5769236295       13.6499248409
  H         7.5058422499        9.9569999495       17.3934333037
  H         7.3407034166       10.0593733898       12.5908697739
 Rh        12.6256772671        9.6743289623        4.6797147297
  P        14.2820421221       10.1214454402        6.1555558546
  C        14.3987628315       11.9117615020        6.6841020453
  C        14.7593108232       12.8578375659        5.5227704898
  C        14.7781877898       14.3205598726        5.9892963543
  C        13.5043996242       14.7023140056        6.7479056983
  C        13.2782058565       13.8101574746        7.9789502720
  C        13.1479135716       12.3572702730        7.4663647866
  C        15.9463565351        9.7090951761        5.4071895237
  C        15.8579716284        9.9101524910        3.8875472125
  P        14.2372211858        9.3818950392        3.1796443597
  C        14.2833987079        7.5902778909        2.7041187157
  C        14.5386670348        6.6900601618        3.9198953906
  C        14.4461896763        5.1986934043        3.5769405412
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  H         8.2760818895        8.2066942584        5.3438440639
  H         9.9251906248        7.8854728156        3.2504327003
  H         9.1081412026       11.2995477896        4.1779879641
  H        11.5212527324        7.2077028498        5.1844760884
  F         8.4602162345       11.6071445546        1.4568426545
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  F         7.3204249015       10.8340001975       -0.2833787741
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  C         7.1220447110        8.8840713766        1.7352351667
  C         6.5087031591        7.8743433543        2.4714853685
  C         5.5342607909        8.1817975155        3.4350605639
  C         5.1442099663        9.5089416916        3.7322423983
  C         5.7049020140       10.5042464177        2.8954578900
  B         4.2357476497        9.8684262529        5.0630244397
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  C         2.5236974909        7.8693667790        4.6355210714
  C         1.6429050805        6.8718806179        5.0778896781
  C         1.3288620379        6.7391161457        6.4426239481
  C         1.9493666115        7.6316853223        7.3375434780
  C         2.9151768426        8.5446281546        6.8835404534
  C         1.6063915638        7.5483248779        8.8070890938
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  F         2.6884531469        7.1633763752        9.5505933841
  F         1.1736059917        8.7396128529        9.3233224379
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  F         0.2268127311        5.0587606655        4.3431663026
  F         0.6569836452        6.7204607998        2.9397904871
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  C         6.0012070332        9.1592526448        6.9374799949
  C         6.9351545797        9.3971043174        7.9457821261
  C         7.3614029421       10.6880277271        8.2604739612
  C         6.8165166437       11.7312903112        7.4935939242
  C         5.8189265555       11.4804180044        6.5338270842
  C         7.3158351481       13.1420714073        7.6968395669
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  F         6.3376947354       14.0809078538        7.4876190316
  F         8.3217449869       13.4832053636        6.8168857857
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  F         7.4219051570        7.0990780556        7.7840126554
  F         6.2857903054        7.7405121342        9.5343780346
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  C         2.5891809239       11.2650512035        3.5598820068
  C         1.6752709783       12.2922101278        3.2965361212
  C         1.3019707945       13.2098644064        4.2677701612
  C         1.8353748213       13.0325520267        5.5453248802
  C         2.7289130502       11.9765855181        5.8236519051
  C         1.1020005622       12.3885755333        1.9247670361
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  F         1.8754899796       13.1624320295        1.1017721740
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  F        11.2211835618        9.0216506232       20.1833177251
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  C        11.3672957146       11.0511894270       18.2088282319
  C        11.8530603201       12.0266249316       17.3364127153
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  C        13.2410646579       10.4075176693       16.1124585510
  C        12.7807448634        9.4475306295       17.0319721862
  B        14.1503649534        9.9818430212       14.8145838791
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  C        15.8147828426       11.9897453674       15.3033750717
  C        16.7091345754       12.9809851953       14.8790559902
  C        17.0748124780       13.1087015356       13.5360608522
  C        16.4905490554       12.2600153319       12.5873453610
  C        15.5334769072       11.3271983383       13.0124463727
  C        16.8230565876       12.3895728602       11.1054260870
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  F        15.7440097237       12.8186789638       10.3435956662
  F        17.2237775890       11.1972346791       10.5485910777
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  F        18.1433906572       14.8405205746       15.3909068025
  F        17.8456225174       13.2609860382       16.9332648266
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  C        12.4848900897       10.6467981518       12.8381262968
  C        11.5004766158       10.4197866265       11.8585179711
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  C        11.6117486581        8.0781662102       12.3420156320
  C        12.6539790594        8.3001413676       13.2499262765
  C        11.0230247049        6.7030930951       12.2138762969
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  F        11.9207749568        5.6957138554       12.4550962421
  F        10.0082467523        6.5025868554       13.1237027798
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  F        10.6261945697       12.6615951335       11.7334837973
  F        11.7486944419       11.8919897374        9.9854711045
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  C        15.8703071883        8.6169953935       16.3232363971
  C        16.7928579639        7.5841277042       16.4830876859
  C        17.0876922301        6.7036076350       15.4447195519
  C        16.4762479574        6.8661397356       14.2118463757
  C        15.5439064501        7.9079858156       14.0511046534
  C        17.4708999306        7.2592663494       17.7696637142
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  F        16.8000561030        6.2772546821       18.4629917644
  F        18.7217804043        6.7514606715       17.5209426298
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  F        10.4781694570       13.7386378121       16.4277776424
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  F        17.3726153423        6.5374226929       12.0139587577
  F        15.6553716255        5.2805360698       12.6008964811
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  H        10.6262334385       11.2887208318       18.9736689997
  H        12.9517884074       12.4878330337       15.5727847122
  H        13.1389594318        8.4288727405       16.9590952179
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  H        15.0715968245        8.0733728434       13.0837677281
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  F         3.3577546120       17.1030031675       18.6411473489
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  C         3.4712962299       21.6914214183       17.3027350545
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  C         2.9345136497       23.0744010544       17.4399051446
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  F         3.9030620824       24.0318097556       17.3149468705
  F         1.9907865397       23.2913006740       16.4475681329
  B         5.6113029947       19.6335959820       14.6782564490
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  C         7.3312906237       18.3459466606       16.2296725824
  C         8.2707106359       17.3438049438       16.4764044895
  C         8.6208884122       16.4327842284       15.4871881237
  C         8.0354740123       16.5596874517       14.2259399754
  C         7.1270421059       17.6012576658       13.9582137408
  C         8.4065711469       15.5971939449       13.1369058070
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  F         9.2062398344       14.5694167603       13.5673298999
  F         9.1061866848       16.2384018955       12.1524062486
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  F        10.0188691202       16.5649342242       17.8933507776
  F         7.9743336581       16.3990281428       18.6764979646
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  C         7.2171382763       21.6499261591       15.2572268104
  C         8.1888292611       22.5979255889       14.9213840353
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  C         8.0441667828       21.9450399109       12.6109268625
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  C         8.3879228617       22.1075077343       11.1541586597
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  F         9.3635904205       23.0332116641       10.9301917204
  F         7.3130630941       22.5081190060       10.3837925441
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  F         7.6886307748       24.3493263058       16.5031288614
  F         9.2761997784       22.8953181229       17.0046835620
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  C         4.0808077106       17.9346933379       13.2669330179
  C         3.1122807140       17.6682078645       12.2878494792
  C         2.6028720296       18.6675199185       11.4669604244
  C         3.0202562440       19.9893938954       11.6817872096
  C         4.0081397383       20.2463950720       12.6460724074
  C         2.3923619062       21.1135384695       10.8845911443
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  F         3.0302612818       22.3143939315       11.0101619229
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  F         3.4230663586       15.3081707742       12.4010933008
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  H         4.5508353633       22.0997898053       15.4833028683
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  F        15.0357257364        2.8304521192        1.1490870818
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  C        14.3280395334        0.9401485575        3.0167486783
  C        13.8110389763       -0.0261756762        3.9101268068
  C        14.2332373116       -1.3484559037        3.6992489384
  C        15.0131683789       -1.7151098281        2.5882515012
  C        15.4205787376       -0.7633488903        1.6522817907
  C        15.4892786842       -3.1271072899        2.3844630340
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  F        14.4837557497       -4.0481963521        2.4823796313
  F        16.4146656318       -3.4453765047        3.3565034889
  B        12.8210636557        0.2480212369        5.2056059011
  C        11.7125171407        1.4221164662        4.9356254186
  C        11.1425541673        1.4920885002        3.6481636484
  C        10.1817565262        2.4651625246        3.3140573705
  C         9.7310412170        3.3635072329        4.2936278643
  C        10.2848321621        3.3066875689        5.5798187496
  C        11.2542122016        2.3431121088        5.8902865246
  C         9.9471953198        4.2997938893        6.6645069649
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  F         9.1791685056        5.3412575822        6.2277337692
  F         9.2897238833        3.6851826081        7.6991798965
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  F         9.4830063684        1.5359866509        1.2337926626
  F         8.4010761482        3.3388287562        1.9067485415
  F        10.4349869095        3.5183068944        1.1140290339
  C        11.8359497474       -1.0303169296        5.5587756847
  C        11.3205342769       -1.9221325958        4.5989320145
  C        10.3139017240       -2.8390511826        4.9133900400
  C         9.8222496507       -2.9959660972        6.2099995527
  C        10.3283834077       -2.1263949875        7.1849038449
  C        11.2899600713       -1.1663246097        6.8493887862
  C         9.9550843335       -2.2036840513        8.6409483095
  F         9.5848600959       -0.9766307026        9.1553367300
  F         8.9274654530       -3.0610749695        8.8694679047
  F        11.0103289741       -2.6045062880        9.4364438685
  C         9.7494247848       -3.7058811830        3.8359620902
  F         8.8067000091       -4.5646670214        4.3123840164
  F        10.7097308795       -4.4528275444        3.2105468640
  F         9.1301148867       -2.9627674734        2.8500096401
  C        13.8767537746        0.5766534657        6.3963461508
  C        14.3708042109        1.8795612963        6.6109794775
  C        15.3192925452        2.1881794482        7.5999395571
  C        15.8024437034        1.1665299452        8.4218815205
  C        15.3910544402       -0.1401011953        8.1470608202
  C        14.4677661616       -0.4507165731        7.1561479218
  C        16.0203853638       -1.2312184486        8.9307206784
  F        16.0424018011       -0.8736725747       10.2607855433
  F        17.3231360001       -1.4851554825        8.5638836852
  F        15.3700038152       -2.4172418132        8.7926383105
  C        15.8971660344        3.5808194331        7.6620940318
  F        16.4756954407        3.8692578818        8.8621042950
  F        14.9568939442        4.5407388097        7.3996152904
  F        16.8655319050        3.7877706156        6.6779982997
  H        14.0908340770        1.9981803523        3.1402544228
  H        13.8365681590       -2.0779003564        4.4068455755
  H        15.9536070277       -1.0876546388        0.7593070809
  H        11.5530773608        0.7785923307        2.9341486056
  H         8.9919225495        4.0895168050        3.9669284479
  H        11.7102636856        2.3663085542        6.8811755171
  H        11.7184024064       -1.9485958336        3.5854662529
  H         9.1539396451       -3.8315869067        6.4030142403
  H        11.6442426374       -0.5425045898        7.6667923171
  H        14.0095613177        2.6755047824        5.9585450375
  H        16.5210052517        1.3522907820        9.2144484036
  H        14.2270876630       -1.5013735786        6.9768454706
  H        10.7045296475       11.8224808518        4.7725755746
  H        12.0266850458       10.4928791351        3.4844905840
     646
 i =       30, E =         0.0332615401
 Rh         3.6066031273        0.2504842013        4.8251471888
  P         5.3583066094        0.6278439230        6.2709907973
  C         5.3065182982       -0.2826465518        7.8837250099
  C         4.7880686054       -1.7166112571        7.6491841527
  C         4.4869707892       -2.4054388294        8.9863094178
  C         5.6741130356       -2.2303506124        9.9486423972
  C         6.1874872833       -0.7982263566       10.1577316786
  C         6.5377351879       -0.1506835474        8.8148842104
  C         5.6470556999        2.3834705278        6.7708840770
  C         4.6760386462        2.7933041687        7.9099736921
  C         4.6309588919        4.3105278923        8.1565070845
  C         4.5353574598        5.1055894104        6.8557316715
  C         5.7388018184        4.7872078555        5.9712723642
  C         5.5780190117        3.3217810270        5.5383167682
  C         6.9687131358        0.0834395419        5.4674161901
  C         6.9082089345        0.2166031189        3.9460390296
  P         5.2881180860       -0.2502821693        3.2507832189
  C         5.4880323455       -2.0371285630        2.7253948614
  C         4.3306537296       -2.4564393925        1.7962449965
  C         4.3868620700       -3.9456099042        1.4307069662
  C         4.2195843045       -4.7723414825        2.7189077860
  C         5.3536356893       -4.4279043978        3.7030196448
  C         5.4209560532       -2.9038020724        4.0012436214
  C         5.2345882484        0.7307462430        1.6917753697
  C         4.9254447627        2.2446300836        1.9288089519
  C         4.4032847955        2.8286270051        0.6008792597
  C         5.4548447695        2.6182100735       -0.4953819976
  C         5.9328733922        1.1730826042       -0.6683685226
  C         6.4059302102        0.5758903678        0.6711509004
  C         1.9026717897        0.2815680767        3.4602075810
  C         1.9040735864       -0.9739287143        4.0744840114
  C         1.0522850634       -0.8464060389        5.3397381355
  C         1.8858243035        0.1137164457        6.2264083799
  C         1.8379104280        1.3738929058        5.6236307985
  C         1.0087701268        1.1922057370        4.3291080068
  C        -0.0303288670        0.1835519592        4.8989829430
  H         4.5018357162        0.2065726845        8.4556778712
  H         5.4986272147       -2.3642009457        7.1157089959
  H         3.9113806433       -1.6456041198        6.9807040888
  H         4.3627890185       -3.4790148250        8.7777364583
  H         3.5568809054       -2.0577974196        9.4622509992
  H         5.4355806491       -2.6619482017       10.9252419033
  H         6.5167404140       -2.8086620475        9.5434538837
  H         7.1003267337       -0.8497278215       10.7737460978
  H         5.4850639790       -0.1434841832       10.7015652420
  H         6.8154259644        0.9009763803        9.0031039142
  H         7.4313347724       -0.6633776976        8.4403913222
  H         6.6747308668        2.3569388287        7.1719963472
  H         4.9810299786        2.2741804810        8.8336162550
  H         3.6565086776        2.4639169688        7.6633144491
  H         5.5353504088        4.6217933745        8.6983269193
  H         3.7658704543        4.5848841952        8.7764220107
  H         4.4757975640        6.1742725016        7.0837249918
  H         3.5985302234        4.8562182863        6.3247039796
  H         6.6586059404        4.9357856293        6.5608648875
  H         5.8081309192        5.4716932514        5.1137907271
  H         6.3180208210        3.0265963853        4.7822862178
  H         4.5914060141        3.2334179295        5.0447931998
  H         7.8041820239        0.7040078175        5.8059477021
  H         7.1443661563       -0.9451535835        5.8106797119
  H         7.6968251495       -0.3215704577        3.4000222216
  H         7.0009614683        1.2831729893        3.6880653631
  H         6.4802947108       -2.1511122594        2.2612079407
  H         4.2188754847       -1.8187324838        0.9094444117
  H         3.4301551007       -2.3188007362        2.4143023292
  H         5.3268754662       -4.1595430130        0.8983198150
  H         3.5987248602       -4.2132803980        0.7130048902
  H         4.1452985169       -5.8382688303        2.4572810724
  H         3.2466209811       -4.5352937604        3.1738969364
  H         5.2816128900       -4.9516249794        4.6689751810
  H         6.2722359114       -4.7701109570        3.2116010853
  H         6.2612939542       -2.6568075635        4.6624400181
  H         4.5253264394       -2.5513885409        4.5470316513
  H         4.3613862589        0.2374590057        1.2412966742
  H         5.8416229245        2.7650151783        2.2604819998
  H         4.2000235751        2.4157953331        2.7409991093
  H         4.2357816478        3.9176666457        0.6227443478
  H         3.4297205146        2.3495767696        0.4060761510
  H         6.2775896602        3.2708480269       -0.1619013182
  H         5.0913022371        2.9904422153       -1.4592218383
  H         6.6903141355        1.0998530266       -1.4694333240
  H         5.0919601007        0.5519444524       -1.0115608354
  H         7.2862777459        1.1270420536        1.0276358729
  H         6.6944982061       -0.4721764782        0.5091441549
  H         2.2893571185        0.5338000583        2.4760638336
  H         2.2015842313       -1.9208212016        3.6326556637
  H         0.7482030198       -1.7846611032        5.8124950470
  H         2.0437317013       -0.0028346499        7.2901693340
  H         1.9083968004        2.3114028050        6.1876025514
  H         0.6538113354        2.1024314307        3.8351316163
  H        -0.4980493812        0.6154393679        5.7959268613
  H        -0.7793942079       -0.1619282208        4.1833956623
 Rh        14.7368313488       19.6564803500       14.9162411290
  P        12.9171007863       19.2112166114       13.4777056394
  C        13.0732880565       20.2149838149       11.9491274932
  C        13.4905151392       21.6674422305       12.2514508986
  C        13.8071320398       22.3417358676       10.9172381319
  C        12.6660714650       22.2351727521        9.9025298299
  C        12.2637065299       20.7785608322        9.6441139065
  C        11.9066565288       20.0636791675       10.9559487121
  C        12.6362589033       17.4780639326       12.8442014271
  C        13.6635493211       17.0510081194       11.7832289972
  C        13.5674601408       15.5395704379       11.5331571324
  C        13.7775872625       14.7248932910       12.8132895751
  C        12.6549440267       15.0517711336       13.7962244789
  C        12.6724314407       16.5607888625       14.0810693238
  C        11.3010635383       19.6902825801       14.3279668721
  C        11.4964499782       19.7296325342       15.8573709112
  P        13.1424459753       20.1939318735       16.5362476269
  C        12.9429834957       21.9765418441       17.0058149517
  C        13.9885712001       22.4449775690       18.0423906497
  C        14.0441513324       23.9853460599       18.1742209891
  C        14.0704388515       24.7272705040       16.8339390654
  C        12.8962049392       24.2700308009       15.9732180862
  C        13.0879476733       22.7731099568       15.7000763900
  C        13.2873008815       19.2164681763       18.1240026334
  C        13.5535675392       17.7279823735       17.7996735338
  C        14.0226374955       16.9898131527       19.0601705336
  C        13.0127761458       17.1378707956       20.1942668307
  C        12.5886070931       18.5942027264       20.4430015988
  C        12.1527192087       19.3655830988       19.1664945929
  C        16.4205265495       19.6577728349       16.3201526035
  C        16.4648263877       20.8535556630       15.6025650101
  C        17.3611475337       20.5905898816       14.3764835468
  C        16.5025198698       19.5876153824       13.5445161369
  C        16.4857123395       18.4059527417       14.2893963230
  C        17.3123980573       18.6656807629       15.5643872813
  C        18.4047850560       19.6063687712       14.9604540737
  H        13.9895058893       19.8023187734       11.4767939439
  H        12.7560973684       22.2606061298       12.8198365253
  H        14.4147228735       21.5844108257       12.8600022461
  H        14.1158214824       23.3860247134       11.0652495265
  H        14.6570903967       21.7763303008       10.5059322826
  H        12.9926561412       22.6583622046        8.9424990503
  H        11.7917406479       22.8117316711       10.2368333310
  H        11.4427735116       20.7756068749        8.9096595645
  H        13.1055975999       20.2454883782        9.1661040994
  H        11.6716032619       19.0035214848       10.7801451525
  H        11.0071280072       20.5116052275       11.3939037390
  H        11.6259570030       17.4189448788       12.4030327994
  H        13.5353203028       17.5795352874       10.8231982553
  H        14.6784290342       17.2720492931       12.1464988554
  H        12.5790079952       15.2944496665       11.1104908992
  H        14.3299440051       15.2740779633       10.7947241066
  H        13.8663446054       13.6536275314       12.5741739546
  H        14.7413819030       14.9805089982       13.2839528697
  H        11.6817455683       14.7287546907       13.3914705216
  H        12.8221776182       14.5484876277       14.7590605916
  H        11.8185958157       16.8441107740       14.7078645991
  H        13.5899501265       16.7804461865       14.6560624889
  H        10.5188675598       18.9276496553       14.1498466432
  H        10.9249701568       20.6393719067       13.8976689431
  H        10.7406967785       20.3474379244       16.3575515006
  H        11.4076195375       18.6983334186       16.2300148332
  H        11.9020487283       22.1422934863       17.3445133491
  H        13.7790080624       22.0214061512       19.0329578992
  H        14.9487825694       21.9972006980       17.7425628221
  H        13.1449174504       24.3169464961       18.7157496319
  H        14.8749565692       24.3182264338       18.8081902835
  H        14.0745320353       25.8082374262       17.0275331290
  H        14.9725897180       24.4990688556       16.2490108572
  H        12.8619790419       24.7833276587       15.0043521432
  H        11.9493826067       24.4429220522       16.5088630072
  H        12.3778410613       22.3966949160       14.9486633635
  H        14.1071217928       22.5990078767       15.2964448936
  H        14.1758455297       19.6500174624       18.6229848459
  H        12.6140387878       17.2911753705       17.4289047238
  H        14.2921107420       17.6403598770       16.9855206053
  H        14.2397585362       15.9214560522       18.8984178084
  H        14.9761204518       17.4408966983       19.3798578989
  H        12.0925190578       16.5610929828       20.0211713827
  H        13.4802433929       16.7084835596       21.0935715733
  H        11.7914933275       18.5138906588       21.1968233824
  H        13.4279751068       19.1760620143       20.8516669990
  H        11.1791605001       19.0037960456       18.8095307380
  H        12.0478041460       20.4382742737       19.3858633090
  H        15.9443761614       19.4710350172       17.2745644725
  H        16.1589055552       21.8380297025       15.9479260555
  H        17.7641990938       21.4673949484       13.8659284503
  H        16.2995607684       19.6730118176       12.4755303311
  H        16.2656956442       17.3969190120       13.9482980687
  H        17.5730277743       17.7645496021       16.1207349379
  H        18.9608822138       19.1148515589       14.1523401770
  H        19.1134924244       20.0906664025       15.6414357300
 Rh         5.9913747334       10.0572241110       15.0034172677
  P         4.1909035402        9.5705067665       13.6451059235
  C         3.6386301720        7.8489807509       13.1095071162
  C         3.6281209758        6.9086909327       14.3163031262
  C         3.6644708541        5.4291781291       13.8946285495
  C         4.8610424581        5.0922175452       13.0016787185
  C         4.7459834195        5.8908397429       11.7015802303
  C         4.6390012150        7.3960779838       12.0331126637
  C         2.6225345444       10.2044270301       14.4025000369
  C         2.6426088173       10.1055624532       15.9267843716
  P         4.3634221329       10.6022769311       16.4956527845
  C         4.1627149224       12.3795081528       17.0163574589
  C         3.9953645070       13.2791948621       15.7597133171
  C         4.0659952229       14.7808588321       16.0904473086
  C         5.3627557175       15.0430149363       16.8946460684
  C         5.3813720700       14.2706337233       18.2288459006
  C         5.2986283479       12.7550040132       18.0019812656
  C         4.6475778994        9.6977699875       18.0613801741
  C         4.9622570861        8.2168477308       17.8234742526
  C         5.2236234138        7.4848089308       19.1346484220
  C         3.9926698749        7.5916391269       20.0476441000
  C         3.4310724451        9.8310941150       18.9751312432
  C         3.6917147367        9.0843990645       20.2908120081
  C         4.4223877891       10.5521956223       12.0841505745
  C         4.7510901840       12.0408188605       12.3515002049
  C         4.9835037252       12.7861495803       11.0151696902
  C         3.8569439293       12.5911169855        9.9869919837
  C         3.4671471566       11.1207019547        9.8175856243
  C         3.2135241380       10.3895801674       11.1485954879
  C         7.8891640366       11.2334515635       15.5918688795
  C         7.6065525133        8.6859605157       14.3553223140
  C         8.5284990515        8.9314727659       15.5686446699
  C         9.6499759732        9.7893104850       14.9059032637
  C         8.6537587818       10.8132925858       14.3119374048
  C         7.7738079171       10.0483083535       16.3416311753
  C         7.6715492585        9.8650956325       13.6015176751
  H         2.5964869245        7.9428113034       12.7513329452
  H         4.5130223956        7.1220129469       14.9263952585
  H         2.7425758224        7.1124360633       14.9329824092
  H         2.7674154389        5.1511850760       13.3230094533
  H         3.6799032960        4.8262270144       14.8056465783
  H         5.8132982121        5.3656117040       13.4798051581
  H         4.8972873136        4.0007926688       12.8521250084
  H         5.6212971299        5.7155781859       11.0588943221
  H         3.8817640485        5.5643350419       11.1088102692
  H         4.4117213055        7.9609020373       11.1303999499
  H         5.6180398354        7.7390892161       12.3950283138
  H         2.5106955478       11.2507373066       14.1030687848
  H         1.7980619172        9.6330204737       13.9687522565
  H         1.8774978152       10.7606690776       16.3662051294
  H         2.3790706732        9.0962578505       16.2698498528
  H         3.1904488002       12.4343543863       17.5356303957
  H         4.7445186498       13.0517370888       14.9901655042
  H         3.0067341451       13.0299632211       15.3404357783
  H         3.9378275259       15.3749483656       15.1608410405
  H         3.1820026922       15.0406494525       16.6884712766
  H         5.5644473588       16.1022188038       17.1027142924
  H         6.2523180787       14.7034792976       16.3373474993
  H         6.3151567041       14.5246425416       18.7486226337
  H         4.5836193614       14.5899794992       18.9162762799
  H         6.2683439692       12.3858030624       17.6348131935
  H         5.1539752935       12.2210398132       18.9575745370
  H         5.4927971323       10.1942601985       18.5651236267
  H         5.7864439074        8.0495808579       17.1218848083
  H         4.0513630910        7.7898364201       17.3968464088
  H         6.0678538612        7.9691771331       19.6554669112
  H         5.5274451350        6.4519644347       18.9036944964
  H         4.1996744414        7.0715895653       20.9903083531
  H         3.0881253041        7.1061625245       19.6472803400
  H         3.1891791512       10.9016350425       19.0876272049
  H         2.5517864963        9.3577841092       18.5132933465
  H         4.5567699311        9.5052601604       20.8267467360
  H         2.7947299730        9.1830933774       20.9105725306
  H         5.2851043316       10.0796635330       11.5861244288
  H         5.6474266293       12.1557308040       12.9878125574
  H         3.9364529715       12.4917825859       12.9355481987
  H         5.0916963042       13.8648256577       11.1907732234
  H         5.9403284756       12.4405866997       10.5985763147
  H         4.1643197467       12.9727366564        8.9960933146
  H         2.9926441290       13.1944795222       10.2903325319
  H         2.6324728332       11.0351262305        9.1022572594
  H         4.3167457954       10.6059463266        9.3420503140
  H         2.3073864581       10.7188892282       11.6693719426
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  H        15.5155402401       10.5854668239       -1.6098533680
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  H        12.9663655615        7.6193180983        6.8842073710
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  H        12.9197454671        6.1371019601        8.8012026614
  H        12.4961410971        7.6552169638        9.5440803375
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  H        15.3927115307        6.5831760549        9.6021193723
  H        15.8618750353        8.9297447012       10.6632523330
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  H        15.5487321792       10.5166648527        8.8262833968
  H        10.6432803165       10.0628579937        2.5209391131
  H        11.1377871005        9.1662683745        7.2192983029
  H         9.2783217380       10.5376893791        6.6195692598
  H         8.0589995001        9.6169627125        4.3425513417
  H         8.2772426431        8.2085433123        5.3410793734
  H         9.9276023663        7.8873776996        3.2498126871
  H         9.1054637231       11.2928156543        4.1767099547
  H        11.5191512861        7.2040061461        5.1838339608
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  F         7.3201550926       10.8340529140       -0.2829724659
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  C         7.1277726102        8.8860320908        1.7397123819
  C         6.5107244447        7.8755668231        2.4723603895
  C         5.5335073785        8.1827204855        3.4329685884
  C         5.1437216008        9.5098776584        3.7314338494
  C         5.7048345376       10.5052429173        2.8946567456
  B         4.2353121495        9.8678194070        5.0627688203
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  C         2.5206311880        7.8699579391        4.6346539273
  C         1.6409715775        6.8721794942        5.0782630179
  C         1.3288865226        6.7393220184        6.4435159640
  C         1.9507855491        7.6314112304        7.3378741164
  C         2.9178769198        8.5425221456        6.8831486908
  C         1.6068810305        7.5483530802        8.8075432093
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  F         2.6885397333        7.1633991935        9.5514404187
  F         1.1734751356        8.7395723863        9.3235820683
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  F         0.2226675648        5.0592158449        4.3436097063
  F         0.6561519258        6.7205013376        2.9400064633
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  C         6.0036209818        9.1583388232        6.9367097258
  C         6.9365723335        9.3972586078        7.9454752628
  C         7.3621497324       10.6883119663        8.2601762610
  C         6.8157641350       11.7310999590        7.4938967762
  C         5.8167469043       11.4796137967        6.5357822231
  C         7.3149788328       13.1420952474        7.6968714239
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  F         6.3368154242       14.0809349791        7.4877709706
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  F         7.4217405356        7.0989975333        7.7842799311
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  C         2.5881537045       11.2636389342        3.5608953372
  C         1.6740783137       12.2931984687        3.2975165392
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  C         1.8329669526       13.0326847223        5.5453701432
  C         2.7259659041       11.9742917714        5.8249642039
  C         1.1019736395       12.3884054607        1.9248929785
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  F         1.8755979528       13.1623544540        1.1021302266
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  F         7.4878068542        5.8849108315        3.3009577788
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  F         2.7100526427       14.5658516785        7.1277728182
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  H         5.3284493383       12.3247274597        6.0547072914
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  H         0.5789736681       13.9874334068        4.0156788096
  H         3.1096938076       11.8896889960        6.8445504774
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  F        11.2213840234        9.0217115078       20.1838360484
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  C        11.3654635806       11.0515226826       18.2090903438
  C        11.8515601690       12.0268111718       17.3371553732
  C        12.7284087953       11.7008697535       16.2922147314
  C        13.2406291651       10.4082172099       16.1135678386
  C        12.7819757386        9.4488450084       17.0345484242
  B        14.1500537023        9.9817852632       14.8158919361
  C        15.1689814502       11.1714140607       14.3668087228
  C        15.8166504093       11.9877331608       15.3054033516
  C        16.7096133418       12.9796803689       14.8799063884
  C        17.0741735405       13.1077146798       13.5368419969
  C        16.4892868693       12.2596039417       12.5879444710
  C        15.5317849554       11.3277133790       13.0137210371
  C        16.8215184340       12.3894370027       11.1056337345
  F        17.8210945152       13.2769732746       10.8439156182
  F        15.7431393971       12.8187023529       10.3432261884
  F        17.2233751120       11.1974885593       10.5483292088
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  F        18.1431959681       14.8405818000       15.3904283563
  F        17.8458874517       13.2612131236       16.9332533909
  C        13.0871313431        9.6042524547       13.5848569246
  C        12.4848187272       10.6461341344       12.8389418917
  C        11.5001045352       10.4200427968       11.8595557658
  C        11.0005586951        9.1296167679       11.6510091996
  C        11.6118501590        8.0780973010       12.3415093656
  C        12.6562619051        8.2988178238       13.2469925543
  C        11.0228679289        6.7030788762       12.2134200495
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  F        11.9206792870        5.6957810061       12.4547820598
  F        10.0081781486        6.5026879760       13.1235646755
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  F        10.6259508194       12.6619101484       11.7334683074
  F        11.7483578350       11.8920360785        9.9856269930
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  C        15.8716332041        8.6199003531       16.3239192515
  C        16.7941825574        7.5855531141       16.4831231387
  C        17.0873458828        6.7054068502       15.4447235904
  C        16.4768044520        6.8669137874       14.2127578864
  C        15.5437021193        7.9094862934       14.0522169645
  C        17.4717277969        7.2612858561       17.7693775769
  F        17.6194596782        8.3269482290       18.6154106000
  F        16.8009248320        6.2789675247       18.4619304179
  F        18.7237224929        6.7589558207       17.5202057179
  C        11.3808603776       13.4405578873       17.4369584589
  F        10.7824668929       13.6793109470       18.6292405693
  F        10.4780383172       13.7388268605       16.4276436946
  F        12.4008828652       14.3425882793       17.3008806395
  F        17.6269143600        4.8918739504       13.4747278287
  F        17.3724995006        6.5377396407       12.0136460373
  F        15.6552967977        5.2809556175       12.6006784571
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  H        10.6227058132       11.2889411031       18.9728713011
  H        12.9479653549       12.4880170546       15.5722949565
  H        13.1422524735        8.4310357325       16.9641934016
  H        15.6481631898       11.8301494451       16.3729420478
  H        17.7934472121       13.8681030695       13.2549011866
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  H        13.0879854645        7.4044873775       13.7042645860
  H        15.7115011453        9.3377524463       17.1234347144
  H        17.7950573992        5.9087219648       15.6392385972
  H        15.0711294486        8.0757868254       13.0854783965
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  F         3.3578969573       17.1040144331       18.6416771965
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  C         4.1186156180       19.0660679002       16.8720990850
  C         4.6674706509       20.0194963284       15.9806161564
  C         4.2648855175       21.3431036674       16.2073041564
  C         3.4734753806       21.6932344465       17.3027779765
  C         2.9897849753       20.7523222210       18.2058974645
  C         2.9352122831       23.0753939921       17.4399912633
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  F         3.9032325607       24.0327147500       17.3150753953
  F         1.9908330430       23.2914292351       16.4480390690
  B         5.6118358910       19.6340330067       14.6784760334
  C         6.7002359880       18.4673118409       14.9802674085
  C         7.3341469974       18.3487673951       16.2291845579
  C         8.2727284005       17.3452649690       16.4756547687
  C         8.6212859588       16.4340004556       15.4866549215
  C         8.0368573056       16.5614295184       14.2252109514
  C         7.1297564961       17.6046479405       13.9574078130
  C         8.4066360798       15.5978668550       13.1364221040
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  F         9.2059915369       14.5697698996       13.5672676065
  F         9.1058370772       16.2384530365       12.1512207836
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  F        10.0192967411       16.5650312316       17.8932831448
  F         7.9749167271       16.3999000363       18.6750909017
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  C         7.2175590568       21.6494359830       15.2585527864
  C         8.1908493686       22.5959859616       14.9238623150
  C         8.6302888251       22.7436701817       13.6001917635
  C         8.0465825260       21.9438139009       12.6130348833
  C         7.0958303775       20.9815471445       12.9653936332
  C         8.3886289756       22.1071611970       11.1562981634
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  F         9.3634202099       23.0333436525       10.9302012563
  F         7.3115735479       22.5088778073       10.3927914793
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  F         9.5836341854       24.4586088209       15.4227892750
  F         7.6884302872       24.3490550515       16.5033622984
  F         9.2760718248       22.8952635267       17.0072215814
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  C         4.0828454276       17.9331062392       13.2674860200
  C         3.1142933571       17.6667964006       12.2879904689
  C         2.6056317012       18.6652500267       11.4662074598
  C         3.0215603700       19.9875699958       11.6807935167
  C         4.0098905917       20.2444992157       12.6450555971
  C         2.3926075492       21.1124744250       10.8847359454
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  F         1.0833022560       21.3867329392       11.2390439781
  F         3.0298398174       22.3138255511       11.0106517660
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  F         1.9246539119       16.0474776733       10.9709758595
  F         3.4230564783       15.3074734154       12.4016763326
  F         1.5205395874       16.1203850718       13.1342625378
  H         4.3403402027       18.0088989676       16.7524136083
  H         4.5492182391       22.0993710382       15.4803944119
  H         2.3735607393       21.1253258372       19.0196973244
  H         7.0895748880       19.0246810864       17.0442964282
  H         9.3377469302       15.6556883570       15.7278466386
  H         6.7306235020       17.7921692489       12.9538138817
  H         6.8310406652       21.5954547582       16.2751365701
  H         9.3571630296       23.5193193234       13.3773446871
  H         6.6628808021       20.3502807809       12.1941606379
  H         4.4479421045       17.0884564414       13.8552565241
  H         1.9395156382       18.3263490051       10.6744547736
  H         4.3783195825       21.2612047277       12.7472148550
  F        15.6650985172        1.2840302003       -0.3099574200
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  F        17.0259011245        1.9059838133        1.3001537808
  F        15.0345458903        2.8307695567        1.1480411924
  C        15.1153653233        0.5806658210        1.9102720205
  C        14.3289497812        0.9416488444        3.0182898413
  C        13.8118887526       -0.0243048191        3.9122457584
  C        14.2344584031       -1.3464759736        3.7021968763
  C        15.0117125059       -1.7144118263        2.5899386456
  C        15.4166500852       -0.7635091637        1.6515899201
  C        15.4877679406       -3.1260528741        2.3850090162
  F        16.0760901265       -3.3462850149        1.1663280655
  F        14.4828398233       -4.0480313223        2.4822456238
  F        16.4141664687       -3.4451485133        3.3558406009
  B        12.8208290330        0.2470123141        5.2078886157
  C        11.7106070660        1.4198965388        4.9389708320
  C        11.1413942114        1.4881156155        3.6509503866
  C        10.1811198285        2.4614332943        3.3148226678
  C         9.7294883338        3.3600036379        4.2938370355
  C        10.2826668269        3.3048232498        5.5803785565
  C        11.2521160353        2.3419061572        5.8923911806
  C         9.9455358390        4.2993439060        6.6638510888
  F        11.0697707074        4.8727981573        7.2278966702
  F         9.1779080497        5.3412095122        6.2273324960
  F         9.2887693145        3.6853960844        7.6993122167
  C         9.6388148367        2.7052746260        1.9109995054
  F         9.4822246557        1.5356960118        1.2332374753
  F         8.4008289997        3.3387036854        1.9068946878
  F        10.4343583729        3.5178054522        1.1147578785
  C        11.8370134439       -1.0331321571        5.5595750379
  C        11.3234369850       -1.9258913976        4.5997075908
  C        10.3145894971       -2.8408051030        4.9131143900
  C         9.8211803938       -2.9975620739        6.2090519370
  C        10.3267157744       -2.1282151105        7.1844435071
  C        11.2888800435       -1.1684704641        6.8492766906
  C         9.9529312721       -2.2045765992        8.6405491879
  F         9.5847079737       -0.9768149423        9.1549285935
  F         8.9217851329       -3.0598933668        8.8693537363
  F        11.0092613280       -2.6048339289        9.4348722803
  C         9.7492508146       -3.7064183254        3.8355116454
  F         8.8060179890       -4.5647539764        4.3117750954
  F        10.7092820806       -4.4529823123        3.2097427909
  F         9.1298090044       -2.9626427919        2.8500353224
  C        13.8760443608        0.5754041810        6.3984726307
  C        14.3702274994        1.8784651673        6.6128421340
  C        15.3180854836        2.1880064447        7.6017673421
  C        15.8003592209        1.1666411454        8.4252583928
  C        15.3902695951       -0.1403070023        8.1486174916
  C        14.4683055189       -0.4517664584        7.1574966108
  C        16.0203418325       -1.2312143506        8.9312124413
  F        16.0424194149       -0.8736107427       10.2609339164
  F        17.3229907456       -1.4850185772        8.5635658050
  F        15.3699669545       -2.4172530261        8.7924271302
  C        15.8959852081        3.5808385837        7.6625472532
  F        16.4754442438        3.8696333953        8.8619126309
  F        14.9548365411        4.5404631391        7.3995693832
  F        16.8633791784        3.7878823789        6.6776936050
  H        14.0936533108        2.0002817224        3.1415343594
  H        13.8389277695       -2.0743505761        4.4121743549
  H        15.9452028681       -1.0894274905        0.7565210131
  H        11.5536851091        0.7728912762        2.9395045408
  H         8.9901266026        4.0847178372        3.9653067938
  H        11.7081841608        2.3673938527        6.8833079157
  H        11.7244791288       -1.9555169249        3.5874911337
  H         9.1530592224       -3.8336677926        6.4004272906
  H        11.6419559844       -0.5447104632        7.6671833400
  H        14.0093175771        2.6737155766        5.9592526677
  H        16.5166147155        1.3521409570        9.2197614707
  H        14.2299024197       -1.5029692072        6.9770746662
  H        10.7007186823       11.8266265214        4.7662005910
  H        12.0042155006       10.4784013864        3.4877610635
     646
 i =       31, E =         0.0313241848
 Rh         3.6049545223        0.2500832456        4.8249911793
  P         5.3572285149        0.6267868367        6.2702781986
  C         5.3084757779       -0.2814684482        7.8843308135
  C         4.7867952523       -1.7144637586        7.6513906547
  C         4.4867902492       -2.4027188963        8.9889967636
  C         5.6737309684       -2.2244067863        9.9511359787
  C         6.1886481287       -0.7925748910       10.1588516812
  C         6.5403926788       -0.1480542775        8.8149131152
  C         5.6463478716        2.3821326363        6.7695432054
  C         4.6763285998        2.7912408285        7.9100725321
  C         4.6262942708        4.3087231793        8.1550838277
  C         4.5336389828        5.1029311923        6.8535106894
  C         5.7415064462        4.7857942498        5.9742480221
  C         5.5778349808        3.3215470787        5.5379379306
  C         6.9673756314        0.0818852581        5.4661362109
  C         6.9063052830        0.2154081214        3.9451568596
  P         5.2869987451       -0.2502234576        3.2490303310
  C         5.4858975153       -2.0370914023        2.7228033749
  C         4.3279662061       -2.4565569872        1.7944595883
  C         4.3876209411       -3.9447376430        1.4250240545
  C         4.2166233756       -4.7727668749        2.7120665695
  C         5.3475427469       -4.4282977516        3.7000636636
  C         5.4157413679       -2.9040316787        3.9983018713
  C         5.2394092482        0.7322033980        1.6906305034
  C         4.9309604126        2.2465969840        1.9270553817
  C         4.4045942429        2.8276318525        0.5993914595
  C         5.4539971084        2.6153425579       -0.4986771803
  C         5.9355881000        1.1710818652       -0.6694299961
  C         6.4122305163        0.5780741547        0.6708824122
  C         1.9019381547        0.2822926222        3.4593838984
  C         1.9041346466       -0.9745870533        4.0706527200
  C         1.0517580061       -0.8511549233        5.3355762949
  C         1.8836566838        0.1083734121        6.2248170746
  C         1.8337977292        1.3701395961        5.6252845668
  C         1.0060051028        1.1898055899        4.3294240193
  C        -0.0320491553        0.1792354009        4.8983179826
  H         4.5053406124        0.2086731942        8.4575833097
  H         5.4937632676       -2.3644484741        7.1160589315
  H         3.9089446511       -1.6403114465        6.9847151934
  H         4.3665293046       -3.4768635337        8.7807664137
  H         3.5551033108       -2.0584890167        9.4643090312
  H         5.4361756033       -2.6553079819       10.9282110335
  H         6.5165171653       -2.8021423581        9.5456340177
  H         7.1015255076       -0.8456165730       10.7747754936
  H         5.4881417804       -0.1351774839       10.7020408467
  H         6.8182802259        0.9039208963        9.0014038739
  H         7.4344682247       -0.6616687239        8.4428991137
  H         6.6743827389        2.3541203705        7.1697340931
  H         4.9852643107        2.2742483537        8.8336668671
  H         3.6573684689        2.4577674809        7.6663812843
  H         5.5278392443        4.6229291103        8.6999648488
  H         3.7581934966        4.5816040903        8.7715029236
  H         4.4698522870        6.1714882746        7.0806449936
  H         3.5997144186        4.8503185765        6.3186729977
  H         6.6582894176        4.9298989098        6.5698882217
  H         5.8180825671        5.4730243696        5.1194708351
  H         6.3155179412        3.0252217792        4.7801144090
  H         4.5900699700        3.2366524993        5.0458695265
  H         7.8029343970        0.7028764445        5.8036472597
  H         7.1432099274       -0.9465089723        5.8098330801
  H         7.6946883270       -0.3213869489        3.3974016496
  H         6.9974745090        1.2823315045        3.6881098140
  H         6.4785634411       -2.1518765225        2.2595153108
  H         4.2094282371       -1.8156917661        0.9108516466
  H         3.4297117640       -2.3252255208        2.4173085757
  H         5.3295379476       -4.1564942345        0.8951238934
  H         3.6022370580       -4.2125167140        0.7043867937
  H         4.1428504330       -5.8385708507        2.4499140675
  H         3.2418864225       -4.5359036038        3.1633720122
  H         5.2724116889       -4.9515610153        4.6660169778
  H         6.2672773800       -4.7714828946        3.2116128251
  H         6.2542518065       -2.6577035127        4.6619669190
  H         4.5189312518       -2.5501600854        4.5414214300
  H         4.3673494016        0.2398820346        1.2371296904
  H         5.8483584725        2.7674802704        2.2547764089
  H         4.2084880887        2.4195396010        2.7416041283
  H         4.2374819120        3.9168365444        0.6181091881
  H         3.4303706859        2.3478527879        0.4092516273
  H         6.2756672827        3.2705179679       -0.1676152488
  H         5.0884260132        2.9848118343       -1.4627977435
  H         6.6913425922        1.0986827855       -1.4721989133
  H         5.0958724084        0.5464978765       -1.0093213978
  H         7.2907577429        1.1330843276        1.0257239792
  H         6.7047272015       -0.4691854985        0.5108727559
  H         2.2920445337        0.5379241684        2.4772694070
  H         2.2033482249       -1.9200844710        3.6269907949
  H         0.7489558561       -1.7910920064        5.8058961201
  H         2.0374741890       -0.0088203681        7.2891761081
  H         1.8971906198        2.3057384905        6.1938901851
  H         0.6497234908        2.1000591002        3.8363370985
  H        -0.4968673046        0.6091715236        5.7978392464
  H        -0.7835870677       -0.1639929511        4.1843392528
 Rh        14.7361048817       19.6571798887       14.9151076312
  P        12.9136741230       19.2106120968       13.4779161820
  C        13.0694363310       20.2148954105       11.9501612070
  C        13.4886191166       21.6667815472       12.2526156004
  C        13.8059280434       22.3392304205       10.9177036523
  C        12.6659094567       22.2322570170        9.9017878580
  C        12.2643332967       20.7754676751        9.6433316911
  C        11.9043916404       20.0621952182       10.9552095708
  C        12.6324597004       17.4783638499       12.8417602901
  C        13.6594348673       17.0511769813       11.7804426106
  C        13.5637852275       15.5391868546       11.5331744858
  C        13.7784181227       14.7273281543       12.8145270113
  C        12.6553590604       15.0522788541       13.7977458714
  C        12.6691157753       16.5619591753       14.0791728370
  C        11.2978883142       19.6879164704       14.3309573731
  C        11.4972453263       19.7331216824       15.8599827205
  P        13.1435557728       20.1963896791       16.5379500063
  C        12.9453517228       21.9795941765       17.0053251581
  C        13.9876928647       22.4508038375       18.0442441311
  C        14.0440425237       23.9920856794       18.1705148125
  C        14.0697698833       24.7310967164       16.8283673718
  C        12.8972260295       24.2690583772       15.9677229122
  C        13.0964788290       22.7724207671       15.6978797773
  C        13.2857708059       19.2184436021       18.1262548671
  C        13.5512279938       17.7299766655       17.8005727943
  C        14.0234148666       16.9915524459       19.0597834470
  C        13.0160638573       17.1387996486       20.1961877378
  C        12.5884999656       18.5942845686       20.4448676358
  C        12.1510602453       19.3666977484       19.1690587832
  C        16.4176875066       19.6587252996       16.3208186809
  C        16.4637782968       20.8539571025       15.6023170860
  C        17.3620596458       20.5894831407       14.3779877886
  C        16.5041547142       19.5855950240       13.5457710337
  C        16.4862460091       18.4047500696       14.2921619211
  C        17.3110492762       18.6659419502       15.5681041526
  C        18.4046024998       19.6052497255       14.9636377437
  H        13.9863268140       19.8025302355       11.4786621095
  H        12.7569643599       22.2618637979       12.8226066689
  H        14.4138015220       21.5809496904       12.8596080886
  H        14.1162873574       23.3832129230       11.0640406723
  H        14.6549452971       21.7712371502       10.5078701775
  H        12.9941263064       22.6548246462        8.9420500522
  H        11.7907884642       22.8086469856       10.2342693941
  H        11.4456589100       20.7719881979        8.9063083901
  H        13.1076504277       20.2420553845        9.1681115030
  H        11.6703807292       19.0016358069       10.7803470651
  H        11.0036816911       20.5100255828       11.3906760313
  H        11.6220965633       17.4194963121       12.4007040842
  H        13.5304064489       17.5780641809       10.8195353327
  H        14.6744610633       17.2731872000       12.1426494602
  H        12.5740520482       15.2924837423       11.1142363229
  H        14.3240134526       15.2729478511       10.7927688781
  H        13.8717076380       13.6559164187       12.5776533099
  H        14.7414219964       14.9881538265       13.2840793037
  H        11.6828070983       14.7249167720       13.3948866915
  H        12.8256236284       14.5522665737       14.7617618450
  H        11.8144266275       16.8454279516       14.7046830566
  H        13.5860321601       16.7841675346       14.6540807479
  H        10.5185338987       18.9206390159       14.1593464013
  H        10.9155392799       20.6330766234       13.8971520199
  H        10.7431178713       20.3523221565       16.3608203906
  H        11.4098202539       18.7028000815       16.2355554936
  H        11.9030534222       22.1476336682       17.3389996682
  H        13.7740692295       22.0318648578       19.0360210253
  H        14.9481352543       21.9999400821       17.7496301905
  H        13.1448328372       24.3254652314       18.7109371634
  H        14.8745076671       24.3274720026       18.8036545696
  H        14.0719526814       25.8123994289       17.0196868918
  H        14.9722375263       24.5035896593       16.2437346636
  H        12.8603568807       24.7810920757       14.9983943080
  H        11.9494830437       24.4379422839       16.5031325079
  H        12.3940154839       22.3908468828       14.9417896298
  H        14.1195641251       22.6011433837       15.3025437885
  H        14.1736011462       19.6512546734       18.6271977444
  H        12.6104722315       17.2938876488       17.4320267587
  H        14.2875372722       17.6425443697       16.9843473716
  H        14.2410991577       15.9233063696       18.8978902604
  H        14.9771757458       17.4435067263       19.3773532679
  H        12.0968498455       16.5592895306       20.0268999673
  H        13.4875260171       16.7117473218       21.0945467174
  H        11.7919702409       18.5108710950       21.1989933012
  H        13.4264576314       19.1781129707       20.8535166710
  H        11.1767259762       19.0063828650       18.8126809133
  H        12.0473091309       20.4392150323       19.3896819799
  H        15.9360911801       19.4717099848       17.2724530551
  H        16.1567014488       21.8386525971       15.9460644265
  H        17.7667310495       21.4655360652       13.8673385000
  H        16.3042399223       19.6688648554       12.4759856687
  H        16.2681437123       17.3951010007       13.9517812472
  H        17.5701353058       17.7656158309       16.1264546956
  H        18.9595479036       19.1121150442       14.1555929878
  H        19.1146882847       20.0899814343       15.6429176821
 Rh         5.9933235400       10.0577002112       15.0027066592
  P         4.1913801728        9.5674776215       13.6472557096
  C         3.6332920247        7.8473831386       13.1099966326
  C         3.6199193942        6.9050798809       14.3150008791
  C         3.6598781055        5.4262239638       13.8909442586
  C         4.8599451878        5.0918527967       13.0015609905
  C         4.7455099925        5.8896704078       11.7009173885
  C         4.6329788756        7.3945347230       12.0329289551
  C         2.6238977135       10.2031160525       14.4038926841
  C         2.6441001606       10.1054293073       15.9277855924
  P         4.3656138663       10.6033768198       16.4939309311
  C         4.1630794340       12.3799908494       17.0150130629
  C         3.9909344223       13.2803739359       15.7594119329
  C         4.0627853185       14.7817217263       16.0911426228
  C         5.3623531901       15.0421518154       16.8918226278
  C         5.3836324554       14.2710035640       18.2267423632
  C         5.2988476010       12.7554122414       18.0010188572
  C         4.6520376797        9.7002488808       18.0594111876
  C         4.9697072914        8.2199773884       17.8226786092
  C         5.2299410976        7.4890872803       19.1345883170
  C         3.9954902374        7.5927193711       20.0435508752
  C         3.4327660666        9.8306512773       18.9697020262
  C         3.6916858061        9.0851083402       20.2861336339
  C         4.4239441401       10.5497708094       12.0868546261
  C         4.7492411636       12.0392236060       12.3540855055
  C         4.9785812142       12.7864224718       11.0180861521
  C         3.8543664250       12.5862816075        9.9880855587
  C         3.4686102392       11.1146457752        9.8200385576
  C         3.2160972550       10.3832305939       11.1508584824
  C         7.8943973290       11.2346766408       15.5892484744
  C         7.6071503298        8.6840642930       14.3569853938
  C         8.5301102754        8.9311674945       15.5692246249
  C         9.6522773032        9.7864757411       14.9039177038
  C         8.6567684002       10.8106004247       14.3089061945
  C         7.7771120918       10.0506801587       16.3403019243
  C         7.6726611271        9.8621072031       13.6014509088
  H         2.5910308798        7.9456271603       12.7529232647
  H         4.5024562145        7.1185110924       14.9284521871
  H         2.7320810756        7.1065037126       14.9292071420
  H         2.7656174556        5.1475670466       13.3151653952
  H         3.6724158907        4.8218951822       14.8011034091
  H         5.8104518092        5.3686721836       13.4813393828
  H         4.8998368547        4.0003320450       12.8533288798
  H         5.6237934392        5.7182475224       11.0611898687
  H         3.8848932925        5.5595159976       11.1048072934
  H         4.4044121833        7.9589198791       11.1303709481
  H         5.6109841396        7.7400322710       12.3951172036
  H         2.5127317668       11.2492710013       14.1039169681
  H         1.7996093052        9.6315715577       13.9701125706
  H         1.8795733927       10.7616068938       16.3666901838
  H         2.3795586463        9.0967788011       16.2720369253
  H         3.1911173241       12.4329016943       17.5351147418
  H         4.7362331856       13.0539128666       14.9857191698
  H         3.0002569379       13.0311947168       15.3447868687
  H         3.9312868725       15.3766519996       15.1624270686
  H         3.1806078987       15.0409346456       16.6921253793
  H         5.5680448650       16.1009634948       17.0981739595
  H         6.2494319509       14.6990526687       16.3327067019
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  F         7.3200163849       10.8340736119       -0.2825359342
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  C         5.1433192587        9.5108314641        3.7305183908
  C         5.7046441618       10.5061326486        2.8940496939
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  C         2.5177707706        7.8707156013        4.6338603996
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  F         0.2178346202        5.0599152020        4.3438632574
  F         0.6553621911        6.7205455670        2.9402379407
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  F         7.4215822005        7.0989183073        7.7845484902
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  F        11.2215861163        9.0217496963       20.1844029379
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  C        11.3633767827       11.0520358737       18.2096096772
  C        11.8503174638       12.0270403715       17.3375582330
  C        12.7266053071       11.7011148617       16.2925223255
  C        13.2402088531       10.4087819399       16.1146887854
  C        12.7830002530        9.4503637864       17.0372587694
  B        14.1497233460        9.9817755680       14.8171210107
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  C        15.8184047524       11.9856216342       15.3071962489
  C        16.7100785733       12.9783962281       14.8809023605
  C        17.0736054457       13.1067775442       13.5375124926
  C        16.4880595571       12.2591940032       12.5884789687
  C        15.5300216504       11.3281333030       13.0150614762
  C        16.8197932830       12.3892452227       11.1058505017
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  F        15.7422109128       12.8186646690       10.3428835741
  F        17.2229988957       11.1977362150       10.5481070420
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  F        18.1430092277       14.8406319929       15.3899674143
  F        17.8461540221       13.2614311147       16.9332349541
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  C        12.4848897714       10.6454554102       12.8399216501
  C        11.4996137606       10.4202187313       11.8605066005
  C        10.9985642506        9.1302204500       11.6532242847
  C        11.6118252034        8.0780244759       12.3409213312
  C        12.6586460252        8.2976632291       13.2442197340
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  F        11.9205768801        5.6958518290       12.4544623446
  F        10.0081470680        6.5027951167       13.1233961118
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  F        10.6257244246       12.6621875666       11.7334232519
  F        11.7480259197       11.8920671831        9.9857883951
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  C        15.8735587453        8.6220982886       16.3247570612
  C        16.7947188282        7.5878925824       16.4832193116
  C        17.0878017484        6.7065078539       15.4454158997
  C        16.4765550868        6.8681889311       14.2126806045
  C        15.5439182521        7.9105915219       14.0535659248
  C        17.4724755942        7.2635772294       17.7689811839
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  F        16.8019658862        6.2808078872       18.4608168428
  F        18.7260455981        6.7679832874       17.5196561151
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  F        10.4779364379       13.7390157047       16.4275304778
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  F        17.3723526219        6.5380555892       12.0133800854
  F        15.6552592267        5.2814204192       12.6004982849
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  H        12.9442063452       12.4881561103       15.5718225102
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  H        17.7948875127        5.9102909015       15.6403134630
  H        15.0706821752        8.0781613159       13.0871146348
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  F         3.3580449317       17.1051003094       18.6422548121
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  C         4.1188872311       19.0676172463       16.8734840413
  C         4.6676316862       20.0201158277       15.9809978888
  C         4.2650573561       21.3439332600       16.2063619341
  C         3.4753398062       21.6948807957       17.3031270235
  C         2.9928769693       20.7550394386       18.2076997404
  C         2.9358765796       23.0763270743       17.4400756461
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  F         3.9033856021       24.0335227129       17.3152309649
  F         1.9908513678       23.2915351850       16.4484869840
  B         5.6123651462       19.6345030580       14.6787157557
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  C         7.3371719780       18.3513354572       16.2287031742
  C         8.2744969148       17.3470851387       16.4750148539
  C         8.6219155758       16.4349128586       15.4861185833
  C         8.0380484118       16.5633270877       14.2243038692
  C         7.1326214293       17.6077982125       13.9566314280
  C         8.4067623506       15.5985363612       13.1359795027
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  F         9.2057524071       14.5701173563       13.5671806834
  F         9.1054558013       16.2384904727       12.1499130405
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  F        10.0197465518       16.5651381040       17.8932350758
  F         7.9755056768       16.4008182878       18.6735678548
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  C         7.2179733996       21.6489557834       15.2599132300
  C         8.1928100453       22.5941610117       14.9261851930
  C         8.6334382914       22.7412696210       13.6028199108
  C         8.0492168683       21.9424616307       12.6152671726
  C         7.0970614520       20.9813270051       12.9666539581
  C         8.3895768111       22.1068013183       11.1588052386
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  F         9.3633282874       23.0334458319       10.9302423654
  F         7.3102449749       22.5101592119       10.4015373957
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  F         7.6882181968       24.3487452523       16.5036279956
  F         9.2760638670       22.8950883616       17.0092335629
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  C         4.0847515715       17.9316143632       13.2679073661
  C         3.1164708768       17.6652968798       12.2884324125
  C         2.6081973876       18.6631181055       11.4652443822
  C         3.0230188589       19.9858737583       11.6799148934
  C         4.0115035889       20.2426483584       12.6439060080
  C         2.3928513393       21.1113778213       10.8848837122
  F         2.3581940264       20.7809874762        9.5448788024
  F         1.0834126525       21.3854144595       11.2400953890
  F         3.0294275967       22.3132575233       11.0111382801
  C         2.5097386514       16.2964065145       12.1818192926
  F         1.9242566297       16.0472554155       10.9731304290
  F         3.4230631129       15.3067967302       12.4022883391
  F         1.5205251716       16.1204133429       13.1349550426
  H         4.3395451940       18.0101581942       16.7546621974
  H         4.5476061961       22.0989696696       15.4775371084
  H         2.3786635132       21.1304108518       19.0220980480
  H         7.0941189313       19.0283093037       17.0435333940
  H         9.3371430498       15.6558985938       15.7275954540
  H         6.7346962377       17.7978899425       12.9529159735
  H         6.8295756611       21.5956282128       16.2757567699
  H         9.3614541911       23.5159826775       13.3804583475
  H         6.6636410074       20.3505837274       12.1952335121
  H         4.4500910879       17.0869848876       13.8559079934
  H         1.9442685016       18.3221977010       10.6726344537
  H         4.3810681097       21.2590410436       12.7448345014
  F        15.6641138853        1.2840787992       -0.3104130550
  C        15.6957150952        1.6427489619        1.0168711059
  F        17.0242496099        1.9062418550        1.2998525611
  F        15.0332955785        2.8310975715        1.1468909333
  C        15.1140068072        0.5810091947        1.9103221241
  C        14.3298363076        0.9431590740        3.0198224188
  C        13.8127063791       -0.0224405610        3.9143627371
  C        14.2356450956       -1.3445717138        3.7051860702
  C        15.0102654132       -1.7135546191        2.5916070602
  C        15.4126748870       -0.7636309260        1.6510517907
  C        15.4860168514       -3.1248633313        2.3856225491
  F        16.0702106413       -3.3404542605        1.1651607168
  F        14.4818792584       -4.0478627272        2.4821636825
  F        16.4136898478       -3.4449317154        3.3550587081
  B        12.8206225042        0.2460180816        5.2101847281
  C        11.7087434623        1.4176518568        4.9422048962
  C        11.1402443106        1.4841825328        3.6536909014
  C        10.1804715156        2.4577809281        3.3156015363
  C         9.7280322686        3.3564635355        4.2940908756
  C        10.2804181239        3.3029741493        5.5808308789
  C        11.2500758801        2.3407097012        5.8945458241
  C         9.9437876402        4.2988660768        6.6631062862
  F        11.0680370547        4.8728525321        7.2241284480
  F         9.1764823532        5.3411274079        6.2268980425
  F         9.2877793894        3.6856218275        7.6994572033
  C         9.6385535539        2.7039560533        1.9114095205
  F         9.4814364660        1.5354014838        1.2326761578
  F         8.4005921493        3.3385786372        1.9070419164
  F        10.4337541315        3.5172784096        1.1155168945
  C        11.8381130943       -1.0359175785        5.5603725532
  C        11.3262890171       -1.9297120104        4.6004545859
  C        10.3153214784       -2.8425537067        4.9128937120
  C         9.8201600376       -2.9991164040        6.2081136559
  C        10.3249967593       -2.1300640721        7.1839727120
  C        11.2877653512       -1.1706469772        6.8493085898
  C         9.9505093786       -2.2054823541        8.6401228178
  F         9.5845504580       -0.9769750885        9.1545396832
  F         8.9157376006       -3.0584420353        8.8693269687
  F        11.0080280754       -2.6052690919        9.4330403639
  C         9.7491068354       -3.7069501823        3.8350623410
  F         8.8053081725       -4.5648695258        4.3111451279
  F        10.7088290651       -4.4531565178        3.2088988191
  F         9.1295188318       -2.9625262534        2.8500684752
  C        13.8754338190        0.5741981860        6.4006477836
  C        14.3695281370        1.8773204765        6.6145571600
  C        15.3170442612        2.1877072176        7.6038227586
  C        15.7981080627        1.1667211245        8.4283668508
  C        15.3897326789       -0.1402934591        8.1503829151
  C        14.4686544378       -0.4528864759        7.1586353238
  C        16.0202843027       -1.2312875895        8.9316790181
  F        16.0424406341       -0.8735449181       10.2610743486
  F        17.3228334914       -1.4848781634        8.5632891290
  F        15.3699638727       -2.4172393807        8.7922522344
  C        15.8946556748        3.5808883004        7.6629796830
  F        16.4751722728        3.8700070762        8.8617008954
  F        14.9524198684        4.5400998907        7.3996076161
  F        16.8608102199        3.7880129993        6.6773611076
  H        14.0964549913        2.0023046461        3.1428627520
  H        13.8413710974       -2.0708436576        4.4174340241
  H        15.9368628640       -1.0911242657        0.7538173544
  H        11.5542088616        0.7672735256        2.9448003627
  H         8.9883135158        4.0800185471        3.9637615029
  H        11.7061233820        2.3684232190        6.8854049059
  H        11.7305102780       -1.9623820320        3.5895616539
  H         9.1521335538       -3.8357084978        6.3979189804
  H        11.6397080984       -0.5468866107        7.6675601324
  H        14.0090905929        2.6719239500        5.9600081572
  H        16.5123053093        1.3520238753        9.2250851075
  H        14.2327021065       -1.5044631273        6.9773477151
  H        10.6970138123       11.8308780547        4.7599107152
  H        11.9812705154       10.4635034442        3.4908896533
     646
 i =       32, E =         0.0316944697
 Rh         3.6033489573        0.2496656815        4.8248407958
  P         5.3562961545        0.6257176787        6.2696413648
  C         5.3104208847       -0.2802952308        7.8849655101
  C         4.7855370403       -1.7123597486        7.6535628184
  C         4.4866649847       -2.4000037275        8.9917276854
  C         5.6734034242       -2.2185056206        9.9536746569
  C         6.1898326724       -0.7869344260       10.1599472944
  C         6.5430139325       -0.1454610508        8.8149325809
  C         5.6457166067        2.3808271508        6.7682586441
  C         4.6766060695        2.7891956798        7.9101641122
  C         4.6216476479        4.3069134148        8.1536499294
  C         4.5319607553        5.1002861458        6.8513155218
  C         5.7442170623        4.7843724241        5.9772666933
  C         5.5776901882        3.3213062470        5.5375499007
  C         6.9660949446        0.0803169478        5.4649256344
  C         6.9044897773        0.2142220034        3.9442744446
  P         5.2859802208       -0.2502043075        3.2472118557
  C         5.4837936499       -2.0370707595        2.7202226734
  C         4.3252475610       -2.4566482632        1.7926640118
  C         4.3884047825       -3.9438413898        1.4193561072
  C         4.2137054352       -4.7732116051        2.7052189846
  C         5.3414969932       -4.4287296001        3.6970838298
  C         5.4105315115       -2.9042638142        3.9954527486
  C         5.2442423599        0.7336382693        1.6894392466
  C         4.9364819041        2.2485517827        1.9253141699
  C         4.4059705057        2.8266183395        0.5978964938
  C         5.4531989205        2.6124683602       -0.5019900707
  C         5.9383370182        1.1690560615       -0.6704569205
  C         6.4185088327        0.5802521541        0.6706115981
  C         1.9011709358        0.2830049090        3.4585637958
  C         1.9041167335       -0.9752641285        4.0668448937
  C         1.0512742956       -0.8558641079        5.3314234608
  C         1.8814332495        0.1029749432        6.2232787868
  C         1.8296562320        1.3663460866        5.6269584850
  C         1.0032343914        1.1873691642        4.3297984161
  C        -0.0336961062        0.1748823897        4.8976363614
  H         4.5087797743        0.2108161817        8.4594311673
  H         5.4889636148       -2.3646038322        7.1164283854
  H         3.9065411697       -1.6351085105        6.9887991912
  H         4.3702593689       -3.4746871516        8.7838787960
  H         3.5534277436       -2.0591155649        9.4663757684
  H         5.4367868951       -2.6486654110       10.9312229989
  H         6.5163208767       -2.7956883046        9.5479159416
  H         7.1027268346       -0.8414454128       10.7758105643
  H         5.4911910156       -0.1269288069       10.7024792897
  H         6.8211372454        0.9068616913        8.9996591125
  H         7.4375303906       -0.6599806662        8.4453149378
  H         6.6740718268        2.3513720308        7.1675017727
  H         4.9894930579        2.2743460629        8.8337282865
  H         3.6582761538        2.4516196834        7.6694158471
  H         5.5202926406        4.6240578049        8.7016163614
  H         3.7505082078        4.5782597809        8.7665889564
  H         4.4639658403        6.1687280978        7.0775585977
  H         3.6009324759        4.8444782331        6.3126635766
  H         6.6579334916        4.9239979386        6.5788554503
  H         5.8279958046        5.4742782645        5.1251995032
  H         6.3131258770        3.0238769601        4.7779858983
  H         4.5888006744        3.2398132444        5.0469215916
  H         7.8017191246        0.7017115089        5.8014524508
  H         7.1420769538       -0.9478780935        5.8089748849
  H         7.6926057459       -0.3212076580        3.3948844408
  H         6.9941010646        1.2815236267        3.6881569285
  H         6.4767412950       -2.1526204289        2.2578421741
  H         4.2001030080       -1.8127129876        0.9122871117
  H         3.4292650333       -2.3315949950        2.4201217280
  H         5.3321801907       -4.1534331700        0.8919929071
  H         3.6057748593       -4.2116824890        0.6958085428
  H         4.1404981024       -5.8388529226        2.4425533506
  H         3.2372117640       -4.5365433438        3.1528454773
  H         5.2631589343       -4.9515064818        4.6630004108
  H         6.2623151435       -4.7728433664        3.2116874612
  H         6.2472171885       -2.6586578241        4.6614792955
  H         4.5125835720       -2.5490199014        4.5358614976
  H         4.3732719747        0.2423230972        1.2329509552
  H         5.8551223194        2.7699060306        2.2490497206
  H         4.2169619101        2.4232565686        2.7421870033
  H         4.2391825522        3.9160012631        0.6135741003
  H         3.4311022684        2.3461282718        0.4123593074
  H         6.2738334856        3.2701491694       -0.1734390381
  H         5.0855465563        2.9791280909       -1.4663469054
  H         6.6924384253        1.0974796135       -1.4748751591
  H         5.0998457996        0.5410505706       -1.0071065845
  H         7.2951715283        1.1391146240        1.0238378747
  H         6.7149450164       -0.4661773658        0.5126437912
  H         2.2946046837        0.5420398405        2.4784787986
  H         2.2051131752       -1.9192645277        3.6213555373
  H         0.7497464507       -1.7974556462        5.7992737390
  H         2.0313404891       -0.0149076888        7.2881049049
  H         1.8862192554        2.3000353861        6.2000650874
  H         0.6456575520        2.0977296066        3.8376091066
  H        -0.4957709122        0.6028496899        5.7996584403
  H        -0.7876404035       -0.1661133015        4.1852480013
 Rh        14.7353757441       19.6578451694       14.9140276647
  P        12.9103328908       19.2100001475       13.4782212392
  C        13.0655986765       20.2147873146       11.9512276864
  C        13.4867332168       21.6660904458       12.2537147231
  C        13.8047391685       22.3367182259       10.9181624437
  C        12.6657880711       22.2293316458        9.9010517595
  C        12.2649771476       20.7723788329        9.6425838970
  C        11.9021627548       20.0607205184       10.9544935695
  C        12.6286841453       17.4786552390       12.8393942661
  C        13.6552939323       17.0513239481       11.7777019163
  C        13.5601271843       15.5387922579       11.5332159211
  C        13.7792493435       14.7297827939       12.8157785549
  C        12.6558081907       15.0528005082       13.7992939748
  C        12.6657850370       16.5631045938       14.0773354081
  C        11.2947339893       19.6855065481       14.3339958569
  C        11.4979592259       19.7365429802       15.8626079966
  P        13.1446716131       20.1988049487       16.5395828321
  C        12.9477629033       21.9826353465       17.0047821448
  C        13.9867893185       22.4566680695       18.0460510273
  C        14.0439092652       23.9988336455       18.1667705206
  C        14.0690695764       24.7349080631       16.8227885463
  C        12.8983159186       24.2680527216       15.9621984898
  C        13.1049752790       22.7717597365       15.6957250119
  C        13.2842650306       19.2204272902       18.1284810261
  C        13.5488768149       17.7319802264       17.8015025131
  C        14.0241898116       16.9933071572       19.0594091162
  C        13.0193437241       17.1397340821       20.1981357439
  C        12.5883950850       18.5943779996       20.4467723344
  C        12.1494454639       19.3678239218       19.1716259962
  C        16.4148572717       19.6596682201       16.3214823699
  C        16.4626873054       20.8543028437       15.6020731170
  C        17.3629586008       20.5883425804       14.3794987625
  C        16.5057374334       19.5835458795       13.5471107736
  C        16.4867115031       18.4035795303       14.2949694759
  C        17.3096749990       18.6661838682       15.5718231831
  C        18.4044062061       19.6041104218       14.9668738921
  H        13.9831173399       19.8026365221       11.4805530864
  H        12.7577826385       22.2630645009       12.8252557111
  H        14.4128440651       21.5775601017       12.8592581984
  H        14.1167768800       23.3804190836       11.0628440389
  H        14.6528860595       21.7662001266       10.5097754653
  H        12.9956142784       22.6513221482        8.9415709747
  H        11.7898790633       22.8055730945       10.2317248944
  H        11.4485382614       20.7683214960        8.9030202018
  H        13.1097106491       20.2386048708        9.1701357357
  H        11.6691670673       18.9997795383       10.7805577508
  H        11.0002652128       20.5084612916       11.3874535542
  H        11.6182461796       17.4200505951       12.3984194036
  H        13.5254575715       17.5765942417       10.8159455552
  H        14.6704941643       17.2743259761       12.1388076716
  H        12.5691487516       15.2905133536       11.1179998436
  H        14.3180871759       15.2717895613       10.7908356812
  H        13.8770527545       13.6582384764       12.5811671281
  H        14.7414595740       14.9957896314       13.2841734892
  H        11.6839400550       14.7211069873       13.3983342603
  H        12.8290704059       14.5560227195       14.7644496482
  H        11.8102711879       16.8466680222       14.7015639509
  H        13.5820716236       16.7878920450       14.6521594151
  H        10.5182811484       18.9137086536       14.1687632678
  H        10.9062309771       20.6267104158       13.8967868137
  H        10.7454601181       20.3571816212       16.3640348587
  H        11.4118729930       18.7072834901       16.2411407586
  H        11.9041549456       22.1529526566       17.3334985639
  H        13.7690963887       22.0423606971       19.0389956061
  H        14.9475064320       22.0028029198       17.7567387953
  H        13.1447360603       24.3339911698       18.7061147749
  H        14.8740712877       24.3366859600       18.7990972642
  H        14.0693149641       25.8165936967       17.0118189695
  H        14.9719525921       24.5081605320       16.2385060460
  H        12.8588027850       24.7788468963       14.9923932554
  H        11.9496598852       24.4329598459       16.4973287911
  H        12.4102444333       22.3850604292       14.9350664308
  H        14.1318838075       22.6033152641       15.3086179529
  H        14.1714117442       19.6524813540       18.6313166405
  H        12.6069490888       17.2965861466       17.4351952810
  H        14.2829426214       17.6447214047       16.9832218269
  H        14.2424145415       15.9252076387       18.8973416884
  H        14.9782379174       17.4461102630       19.3748454981
  H        12.1012632533       16.5575099280       20.0326081792
  H        13.4947498775       16.7150661446       21.0955273258
  H        11.7924362364       18.5079736916       21.2011291288
  H        13.4249440308       19.1801294593       20.8554390777
  H        11.1743851248       19.0089312733       18.8158341382
  H        12.0467992311       20.4401432814       19.3935220529
  H        15.9280081316       19.4724389615       17.2704543400
  H        16.1545451362       21.8393083743       15.9442259785
  H        17.7692410127       21.4636877465       13.8687226473
  H        16.3088958421       19.6647364374       12.4764454067
  H        16.2705222240       17.3932651924       13.9552610495
  H        17.5672813716       17.7666662396       16.1321772687
  H        18.9582794351       19.1093509562       14.1589083686
  H        19.1158256109       20.0892669424       15.6445345047
 Rh         5.9952108510       10.0581870134       15.0020077387
  P         4.1918635090        9.5644384084       13.6493936107
  C         3.6279988488        7.8457512571       13.1104517586
  C         3.6117974925        6.9014352561       14.3137744001
  C         3.6552770434        5.4232350762       13.8872668490
  C         4.8588628308        5.0914885787       13.0014762075
  C         4.7450565212        5.8885103045       11.7002978591
  C         4.6271322362        7.3929754406       12.0327457664
  C         2.6252075002       10.2018515540       14.4052173247
  C         2.6455858009       10.1053143978       15.9288366431
  P         4.3678263959       10.6045047434       16.4922115267
  C         4.1633620192       12.3805214992       17.0137358163
  C         3.9865522413       13.2815383859       15.7590526641
  C         4.0595864819       14.7825959749       16.0918841915
  C         5.3619915918       15.0413097441       16.8889707864
  C         5.3859147908       14.2713888553       18.2246037977
  C         5.2991428343       12.7558228772       18.0000304616
  C         4.6564543381        9.7027418706       18.0575110215
  C         4.9772044589        8.2230705335       17.8217961148
  C         5.2362866748        7.4933802385       19.1345711688
  C         3.9983610667        7.5938242582       20.0394836738
  C         3.4344849648        9.8301639222       18.9643368912
  C         3.6916494878        9.0858081659       20.2814203316
  C         4.4254750415       10.5473110633       12.0894928857
  C         4.7474040223       12.0376511713       12.3567444941
  C         4.9736788169       12.7866626586       11.0209664914
  C         3.8518059258       12.5814239200        9.9891766332
  C         3.4701291252       11.1085731797        9.8224881882
  C         3.2186875063       10.3769231528       11.1530624574
  C         7.8997246448       11.2359527473       15.5865680648
  C         7.6078173553        8.6820792116       14.3586675037
  C         8.5317595796        8.9308882549       15.5698010598
  C         9.6545187037        9.7836266109       14.9019543675
  C         8.6598364485       10.8078874695       14.3058849807
  C         7.7804640452       10.0529866195       16.3391204864
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 Rh        12.6431557015        9.6566637627        4.6896888592
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  C        10.7319333495        9.9550885653        3.5922209602
  C        10.8403597637        9.1279787153        6.1805889262
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  H        11.5150879055        7.1965818125        5.1828710282
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  F         7.3201038200       10.8340774467       -0.2820729446
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  C         7.1390224782        8.8897564991        1.7486177206
  C         6.5147925550        7.8778901712        2.4738576104
  C         5.5318480904        8.1845881092        3.4289106741
  C         5.1428402775        9.5117619066        3.7296769658
  C         5.7046758539       10.5070799379        2.8932311506
  B         4.2344884222        9.8665218766        5.0622985668
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  C         2.5148170670        7.8712734394        4.6330892875
  C         1.6370481517        6.8724661335        5.0790069323
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  C         1.9536055307        7.6307964448        7.3387511128
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  C         1.6078658999        7.5483779170        8.8084730636
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  F         2.6887258757        7.1634290062        9.5532611108
  F         1.1732693768        8.7394085189        9.3240471974
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  F         0.2120601740        5.0609197531        4.3436599642
  F         0.6545864181        6.7206484084        2.9404387041
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  C         1.8289280466       13.0321559042        5.5462376682
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  C         1.1019888348       12.3883053651        1.9253476824
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  F         1.8762766065       13.1620016335        1.1028374299
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  F         7.4872224759        5.8848956415        3.3011681846
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  F         0.9409605281       13.3781913264        7.7214767329
  F         2.7028104545       14.5669624245        7.1281125796
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  H         5.0373656102        7.3448674898        3.9211418918
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  H         5.3170689383       12.3219495979        6.0641153410
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  H         0.5817400664       13.9909599802        4.0131135226
  H         3.0980086112       11.8838213931        6.8492055105
  F         9.9780750176        8.3851790129       18.4778650613
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  F        11.2217988012        9.0217962522       20.1849722007
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  C        11.3616490479       11.0523497092       18.2097937308
  C        11.8488407486       12.0271712960       17.3382772372
  C        12.7249780531       11.7012581752       16.2926474949
  C        13.2397594505       10.4094631158       16.1158007966
  C        12.7842264825        9.4516339432       17.0397911363
  B        14.1494115302        9.9817218908       14.8183674832
  C        15.1688172108       11.1708113111       14.3701171444
  C        15.8202311475       11.9836702548       15.3091080416
  C        16.7105597597       12.9771202893       14.8817445004
  C        17.0730107676       13.1058283809       13.5382727080
  C        16.4867673657       12.2587145154       12.5890712824
  C        15.5283401209       11.3285987014       13.0163740306
  C        16.8177572922       12.3889541892       11.1061227820
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  F        15.7410972698       12.8185572467       10.3425288565
  F        17.2226631764       11.1979480288       10.5479165397
  C        17.2439907593       13.9375626905       15.9010361212
  F        16.2474260809       14.6768568050       16.4859662909
  F        18.1428384650       14.8406929965       15.3895223355
  F        17.8464399764       13.2616545489       16.9332391211
  C        13.0884608624        9.6020318369       13.5847412006
  C        12.4847821882       10.6448017624       12.8407412450
  C        11.4992223751       10.4204482481       11.8615800610
  C        10.9965162597        9.1307942015       11.6553922800
  C        11.6119039952        8.0779684910       12.3404696956
  C        12.6608478919        8.2964389410       13.2413860996
  C        11.0225609830        6.7030625744       12.2126560360
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  F        11.9204984336        5.6959149594       12.4541590065
  F        10.0081167290        6.5028912483       13.1232542322
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  F        10.6255105079       12.6624729894       11.7333967396
  F        11.7477029647       11.8920920417        9.9859729086
  C        15.1889069821        8.7707345585       15.1107917798
  C        15.8747550339        8.6249992718       16.3253660092
  C        16.7958257948        7.5893626394       16.4832272064
  C        17.0873980773        6.7083364808       15.4454598315
  C        16.4771648429        6.8688846564       14.2136083307
  C        15.5437122755        7.9120888356       14.0546096124
  C        17.4730888346        7.2665901815       17.7686978202
  F        17.6193067323        8.3293256272       18.6162131483
  F        16.8033288562        6.2828912032       18.4594798934
  F        18.7290604582        6.7757378900       17.5196456770
  C        11.3800741035       13.4412290077       17.4372846370
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  F        10.4778419277       13.7392038024       16.4274416024
  F        12.4007541019       14.3425762294       17.3006605917
  F        17.6267631009        4.8934754181       13.4744157244
  F        17.3722645842        6.5383784692       12.0130975093
  F        15.6552050657        5.2818507544       12.6003202771
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  H        10.6159897294       11.2893003922       18.9710988954
  H        12.9405255848       12.4882456418       15.5713834436
  H        13.1488481402        8.4352783064       16.9743159699
  H        15.6573686377       11.8219840483       16.3770248046
  H        17.7926260247       13.8661042198       13.2572210987
  H        15.0304505201       10.7001691211       12.2793024562
  H        12.7874157932       11.6644287533       13.0829617178
  H        10.1044141762        8.9587403848       11.0559130013
  H        13.0972822115        7.3997508605       13.6900917201
  H        15.7189170518        9.3451973145       17.1236032594
  H        17.7950271410        5.9114895880       15.6415023383
  H        15.0703271649        8.0804688941       13.0887881024
  F         2.7284186902       18.6277304684       20.1291582002
  C         2.6929104123       18.3020741088       18.7951404766
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  F         3.3582309768       17.1062921689       18.6429260173
  C         3.2842504023       19.4111792149       17.9525780587
  C         4.1190294057       19.0690868383       16.8750721116
  C         4.6678842920       20.0207298847       15.9812767802
  C         4.2650324827       21.3447623952       16.2056765400
  C         3.4773041422       21.6964188227       17.3031059569
  C         2.9957766582       20.7576262663       18.2097393551
  C         2.9364506984       23.0771015614       17.4401894517
  F         2.3024247323       23.2916403473       18.6347026130
  F         3.9035133244       24.0342434320       17.3154116711
  F         1.9908658842       23.2916387624       16.4489314398
  B         5.6128960785       19.6349219537       14.6789484223
  C         6.7049183818       18.4717987435       14.9800253651
  C         7.3399938139       18.3540875987       16.2282223168
  C         8.2765281744       17.3485201842       16.4741996766
  C         8.6223140529       16.4361163376       15.4855916738
  C         8.0394809179       16.5650140970       14.2235838434
  C         7.1353082972       17.6110840874       13.9558378368
  C         8.4068953104       15.5992037731       13.1354354889
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  F         9.2055131095       14.5705059230       13.5670950914
  F         9.1050237048       16.2384928015       12.1483971106
  C         8.7970617796       17.1699233213       17.8621560301
  F         8.9170366425       18.3765618087       18.4915841448
  F        10.0201992654       16.5652659690       17.8931675401
  F         7.9761086263       16.4018045652       18.6718284160
  C         6.6465025006       20.8233752086       14.2824500787
  C         7.2183932731       21.6485125886       15.2612435303
  C         8.1946000485       22.5924531031       14.9284339139
  C         8.6366646175       22.7388636132       13.6054475569
  C         8.0521080251       21.9409613455       12.6177835380
  C         7.0983666023       20.9811137386       12.9678816626
  C         8.3907238451       22.1064880019       11.1615471232
  F         8.8110460528       20.9009241979       10.6319936465
  F         9.3633716470       23.0335187389       10.9303735849
  F         7.3091966983       22.5114993645       10.4070858720
  C         8.6848139691       23.5686441470       15.9595569423
  F         9.5836073192       24.4579033191       15.4274814174
  F         7.6879900150       24.3483600563       16.5039027503
  F         9.2761465935       22.8948056439       17.0107004720
  C         4.5772229670       19.2369633546       13.4616197140
  C         4.0867627011       17.9301431008       13.2684918597
  C         3.1183867514       17.6640226695       12.2886702456
  C         2.6108822065       18.6609845610       11.4645124526
  C         3.0243709500       19.9841554351       11.6789021685
  C         4.0132666001       20.2408436486       12.6429311571
  C         2.3931254308       21.1103088502       10.8850218860
  F         2.3578229143       20.7808728834        9.5449634061
  F         1.0835219398       21.3837992595       11.2413087345
  F         3.0289985565       22.3126862451       11.0116260317
  C         2.5102949258       16.2958831063       12.1830457143
  F         1.9239297656       16.0470884720       10.9752562473
  F         3.4230665816       15.3061192234       12.4029427318
  F         1.5205020600       16.1204451090       13.1357010857
  H         4.3388111022       18.0114134660       16.7568409482
  H         4.5460236017       22.0986163824       15.4747068813
  H         2.3837607363       21.1353294015       19.0244794889
  H         7.0986350394       19.0318518766       17.0427181934
  H         9.3366034571       15.6560121959       15.7273674792
  H         6.7387731609       17.8034787420       12.9520547618
  H         6.8281507390       21.5958217428       16.2764233081
  H         9.3657662118       23.5126570586       13.3835800163
  H         6.6644597280       20.3509461007       12.1963134091
  H         4.4521957433       17.0856041396       13.8565277690
  H         1.9488903420       18.3181549437       10.6707785913
  H         4.3837731417       21.2569429222       12.7425026927
  F        15.6630478290        1.2841070467       -0.3108664531
  C        15.6943297944        1.6428610301        1.0163334530
  F        17.0224473376        1.9064977240        1.2996565710
  F        15.0318896401        2.8314549680        1.1455574007
  C        15.1125989293        0.5814275120        1.9104100531
  C        14.3306751230        0.9445860932        3.0213955839
  C        13.8134889048       -0.0206693006        3.9165169921
  C        14.2368206756       -1.3425896448        3.7081534385
  C        15.0086650075       -1.7126165397        2.5935654385
  C        15.4087521737       -0.7637473651        1.6505190959
  C        15.4839121205       -3.1232913776        2.3864287676
  F        16.0632979598       -3.3326326052        1.1639820197
  F        14.4808038204       -4.0477006492        2.4821630840
  F        16.4131763594       -3.4447161383        3.3539852046
  B        12.8204354299        0.2450178079        5.2124559683
  C        11.7069319336        1.4154461203        4.9454123851
  C        11.1390706999        1.4803342319        3.6563547357
  C        10.1798601005        2.4541475724        3.3163570035
  C         9.7265203400        3.3530115866        4.2942746322
  C        10.2781520783        3.3010383924        5.5813177024
  C        11.2480300497        2.3395236581        5.8965978884
  C         9.9418279630        4.2983442573        6.6621296267
  F        11.0664365993        4.8730324554        7.2178807354
  F         9.1746773290        5.3410025823        6.2264094319
  F         9.2867570315        3.6858980302        7.6996191294
  C         9.6383154515        2.7026362288        1.9118578609
  F         9.4806294502        1.5350958106        1.2321070613
  F         8.4003743425        3.3384504369        1.9072014499
  F        10.4331808916        3.5167042299        1.1163450543
  C        11.8391708152       -1.0387484872        5.5612239645
  C        11.3291493821       -1.9335101132        4.6012601708
  C        10.3160874944       -2.8443433287        4.9126923989
  C         9.8191231106       -3.0007151193        6.2071722153
  C        10.3231548727       -2.1319328131        7.1835539127
  C        11.2866752476       -1.1728415690        6.8493422711
  C         9.9477443063       -2.2063660976        8.6396369249
  F         9.5843862912       -0.9770803843        9.1541743325
  F         8.9103668012       -3.0568844616        8.8695274161
  F        11.0065745974       -2.6058597492        9.4306698127
  C         9.7489957839       -3.7075095693        3.8346501836
  F         8.8045904454       -4.5649771306        4.3104511054
  F        10.7083428900       -4.4533272591        3.2079910883
  F         9.1292648897       -2.9624154290        2.8501304166
  C        13.8747859698        0.5729286658        6.4027508475
  C        14.3689781434        1.8762145290        6.6164115037
  C        15.3158120273        2.1875035772        7.6056789864
  C        15.7961053115        1.1668072934        8.4316881236
  C        15.3889756461       -0.1404984179        8.1518672403
  C        14.4692418256       -0.4538784086        7.1600151997
  C        16.0202639398       -1.2312885817        8.9321441656
  F        16.0424774248       -0.8734932588       10.2612643219
  F        17.3226951006       -1.4847569004        8.5630633786
  F        15.3699707116       -2.4172248127        8.7921029293
  C        15.8930915651        3.5809257851        7.6634999094
  F        16.4748804329        3.8704298982        8.8614696253
  F        14.9491785553        4.5395558568        7.3997979991
  F        16.8573288064        3.7882076024        6.6768914621
  H        14.0992169566        2.0043344474        3.1442678002
  H        13.8439249011       -2.0674145295        4.4226323928
  H        15.9285670998       -1.0926792739        0.7512815969
  H        11.5546234562        0.7617526570        2.9499978923
  H         8.9865397078        4.0753910531        3.9623538040
  H        11.7041160123        2.3693880086        6.8875317912
  H        11.7364804978       -1.9691823014        3.5917013058
  H         9.1512000146       -3.8376188615        6.3955025743
  H        11.6375207689       -0.5489947197        7.6679825276
  H        14.0088373428        2.6702167564        5.9607578073
  H        16.5079728594        1.3519397265        9.2302828683
  H        14.2354461967       -1.5059048594        6.9776547587
  H        10.6932987501       11.8350601273        4.7536778204
  H        11.9581636533       10.4479697449        3.4940653383
     646
 i =       33, E =         0.0306158158
 Rh         3.6019004753        0.2492197477        4.8247077658
  P         5.3550004794        0.6246272305        6.2687525469
  C         5.3123592407       -0.2791075834        7.8856162680
  C         4.7842840013       -1.7102614974        7.6557423118
  C         4.4865950206       -2.3972908858        8.9944799152
  C         5.6730957200       -2.2126056806        9.9562519010
  C         6.1910295494       -0.7812984609       10.1610597999
  C         6.5456182185       -0.1428756468        8.8149668301
  C         5.6451896496        2.3795357284        6.7670085560
  C         4.6768738906        2.7871276678        7.9102664559
  C         4.6169683459        4.3051168053        8.1522467051
  C         4.5302505772        5.0976837875        6.8491166936
  C         5.7469484438        4.7829745410        5.9802872296
  C         5.5775153145        3.3209956476        5.5370583917
  C         6.9649251020        0.0787583603        5.4637866134
  C         6.9027565174        0.2130952813        3.9433700380
  P         5.2846765026       -0.2500459308        3.2456656698
  C         5.4816978247       -2.0370427004        2.7176631655
  C         4.3225307652       -2.4567270310        1.7908786412
  C         4.3891845894       -3.9429178807        1.4137202475
  C         4.2108161646       -4.7736581985        2.6983688043
  C         5.3354310298       -4.4291521449        3.6941224045
  C         5.4053019335       -2.9044906517        3.9926528824
  C         5.2490237311        0.7350236961        1.6882491622
  C         4.9420009175        2.2505366448        1.9236833565
  C         4.4073407527        2.8256342372        0.5964118188
  C         5.4524294665        2.6096033760       -0.5053103743
  C         5.9411031231        1.1670198276       -0.6714985077
  C         6.4247784585        0.5824457260        0.6703412355
  C         1.9004890789        0.2838446508        3.4576661393
  C         1.9042659562       -0.9759207689        4.0630593079
  C         1.0507243333       -0.8605616373        5.3272934504
  C         1.8793731653        0.0975651506        6.2217113044
  C         1.8256743875        1.3625841054        5.6285904554
  C         1.0004629532        1.1849681352        4.3301834851
  C        -0.0353397837        0.1705210438        4.8969252499
  H         4.5122008983        0.2129754522        8.4612316127
  H         5.4841993005       -2.3646947630        7.1168195922
  H         3.9041892215       -1.6299614944        6.9929617045
  H         4.3739845609       -3.4724952088        8.7870597370
  H         3.5518073880       -2.0596878582        9.4684679551
  H         5.4374070981       -2.6420120643       10.9342847986
  H         6.5161616670       -2.7892845828        9.5502662647
  H         7.1039376445       -0.8372252323       10.7768610926
  H         5.4942247184       -0.1187122443       10.7028915672
  H         6.8239953838        0.9097966045        8.9978882328
  H         7.4405493292       -0.6583079081        8.4476740127
  H         6.6737724543        2.3486999668        7.1652991374
  H         4.9937028839        2.2744963268        8.8337630961
  H         3.6592688975        2.4454889633        7.6724413400
  H         5.5127000163        4.6251801664        8.7032770659
  H         3.7428481042        4.5748632411        8.7616466053
  H         4.4581194205        6.1659440763        7.0744587698
  H         3.6022412368        4.8386965450        6.3067055961
  H         6.6575186006        4.9180863052        6.5877741787
  H         5.8378836227        5.4754536147        5.1310151962
  H         6.3107263319        3.0225893708        4.7759706449
  H         4.5877328174        3.2429311526        5.0480359721
  H         7.8005349600        0.7005085779        5.7993261365
  H         7.1409639932       -0.9492341816        5.8081054531
  H         7.6905920790       -0.3210330312        3.3924403748
  H         6.9907973912        1.2806514476        3.6882305258
  H         6.4749050563       -2.1533841056        2.2561566960
  H         4.1908542086       -1.8097727767        0.9137427146
  H         3.4288162490       -2.3379301769        2.4228016691
  H         5.3348361008       -4.1503622826        0.8888939784
  H         3.6093173689       -4.2108062732        0.6872396457
  H         4.1382052188       -5.8391398300        2.4351891477
  H         3.2325760551       -4.5372007651        3.1423147388
  H         5.2538629748       -4.9514658134        4.6599540480
  H         6.2573948191       -4.7742181183        3.2117854632
  H         6.2401768862       -2.6596550792        4.6609870022
  H         4.5062971914       -2.5479492170        4.5303173036
  H         4.3792368252        0.2448154001        1.2287950968
  H         5.8618284649        2.7722628443        2.2432801255
  H         4.2255500480        2.4269276531        2.7426453872
  H         4.2408954669        3.9150949713        0.6091016058
  H         3.4319451196        2.3444298162        0.4154320961
  H         6.2720505029        3.2697488513       -0.1793478838
  H         5.0826689956        2.9733954575       -1.4698681330
  H         6.6935907938        1.0962506572       -1.4774981799
  H         5.1038756483        0.5356044300       -1.0048980166
  H         7.2995448785        1.1451422278        1.0219674855
  H         6.7251709849       -0.4631702421        0.5144429606
  H         2.2970278594        0.5461303965        2.4797681180
  H         2.2068609315       -1.9184652596        3.6157008298
  H         0.7505101910       -1.8039010246        5.7926896330
  H         2.0252640508       -0.0210825911        7.2870940205
  H         1.8753728782        2.2942582598        6.2061501416
  H         0.6415945376        2.0954015966        3.8389487914
  H        -0.4947797089        0.5965238450        5.8015048607
  H        -0.7916858587       -0.1683149009        4.1860554279
 Rh        14.7346672187       19.6584923600       14.9129676779
  P        12.9068967314       19.2093724314       13.4785046688
  C        13.0617509138       20.2146811460       11.9523261058
  C        13.4848460592       21.6653934779       12.2547684647
  C        13.8035858090       22.3342172920       10.9186014655
  C        12.6656845067       22.2264203382        9.9002942627
  C        12.2656322568       20.7692981581        9.6418577842
  C        11.8999527915       20.0592632442       10.9537954122
  C        12.6249375138       17.4789370127       12.8370851014
  C        13.6511211167       17.0514483824       11.7750012813
  C        13.5564703145       15.5384094297       11.5333000961
  C        13.7800660960       14.7322707223       12.8170352035
  C        12.6563004581       15.0533551988       13.8008555442
  C        12.6624422024       16.5642116788       14.0754780493
  C        11.2916440306       19.6830724438       14.3370834986
  C        11.4986566158       19.7399762806       15.8651942780
  P        13.1456820529       20.2012422907       16.5412954942
  C        12.9502212465       21.9856739741       17.0042093342
  C        13.9858848972       22.4625687653       18.0478337927
  C        14.0437636841       24.0055999265       18.1630111661
  C        14.0683937371       24.7387589654       16.8171965242
  C        12.8994422123       24.2670526704       15.9566366375
  C        13.1134943699       22.7711509346       15.6936182490
  C        13.2827670400       19.2224265764       18.1306944799
  C        13.5465232970       17.7340212162       17.8025061722
  C        14.0249327565       16.9951105422       19.0590512002
  C        13.0226369939       17.1407397304       20.2000697720
  C        12.5882987281       18.5944885976       20.4486553316
  C        12.1478839179       19.3689646211       19.1742015717
  C        16.4120615319       19.6606430577       16.3221415647
  C        16.4616301074       20.8546460661       15.6018516048
  C        17.3638421519       20.5872194838       14.3810277634
  C        16.5073310669       19.5815063638       13.5484546028
  C        16.4871846865       18.4023890755       14.2977963363
  C        17.3082779392       18.6664280002       15.5755549954
  C        18.4042157787       19.6029740985       14.9701246121
  H        13.9799215810       19.8026604412       11.4824427380
  H        12.7585483325       22.2642439460       12.8278282306
  H        14.4118800988       21.5742200417       12.8589485840
  H        14.1172702090       23.3776236742       11.0616534534
  H        14.6508704588       21.7612076018       10.5116626294
  H        12.9971039207       22.6478345085        8.9410899707
  H        11.7890049226       22.8025019527       10.2291847028
  H        11.4514133292       20.7646250290        8.8997732934
  H        13.1117781690       20.2351423949        9.1721703924
  H        11.6679494420       18.9979235457       10.7807696271
  H        10.9968573266       20.5069169874       11.3842361639
  H        11.6143769054       17.4206185524       12.3961611389
  H        13.5204691880       17.5751429226       10.8123732012
  H        14.6665525058       17.2754775890       12.1349801989
  H        12.5642464524       15.2885377870       11.1217685306
  H        14.3121787964       15.2706120315       10.7888990729
  H        13.8823888436       13.6605649765       12.5847008169
  H        14.7415165265       15.0034417988       13.2842591350
  H        11.6850816092       14.7173089951       13.4017917442
  H        12.8325241036       14.5597639931       14.7671569381
  H        11.8060654194       16.8478783585       14.6985187895
  H        13.5781338269       16.7916398239       14.6503179599
  H        10.5180553423       18.9068002926       14.1781233776
  H        10.8969850809       20.6203393420       13.8965063933
  H        10.7477328484       20.3620589124       16.3672286286
  H        11.4138157267       18.7117098437       16.2467886929
  H        11.9053023615       22.1582606232       17.3279983020
  H        13.7640913313       22.0529033295       19.0418971136
  H        14.9468815477       22.0057632417       17.7638781121
  H        13.1446268690       24.3425372980       18.7012775644
  H        14.8736228854       24.3458885344       18.7945001116
  H        14.0666278747       25.8207811221       17.0039176332
  H        14.9716814572       24.5127820717       16.2333186397
  H        12.8572950055       24.7765885177       14.9863550595
  H        11.9498762063       24.4279804279       16.4914696016
  H        12.4264719310       22.3792956628       14.9283958238
  H        14.1441337258       22.6055226961       15.3146752531
  H        14.1692736885       19.6537196253       18.6353805323
  H        12.6033924231       17.2992612455       17.4383791800
  H        14.2783752780       17.6468957256       16.9820759456
  H        14.2437169661       15.9271047605       18.8967714817
  H        14.9793298394       17.4487360359       19.3723425708
  H        12.1056816351       16.5557217325       20.0383004042
  H        13.5019602097       16.7184122050       21.0965517920
  H        11.7928632461       18.5051580225       21.2032658703
  H        13.4234501543       19.1821477269       20.8574218044
  H        11.1720748958       19.0114508813       18.8189799788
  H        12.0462767123       20.4410881935       19.3973798997
  H        15.9200541217       19.4732148791       17.2685225463
  H        16.1524218702       21.8399387061       15.9423806991
  H        17.7717045536       21.4617994508       13.8701198308
  H        16.3135314633       19.6606172281       12.4769492107
  H        16.2728440060       17.3914356445       13.9587491005
  H        17.5644359272       17.7677236456       16.1378989223
  H        18.9570216951       19.1065973773       14.1623163420
  H        19.1168755612       20.0885120641       15.6462119001
 Rh         5.9970099602       10.0586825339       15.0012935854
  P         4.1925122696        9.5614528977       13.6516342761
  C         3.6227360362        7.8441066068       13.1108994371
  C         3.6036622732        6.8978077694       14.3125730700
  C         3.6506497068        5.4202177018       13.8836002147
  C         4.8577756191        5.0911162404       13.0014192059
  C         4.7446328527        5.8873542581       11.6996840100
  C         4.6213423177        7.3914332600       12.0325506581
  C         2.6264530586       10.2006167443       14.4065084644
  C         2.6470480190       10.1052193228       15.9298879828
  P         4.3702154449       10.6056023064       16.4903666847
  C         4.1636294282       12.3810670683       17.0124611485
  C         3.9821354481       13.2827011940       15.7587165234
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  H        15.0699636434        8.0827702698       13.0903450872
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  F         3.3584394296       17.1075765010       18.6436957972
  C         3.2851931771       19.4132770522       17.9548730815
  C         4.1193510493       19.0705542580       16.8764370877
  C         4.6680528492       20.0213169953       15.9816718204
  C         4.2651705851       21.3455098744       16.2047281731
  C         3.4789489055       21.6978035636       17.3034159289
  C         2.9988110437       20.7601474993       18.2115382176
  C         2.9370110348       23.0778835635       17.4402791948
  F         2.3025183431       23.2917683282       18.6348784464
  F         3.9035926306       24.0348986677       17.3156127654
  F         1.9908664211       23.2917213104       16.4493762822
  B         5.6134008729       19.6353781540       14.6792094611
  C         6.7072119376       18.4740409741       14.9799072801
  C         7.3429961636       18.3565822152       16.2277085342
  C         8.2783010006       17.3504033603       16.4735486108
  C         8.6229783640       16.4369843169       15.4850434266
  C         8.0406824974       16.5669066594       14.2226156971
  C         7.1381610140       17.6141383814       13.9550883353
  C         8.4070573466       15.5998904491       13.1348971861
  F         7.3049899317       15.0337186805       12.5445635155
  F         9.2053009824       14.5708803587       13.5669951426
  F         9.1045369439       16.2384753677       12.1466391647
  C         8.7980686379       17.1707634775       17.8614297168
  F         8.9173397422       18.3769403788       18.4917393756
  F        10.0207052160       16.5653961032       17.8931212593
  F         7.9766990462       16.4028525749       18.6699214055
  C         6.6468953267       20.8236261987       14.2832098611
  C         7.2187496865       21.6480767543       15.2626183904
  C         8.1963582334       22.5908798922       14.9305686389
  C         8.6399634300       22.7365149645       13.6081633244
  C         8.0549816179       21.9394078368       12.6201518621
  C         7.0996703039       20.9808725957       12.9692578045
  C         8.3917146744       22.1063006903       11.1638471072
  F         8.8105193705       20.9012464373       10.6320656914
  F         9.3634161006       23.0335613962       10.9305874622
  F         7.3084272280       22.5123067689       10.4109112787
  C         8.6851211030       23.5679995186       15.9612677770
  F         9.5837143434       24.4577169345       15.4307463276
  F         7.6877124455       24.3479401135       16.5041813465
  F         9.2762410432       22.8944538814       17.0120095390
  C         4.5788550649       19.2357725111       13.4614072657
  C         4.0886279170       17.9287963253       13.2689321433
  C         3.1204781018       17.6626501931       12.2892243348
  C         2.6133757709       18.6589908338       11.4635791485
  C         3.0259193606       19.9825472633       11.6780486938
  C         4.0148866333       20.2390980109       12.6418147264
  C         2.3934067409       21.1091999641       10.8851611403
  F         2.3574494929       20.7807773552        9.5450385030
  F         1.0836242496       21.3818889155       11.2426760027
  F         3.0285452287       22.3120989455       11.0121173953
  C         2.5108308580       16.2954300406       12.1842724615
  F         1.9236447014       16.0469299692       10.9772745339
  F         3.4230656320       15.3054577598       12.4036287986
  F         1.5204829294       16.1204782464       13.1364691679
  H         4.3381065898       18.0126521385       16.7589854677
  H         4.5444093973       22.0982225854       15.4719899795
  H         2.3887955894       21.1401717102       19.0269237865
  H         7.1031062667       19.0354059928       17.0419325787
  H         9.3360024938       15.6561814625       15.7271276047
  H         6.7428262558       17.8090046084       12.9511753008
  H         6.8267511104       21.5960448142       16.2771133329
  H         9.3701120975       23.5093674873       13.3867044233
  H         6.6653220223       20.3513630117       12.1973874906
  H         4.4542891075       17.0842483909       13.8571586733
  H         1.9534960584       18.3142153773       10.6689905551
  H         4.3864535939       21.2548888968       12.7402094070
  F        15.6618900991        1.2841178569       -0.3113197308
  C        15.6928691047        1.6430238729        1.0158089567
  F        17.0204873062        1.9067411207        1.2995418829
  F        15.0303546334        2.8318215088        1.1440272331
  C        15.1111544091        0.5818123055        1.9105309228
  C        14.3314730345        0.9460524261        3.0229995219
  C        13.8142103995       -0.0187859669        3.9187100014
  C        14.2379106409       -1.3405866859        3.7112751052
  C        15.0070355271       -1.7115278183        2.5955717073
  C        15.4047738339       -0.7637338229        1.6501232622
  C        15.4815167919       -3.1214796935        2.3873559676
  F        16.0562410990       -3.3241293485        1.1631736210
  F        14.4795900145       -4.0475298039        2.4821955337
  F        16.4126826547       -3.4444940685        3.3527486715
  B        12.8202329910        0.2440289928        5.2147356033
  C        11.7051304064        1.4132844973        4.9485709717
  C        11.1379314051        1.4765060998        3.6590293730
  C        10.1792089840        2.4506019320        3.3171083057
  C         9.7250664863        3.3495360363        4.2945383290
  C        10.2757209522        3.2990032596        5.5816458871
  C        11.2460104743        2.3383547271        5.8986926946
  C         9.9396618134        4.2977191176        6.6608392050
  F        11.0650680398        4.8733931429        7.2093777189
  F         9.1723913763        5.3408332778        6.2258586244
  F         9.2857755587        3.6862754967        7.6997975974
  C         9.6380674010        2.7013070409        1.9123097370
  F         9.4797996482        1.5347835480        1.2315318558
  F         8.4001773449        3.3383159675        1.9073789000
  F        10.4326355026        3.5161001860        1.1172247432
  C        11.8402651871       -1.0415521407        5.5621292872
  C        11.3319765840       -1.9373402634        4.6020888885
  C        10.3168633340       -2.8461834350        4.9125164697
  C         9.8181099907       -3.0022649243        6.2062805119
  C        10.3212507194       -2.1337443338        7.1830782210
  C        11.2855225695       -1.1750815965        6.8494984704
  C         9.9450023114       -2.2071042115        8.6390083445
  F         9.5841899217       -0.9771143668        9.1538444666
  F         8.9060999867       -3.0557277553        8.8698689321
  F        11.0051209687       -2.6065415020        9.4277456029
  C         9.7488916851       -3.7080757137        3.8342503460
  F         8.8038383794       -4.5651035625        4.3097250530
  F        10.7078569900       -4.4535181310        3.2070047515
  F         9.1290273348       -2.9622865952        2.8502033946
  C        13.8741878774        0.5717766609        6.4048639262
  C        14.3682953043        1.8751048437        6.6181124365
  C        15.3147299773        2.1871582419        7.6078216160
  C        15.7939060881        1.1669132479        8.4347283602
  C        15.3885819625       -0.1404459184        8.1536949271
  C        14.4695864074       -0.4549738414        7.1611424110
  C        16.0202385431       -1.2313488109        8.9326376317
  F        16.0425125570       -0.8734146623       10.2614398394
  F        17.3225825710       -1.4846299139        8.5628705923
  F        15.3699827456       -2.4172251018        8.7919811123
  C        15.8912105798        3.5810114953        7.6640332515
  F        16.4745532485        3.8708855946        8.8611988107
  F        14.9451442698        4.5388027916        7.4001753077
  F        16.8527002086        3.7884801175        6.6762695383
  H        14.1019575505        2.0063111163        3.1457307208
  H        13.8465197895       -2.0640705748        4.4278526208
  H        15.9203288279       -1.0941602918        0.7488064232
  H        11.5549726512        0.7562812830        2.9551196286
  H         8.9847640133        4.0708345529        3.9610256394
  H        11.7021013927        2.3703106079        6.8895977851
  H        11.7424350572       -1.9759381902        3.5938440898
  H         9.1502136494       -3.8394943111        6.3931521859
  H        11.6353577173       -0.5510752900        7.6684145609
  H        14.0085956104        2.6685088485        5.9615630288
  H        16.5037414026        1.3518981001        9.2355400587
  H        14.2381606589       -1.5073441820        6.9779997243
  H        10.6896783335       11.8393175076        4.7474753363
  H        11.9353357679       10.4321672248        3.4972135515
     646
 i =       34, E =         0.0319415867
 Rh         3.6002383367        0.2487817172        4.8245442691
  P         5.3542223396        0.6236005050        6.2682114196
  C         5.3142219065       -0.2779170605        7.8862248481
  C         4.7830926636       -1.7081242260        7.6580279963
  C         4.4865496537       -2.3945556981        8.9972725572
  C         5.6728253587       -2.2066973472        9.9588657670
  C         6.1922356901       -0.7756422727       10.1621592975
  C         6.5482163901       -0.1402502042        8.8149485374
  C         5.6445530101        2.3782297332        6.7657176683
  C         4.6772176001        2.7851149856        7.9103569931
  C         4.6122729850        4.3033073479        8.1508064001
  C         4.5286154845        5.0950578600        6.8469411060
  C         5.7496141780        4.7815159081        5.9833417254
  C         5.5774857344        3.3207781941        5.5367850481
  C         6.9636509342        0.0772098107        5.4625720756
  C         6.9009727651        0.2119355120        3.9425810059
  P         5.2837837200       -0.2500035562        3.2438082518
  C         5.4794689258       -2.0369812368        2.7151914099
  C         4.3198536144       -2.4568029591        1.7890750083
  C         4.3899610311       -3.9419664595        1.4080723959
  C         4.2079368493       -4.7740779490        2.6914753867
  C         5.3293470432       -4.4295636581        3.6911211375
  C         5.4001019342       -2.9047835240        3.9897472318
  C         5.2538374172        0.7364691844        1.6870952057
  C         4.9475862440        2.2524382575        1.9218308819
  C         4.4088117802        2.8246243698        0.5949421419
  C         5.4516790073        2.6066900529       -0.5086119547
  C         5.9438891713        1.1649810682       -0.6725037743
  C         6.4310394063        0.5846203755        0.6700931798
  C         1.8996576526        0.2845047470        3.4570196704
  C         1.9042478600       -0.9764326211        4.0592303358
  C         1.0502719998       -0.8652798651        5.3231490949
  C         1.8771796696        0.0922095401        6.2201575576
  C         1.8215618591        1.3586838511        5.6303062026
  C         0.9977293282        1.1825578413        4.3305992546
  C        -0.0370192200        0.1661511254        4.8962457279
  H         4.5155799399        0.2151780158        8.4629971383
  H         5.4794965099       -2.3647498305        7.1171920948
  H         3.9017604083       -1.6248547504        6.9971342658
  H         4.3777122435       -3.4702823974        8.7903157241
  H         3.5502628625       -2.0602040897        9.4705772422
  H         5.4380360574       -2.6353203865       10.9373946861
  H         6.5160298014       -2.7829037535        9.5527001103
  H         7.1051508948       -0.8329291673       10.7779159354
  H         5.4972462772       -0.1104990476       10.7032732374
  H         6.8268518071        0.9127112420        8.9960683769
  H         7.4435077311       -0.6566323268        8.4499744608
  H         6.6735228171        2.3460585870        7.1631130940
  H         4.9979165569        2.2746801678        8.8338066516
  H         3.6602423138        2.4393255938        7.6754365607
  H         5.5050356722        4.6263056653        8.7049525839
  H         3.7351296720        4.5714173090        8.7566894394
  H         4.4522862508        6.1631971136        7.0713434340
  H         3.6035405942        4.8329426740        6.3007239351
  H         6.6570806852        4.9121469207        6.5966935821
  H         5.8477735551        5.4766133819        5.1368647238
  H         6.3084690476        3.0212977129        4.7738958444
  H         4.5865532917        3.2460019999        5.0490534679
  H         7.7993812873        0.6993121447        5.7972951743
  H         7.1398666085       -0.9506394255        5.8072381386
  H         7.6886131253       -0.3208735319        3.3900275659
  H         6.9875730535        1.2798717502        3.6882911447
  H         6.4730262897       -2.1541133840        2.2544694250
  H         4.1816548140       -1.8068459488        0.9152011051
  H         3.4283142759       -2.3442301176        2.4253703287
  H         5.3374871393       -4.1472559956        0.8858243921
  H         3.6128881535       -4.2098641227        0.6786677587
  H         4.1359705582       -5.8394313707        2.4277860152
  H         3.2279578575       -4.5378806516        3.1317407437
  H         5.2444802852       -4.9514476675        4.6568852032
  H         6.2524647398       -4.7755854169        3.2119200287
  H         6.2331685555       -2.6606704603        4.6605354608
  H         4.4999130164       -2.5468924393        4.5248523352
  H         4.3851384846        0.2473123133        1.2245878242
  H         5.8686335475        2.7746439261        2.2374994769
  H         4.2340578169        2.4306417749        2.7432173602
  H         4.2426013496        3.9142295004        0.6046777251
  H         3.4328106501        2.3427170074        0.4184612338
  H         6.2703284925        3.2693407881       -0.1853609248
  H         5.0797515426        2.9676172548       -1.4734173279
  H         6.6948045167        1.0949991049       -1.4800792868
  H         5.1079544988        0.5301405575       -1.0027068313
  H         7.3038734192        1.1511984244        1.0201072451
  H         6.7354177111       -0.4601102396        0.5162782705
  H         2.2994136843        0.5502826640        2.4809328478
  H         2.2086304112       -1.9176157178        3.6100355519
  H         0.7513139467       -1.8102638345        5.7860372529
  H         2.0192668649       -0.0273522232        7.2859891171
  H         1.8646809092        2.2884189031        6.2121587133
  H         0.6375352688        2.0930696165        3.8403680501
  H        -0.4938062721        0.5900878174        5.8031844691
  H        -0.7955791506       -0.1705371273        4.1868898104
 Rh        14.7338962957       19.6591251102       14.9119491386
  P        12.9035765331       19.2087624935       13.4788854933
  C        13.0579311961       20.2145443917       11.9534116123
  C        13.4829758318       21.6646964543       12.2558418330
  C        13.8024703915       22.3317161685       10.9190109228
  C        12.6655967565       22.2235182183        9.8995075468
  C        12.2663055342       20.7661991585        9.6411197283
  C        11.8977226443       20.0578065466       10.9531102629
  C        12.6211141186       17.4792163570       12.8347886662
  C        13.6469655396       17.0516069742       11.7723022816
  C        13.5528061229       15.5380079159       11.5333519903
  C        13.7809301430       14.7347571020       12.8183077519
  C        12.6567764179       15.0538955894       13.8024518003
  C        12.6590977870       16.5653563613       14.0737440471
  C        11.2885082662       19.6806090567       14.3401839518
  C        11.4992547458       19.7433609144       15.8678558655
  P        13.1467445818       20.2036461589       16.5428959626
  C        12.9526675736       21.9887506675       17.0036164487
  C        13.9849765188       22.4685217588       18.0495827462
  C        14.0435898642       24.0124187687       18.1592194303
  C        14.0676931422       24.7426364074       16.8115641179
  C        12.9006055666       24.2660554004       15.9510172236
  C        13.1220534445       22.7705386824       15.6914559810
  C        13.2812746838       19.2244620196       18.1329223524
  C        13.5441603974       17.7360583400       17.8034487354
  C        14.0257135865       16.9969404097       19.0587109466
  C        13.0259276052       17.1417447655       20.2020513139
  C        12.5882109050       18.5946445124       20.4505870403
  C        12.1463261485       19.3701322175       19.1767953192
  C        16.4092134590       19.6615705186       16.3229017074
  C        16.4605232501       20.8550475487       15.6016039927
  C        17.3647187293       20.5860673095       14.3825546313
  C        16.5088687932       19.5794646907       13.5497937800
  C        16.4875769442       18.4011788332       14.3006395244
  C        17.3068764653       18.6666540167       15.5792991398
  C        18.4039820198       19.6018278025       14.9734220793
  H        13.9766376824       19.8026318961       11.4843805142
  H        12.7592831055       22.2653818170       12.8302923337
  H        14.4108214481       21.5709353298       12.8586349454
  H        14.1177628946       23.3748174210       11.0604626554
  H        14.6488687076       21.7562703819       10.5135405989
  H        12.9985921208       22.6443588089        8.9405992203
  H        11.7881526047       22.7994409133       10.2266435157
  H        11.4542990233       20.7608890680        8.8965740889
  H        13.1138186211       20.2316828031        9.1742394127
  H        11.6667245560       18.9961087021       10.7809878098
  H        10.9934607293       20.5053830690       11.3810024930
  H        11.6105204184       17.4212019730       12.3939435371
  H        13.5154183601       17.5736799522       10.8088672721
  H        14.6625362391       17.2766340026       12.1311224495
  H        12.5593685865       15.2865660034       11.1255699695
  H        14.3062097099       15.2694340001       10.7870042442
  H        13.8877182297       13.6629789550       12.5882771699
  H        14.7415310795       15.0111222226       13.2843005594
  H        11.6862960509       14.7135345621       13.4052922079
  H        12.8359843519       14.5635291934       14.7698414566
  H        11.8018680736       16.8490298148       14.6954825987
  H        13.5740929132       16.7954015184       14.6484868018
  H        10.5178913206       18.8999464975       14.1874618575
  H        10.8877964576       20.6138895010       13.8963473264
  H        10.7499558795       20.3669412418       16.3703732484
  H        11.4156463578       18.7162064984       16.2524795233
  H        11.9065317573       22.1635824442       17.3224760248
  H        13.7590284160       22.0635331095       19.0447302764
  H        14.9462450491       22.0088519655       17.7710752916
  H        13.1445052028       24.3511335279       18.6964023891
  H        14.8731597166       24.3551134944       18.7898521125
  H        14.0638684163       25.8250120210       16.9959616222
  H        14.9714402809       24.5174800620       16.2281472556
  H        12.8558329495       24.7743049245       14.9802694442
  H        11.9501505318       24.4229944273       16.4855241374
  H        12.4428221235       22.3735906132       14.9218577062
  H        14.1562818983       22.6077898009       15.3207488136
  H        14.1671595768       19.6549689502       18.6393787339
  H        12.5998632979       17.3019602503       17.4416201577
  H        14.2737297952       17.6490903721       16.9810008079
  H        14.2449899393       15.9290772168       18.8961829003
  H        14.9803987643       17.4513693847       19.3698164534
  H        12.1101757420       16.5539616223       20.0439991362
  H        13.5091436629       16.7218344498       21.0975628990
  H        11.7932810841       18.5024285682       21.2053748880
  H        13.4219326383       19.1841504328       20.8594564545
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 Rh        12.6550483154        9.6448373700        4.6964317140
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  C        14.7545585176       14.3237219030        5.9793936808
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  C        13.1654099796       12.3528371313        7.4909369648
  C        15.9599291072        9.7120728372        5.4016571867
  C        15.8672533200        9.9237902914        3.8837275119
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  C        14.5449776355        6.6840922703        3.9092363506
  C        14.4452775179        5.1949052735        3.5610500289
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  C         5.1419795922        9.5135780804        3.7278525775
  C         5.7046566681       10.5088040421        2.8918475703
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  F         0.2004155040        5.0630347681        4.3417867396
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  F         7.4211686602        7.0986447715        7.7854013493
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  F        11.2222207321        9.0219177242       20.1862448043
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  C        11.3579228516       11.0531880444       18.2104607941
  C        11.8462112493       12.0275718748       17.3392687459
  C        12.7216034029       11.7016120818       16.2930619059
  C        13.2389145063       10.4106316823       16.1179898036
  C        12.7864633938        9.4544085799       17.0449789928
  B        14.1487237685        9.9817547558       14.8207379507
  C        15.1686044221       11.1702158412       14.3733747870
  C        15.8236899823       11.9797055744       15.3126132657
  C        16.7115259450       12.9746710160       14.8835133407
  C        17.0718749248       13.1039886054       13.5395690552
  C        16.4840238595       12.2576916684       12.5903157023
  C        15.5248366279       11.3293793358       13.0190924390
  C        16.8131889101       12.3882198685       11.1067798072
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  F        15.7385759064       12.8182199871       10.3418646833
  F        17.2219688602       11.1984142569       10.5476336552
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  F        18.1424891957       14.8408419227       15.3886642571
  F        17.8470121605       13.2621328861       16.9332504794
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  C        12.4847318687       10.6435388389       12.8426256495
  C        11.4982735878       10.4208823901       11.8636543553
  C        10.9925596234        9.1319556784       11.6598177370
  C        11.6119311892        8.0778642599       12.3395713196
  C        12.6653432596        8.2942570801       13.2360060855
  C        11.0222967985        6.7030445807       12.2119680023
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  F        11.9203471976        5.6960804977       12.4535842593
  F        10.0080488654        6.5030966323       13.1230177676
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  F         9.7398501162       11.1813485037       10.4122716866
  F        10.6250833024       12.6630764302       11.7333662303
  F        11.7470788427       11.8921415626        9.9863715553
  C        15.1896073919        8.7731136013       15.1135542385
  C        15.8777685364        8.6300382212       16.3267215963
  C        16.7975988184        7.5934626012       16.4833079939
  C        17.0875984783        6.7110705200       15.4463853298
  C        16.4774221159        6.8709165287       14.2144174068
  C        15.5438599930        7.9146036828       14.0569825027
  C        17.4757155371        7.2722693764       17.7680197754
  F        17.6191609815        8.3322889358       18.6169281511
  F        16.8064359886        6.2879280656       18.4564062023
  F        18.7373940341        6.7846028234       17.5199529936
  C        11.3792913982       13.4419209317       17.4376489000
  F        10.7819393393       13.6814085751       18.6296032048
  F        10.4776353084       13.7396090799       16.4272433350
  F        12.4006370168       14.3425831419       17.3004694712
  F        17.6266694281        4.8953125728       13.4741889357
  F        17.3720334975        6.5390529797       12.0126290320
  F        15.6551355173        5.2828151781       12.6000330134
  C        16.7846617490        5.9092860255       13.0826264309
  H        10.6094798873       11.2896681589       18.9693197744
  H        12.9333306786       12.4884153041       15.5704918334
  H        13.1554539169        8.4395323352       16.9844001289
  H        15.6663666386       11.8141078037       16.3809009276
  H        17.7918055893       13.8642282314       13.2593651238
  H        15.0230322658       10.7026577114       12.2832993814
  H        12.7875868893       11.6625163015       13.0872910807
  H        10.0949567227        8.9621124760       11.0676107314
  H        13.1064099248        7.3953616356       13.6762274461
  H        15.7261967873        9.3524336170       17.1237838197
  H        17.7950109325        5.9142003178       15.6438244958
  H        15.0696990289        8.0850293233       13.0919888466
  F         2.7288365514       18.6275701773       20.1362378545
  C         2.6938946547       18.3047805870       18.7992424261
  F         1.3713461984       18.0172185683       18.5016723957
  F         3.3586836332       17.1090047170       18.6446052174
  C         3.2863309934       19.4151743156       17.9570819033
  C         4.1195007021       19.0719819800       16.8780689068
  C         4.6682884161       20.0218708428       15.9819802178
  C         4.2650981058       21.3462734676       16.2040398178
  C         3.4807075086       21.6992112981       17.3033874397
  C         3.0016534127       20.7625882883       18.2135983661
  C         2.9374795995       23.0785841405       17.4403991556
  F         2.3025751590       23.2919068543       18.6350843005
  F         3.9036771909       24.0355403760       17.3158130162
  F         1.9908591665       23.2917960050       16.4498162250
  B         5.6139038802       19.6357970748       14.6794577023
  C         6.7095360636       18.4762055495       14.9797450525
  C         7.3458075349       18.3593093161       16.2272115075
  C         8.2803616109       17.3518994065       16.4726642328
  C         8.6234068158       16.4381682863       15.4844863181
  C         8.0421426074       16.5686085734       14.2218365428
  C         7.1408410069       17.6173583757       13.9542825248
  C         8.4072250318       15.6006016884       13.1342309216
  F         7.3048248751       15.0339462666       12.5447870585
  F         9.2050772710       14.5713186563       13.5668829998
  F         9.1039516011       16.2383965037       12.1444441478
  C         8.7991047920       17.1717009331       17.8606936523
  F         8.9176627534       18.3773470772       18.4919069412
  F        10.0212120496       16.5655592653       17.8930483337
  F         7.9772690420       16.4039661418       18.6677393470
  C         6.6472591074       20.8238903550       14.2841480696
  C         7.2191204030       21.6477291970       15.2639391769
  C         8.1979859908       22.5893691654       14.9326877387
  C         8.6432740163       22.7341436782       13.6107637338
  C         8.0578071552       21.9379582585       12.6224164809
  C         7.1010561978       20.9806485213       12.9705207257
  C         8.3924626147       22.1061914102       11.1657035444
  F         8.8100072949       20.9015692580       10.6321618225
  F         9.3634339331       23.0336467100       10.9308126431
  F         7.3078266374       22.5126333943       10.4134477518
  C         8.6853868722       23.5673870110       15.9629769865
  F         9.5839828683       24.4577140527       15.4354009978
  F         7.6873479316       24.3474819079       16.5044869251
  F         9.2763041120       22.8940366688       17.0132194110
  C         4.5804653223       19.2347055430       13.4611633041
  C         4.0905749627       17.9274364881       13.2695163198
  C         3.1223184448       17.6614791727       12.2895527140
  C         2.6159891264       18.6569639492       11.4628604651
  C         3.0273493739       19.9808888116       11.6770423654
  C         4.0166382422       20.2373931658       12.6408449376
  C         2.3937038786       21.1080720997       10.8853227626
  F         2.3570626666       20.7806903897        9.5451312984
  F         1.0837287539       21.3794750799       11.2442893271
  F         3.0280407552       22.3115066594       11.0126194564
  C         2.5113557569       16.2949651744       12.1855194303
  F         1.9234335783       16.0468292736       10.9791454126
  F         3.4230465441       15.3047909735       12.4043488569
  F         1.5204584835       16.1205232914       13.1372516161
  H         4.3374456314       18.0138777938       16.7610832345
  H         4.5428044176       22.0978888055       15.4692687834
  H         2.3938551495       21.1449030885       19.0293403787
  H         7.1075668296       19.0389111986       17.0410963545
  H         9.3354535754       15.6562769652       15.7269057854
  H         6.7468871469       17.8144600542       12.9503241420
  H         6.8253639286       21.5963024842       16.2778377852
  H         9.3745006910       23.5061162809       13.3898540037
  H         6.6662135629       20.3518332719       12.1984685952
  H         4.4563485713       17.0829693552       13.8577716464
  H         1.9580228805       18.3103644271       10.6671931249
  H         4.3891045709       21.2529006812       12.7379461656
  F        15.6605637378        1.2841263806       -0.3117778799
  C        15.6912701306        1.6431903168        1.0152570060
  F        17.0183673533        1.9069829726        1.2995376802
  F        15.0286144783        2.8322288739        1.1421535500
  C        15.1096356666        0.5822867435        1.9106853715
  C        14.3322104797        0.9475169915        3.0246490059
  C        13.8148853383       -0.0169331085        3.9209606531
  C        14.2389550759       -1.3384742766        3.7144354640
  C        15.0052038461       -1.7102095101        2.5978248001
  C        15.4007716529       -0.7637120763        1.6497802143
  C        15.4788659271       -3.1193835956        2.3885198592
  F        16.0505402321       -3.3175611988        1.1629842174
  F        14.4781667734       -4.0472761949        2.4822391061
  F        16.4120919148       -3.4442289860        3.3512529958
  B        12.8200020361        0.2430642242        5.2170181048
  C        11.7033427331        1.4111622687        4.9517138566
  C        11.1367495437        1.4727536145        3.6616546832
  C        10.1786047388        2.4470273879        3.3178354583
  C         9.7235269930        3.3460695340        4.2946564872
  C        10.2731186130        3.2968011344        5.5819655382
  C        11.2439672494        2.3371672595        5.9007107709
  C         9.9371384333        4.2970532292        6.6590337240
  F        11.0640932524        4.8739400683        7.2014764631
  F         9.1692451084        5.3405517297        6.2252219798
  F         9.2849150120        3.6867931151        7.6999932773
  C         9.6378218725        2.6999671266        1.9127887321
  F         9.4789178144        1.5344686127        1.2309314598
  F         8.3999704241        3.3381963424        1.9075601026
  F        10.4321104663        3.5154645060        1.1181644093
  C        11.8413062219       -1.0444019632        5.5630897667
  C        11.3348322156       -1.9411439690        4.6029629736
  C        10.3176795382       -2.8480479158        4.9123568863
  C         9.8170540212       -3.0038361718        6.2053598470
  C        10.3192521177       -2.1354266696        7.1825533591
  C        11.2844090446       -1.1772792629        6.8496124318
  C         9.9424087743       -2.2077009695        8.6381981518
  F         9.5839542603       -0.9771052203        9.1535280174
  F         8.9033480122       -3.0551325623        8.8702515280
  F        11.0038085615       -2.6073014713        9.4238700971
  C         9.7488029124       -3.7086552773        3.8338217371
  F         8.8030335260       -4.5652392599        4.3089276053
  F        10.7073224842       -4.4537038333        3.2058979097
  F         9.1288051725       -2.9621469055        2.8502977212
  C        13.8735851285        0.5705579983        6.4069557884
  C        14.3677269478        1.8740224392        6.6199457821
  C        15.3133764128        2.1868902730        7.6097784728
  C        15.7919486233        1.1670321445        8.4380327321
  C        15.3878806572       -0.1406051921        8.1551594242
  C        14.4701845984       -0.4558987235        7.1625346626
  C        16.0202458229       -1.2313433723        8.9331388327
  F        16.0425624316       -0.8733485390       10.2616554960
  F        17.3224758858       -1.4845102233        8.5627153187
  F        15.3700098476       -2.4171859548        8.7918724984
  C        15.8888350887        3.5810811514        7.6647094096
  F        16.4741703978        3.8714294915        8.8608377955
  F        14.9400623448        4.5376780481        7.4008373633
  F        16.8462578053        3.7888672908        6.6752890930
  H        14.1046649146        2.0082955522        3.1472500166
  H        13.8491894140       -2.0607372931        4.4330496246
  H        15.9120578523       -1.0955033999        0.7464856950
  H        11.5552297406        0.7508764194        2.9601871703
  H         8.9829841291        4.0663357554        3.9597859050
  H        11.7000843810        2.3712045534        6.8916551117
  H        11.7483499864       -1.9826591087        3.5960563952
  H         9.1491815499       -3.8413016258        6.3908558454
  H        11.6331929657       -0.5531450104        7.6688493068
  H        14.0083360121        2.6668476929        5.9623868836
  H        16.4994325233        1.3518901943        9.2406694582
  H        14.2408347516       -1.5087296985        6.9783684365
  H        10.6861022844       11.8435981395        4.7412558829
  H        11.9135063872       10.4163349955        3.5002946474
     646
 i =       35, E =         0.0306638961
 Rh         3.5987027984        0.2483456952        4.8244171044
  P         5.3534169844        0.6225674815        6.2676370557
  C         5.3161028092       -0.2767128085        7.8868873032
  C         4.7818664532       -1.7060163766        7.6602671507
  C         4.4865583356       -2.3918086870        9.0001107173
  C         5.6725839557       -2.2007826136        9.9615339708
  C         6.1934624887       -0.7699567365       10.1632400571
  C         6.5507648525       -0.1376444753        8.8149385799
  C         5.6440281998        2.3769707662        6.7645022802
  C         4.6775047358        2.7830971831        7.9104450994
  C         4.6075516913        4.3014944629        8.1493567940
  C         4.5269636364        5.0924668261        6.8447711382
  C         5.7522994503        4.7800736553        5.9864431329
  C         5.5774258111        3.3205220595        5.5364073484
  C         6.9624536439        0.0756492138        5.4614454018
  C         6.8992731646        0.2108162280        3.9417507100
  P         5.2828581667       -0.2499442241        3.2419542440
  C         5.4772799695       -2.0369429260        2.7126874301
  C         4.3171108135       -2.4568509626        1.7872552742
  C         4.3907401957       -3.9409763295        1.4024249004
  C         4.2050497323       -4.7745002370        2.6845434349
  C         5.3232505576       -4.4299881837        3.6880990288
  C         5.3948396966       -2.9050558801        3.9869402574
  C         5.2586686683        0.7378889832        1.6858616134
  C         4.9531609346        2.2543863015        1.9200745886
  C         4.4103026038        2.8236218987        0.5934379315
  C         5.4509539804        2.6037754248       -0.5119534307
  C         5.9467057192        1.1629150295       -0.6735058184
  C         6.4372801337        0.5868215382        0.6698225711
  C         1.8988417920        0.2853865779        3.4561125707
  C         1.9041745483       -0.9771914325        4.0554455435
  C         1.0497851634       -0.8699751538        5.3190211611
  C         1.8749273118        0.0867509165        6.2186605511
  C         1.8174100195        1.3548445500        5.6320458729
  C         0.9949275352        1.1801205395        4.3311013606
  C        -0.0386509227        0.1617264903        4.8955376093
  H         4.5189064265        0.2174340971        8.4647167932
  H         5.4748144776       -2.3647187849        7.1175861880
  H         3.8993633354       -1.6197963917        7.0013936162
  H         4.3814372742       -3.4680273747        8.7936505900
  H         3.5487913126       -2.0606541406        9.4727124390
  H         5.4386763374       -2.6285812907       10.9405474644
  H         6.5159306005       -2.7765524672        9.5552208558
  H         7.1063611538       -0.8285486480       10.7789714971
  H         5.5002506936       -0.1022918533       10.7036143084
  H         6.8297112906        0.9156457493        8.9942001471
  H         7.4464162180       -0.6549644485        8.4521992609
  H         6.6732723725        2.3434821772        7.1609409242
  H         5.0021290956        2.2749120763        8.8338444270
  H         3.6612769892        2.4331626476        7.6784160359
  H         5.4972920623        4.6274385807        8.7066429477
  H         3.7273647908        4.5679129077        8.7516981407
  H         4.4464799760        6.1604550905        7.0682051821
  H         3.6048675782        4.8272310716        6.2947446227
  H         6.6565787989        4.9061883539        6.6055903021
  H         5.8576429578        5.4777137491        5.1427836418
  H         6.3062671804        3.0200516727        4.7718806929
  H         4.5854789229        3.2490307507        5.0500761789
  H         7.7982329733        0.6980818945        5.7953238044
  H         7.1387705910       -0.9520536038        5.8063534036
  H         7.6866710567       -0.3207082525        3.3876908522
  H         6.9844141499        1.2791065678        3.6883612657
  H         6.4710614398       -2.1548292083        2.2527897687
  H         4.1725184373       -1.8039507508        0.9166794354
  H         3.4277975003       -2.3504964359        2.4277789452
  H         5.3401309325       -4.1441173209        0.8827827250
  H         3.6164779119       -4.2088483472        0.6700951042
  H         4.1337923291       -5.8397038660        2.4203494553
  H         3.2233798951       -4.5385837175        3.1211129834
  H         5.2350052755       -4.9514267821        4.6537555437
  H         6.2475203696       -4.7769538985        3.2120898708
  H         6.2261250571       -2.6617286681        4.6600633656
  H         4.4935545922       -2.5458992993        4.5193942958
  H         4.3910286413        0.2498373629        1.2203740168
  H         5.8754520996        2.7769967947        2.2316691149
  H         4.2426316984        2.4343480253        2.7437209778
  H         4.2443126183        3.9133458432        0.6003096344
  H         3.4337444962        2.3410106231        0.4214496353
  H         6.2686485811        3.2689078266       -0.1914931732
  H         5.0768029972        2.9617701886       -1.4769542834
  H         6.6960680056        1.0937263266       -1.4826021006
  H         5.1120896613        0.5246651295       -1.0005293064
  H         7.3081525724        1.1572835156        1.0182578507
  H         6.7456844668       -0.4570303604        0.5181444700
  H         2.3016354460        0.5544129184        2.4822331378
  H         2.2103765136       -1.9166355370        3.6043865788
  H         0.7521455101       -1.8165904113        5.7793351195
  H         2.0133483429       -0.0337254416        7.2848263694
  H         1.8541385708        2.2825032580        6.2180827621
  H         0.6334739119        2.0907568626        3.8418532362
  H        -0.4929249397        0.5835921141        5.8048072294
  H        -0.7993848096       -0.1728140718        4.1876847862
 Rh        14.7331164253       19.6597435438       14.9109654376
  P        12.9002640354       19.2081493860       13.4793138843
  C        13.0540813260       20.2144099231       11.9545256901
  C        13.4810849133       21.6639861031       12.2568425779
  C        13.8013436170       22.3292186764       10.9194018030
  C        12.6655167572       22.2206106395        9.8987104278
  C        12.2669759213       20.7631139027        9.6404119907
  C        11.8955007775       20.0563685142       10.9524310364
  C        12.6173037884       17.4795090939       12.8325541828
  C        13.6427295313       17.0517471009       11.7696278055
  C        13.5491216355       15.5376242709       11.5334379570
  C        13.7817598254       14.7373017122       12.8195781506
  C        12.6572934694       15.0544738529       13.8040770644
  C        12.6557124467       16.5664811864       14.0720091358
  C        11.2853862099       19.6781105882       14.3433399973
  C        11.4997872526       19.7467351868       15.8705105739
  P        13.1477721986       20.2060450879       16.5444607799
  C        12.9551600611       21.9918393737       17.0029587183
  C        13.9840304643       22.4745462557       18.0512765618
  C        14.0433825155       24.0192770198       18.1553740620
  C        14.0669683447       24.7465618377       16.8058877137
  C        12.9018176737       24.2650428717       15.9453301830
  C        13.1306341206       22.7699715361       15.6893266932
  C        13.2797873604       19.2265240603       18.1351153120
  C        13.5417704147       17.7381357140       17.8044414532
  C        14.0264593494       16.9988048227       19.0583661155
  C        13.0292270924       17.1427993927       20.2040343472
  C        12.5881129693       18.5948147794       20.4525255237
  C        12.1448001237       19.3713279645       19.1793917101
  C        16.4063707589       19.6625639426       16.3235874167
  C        16.4593777627       20.8553584616       15.6013651455
  C        17.3655663846       20.5849113281       14.3840850488
  C        16.5103596453       19.5774138805       13.5511869323
  C        16.4879035625       18.3999927898       14.3035180114
  C        17.3054211488       18.6668886629       15.5830528693
  C        18.4037280441       19.6006757466       14.9767551096
  H        13.9733160312       19.8025268965       11.4863282054
  H        12.7599528517       22.2664976815       12.8326492443
  H        14.4097164875       21.5677112134       12.8583503400
  H        14.1182552226       23.3720259059       11.0592674626
  H        14.6469124452       21.7513737433       10.5153859169
  H        13.0000784144       22.6409084169        8.9400675846
  H        11.7873184257       22.7963917330       10.2240967107
  H        11.4571713942       20.7571151019        8.8934026399
  H        13.1158573726       20.2282064702        9.1763173338
  H        11.6654785268       18.9943147758       10.7812053429
  H        10.9900613820       20.5038718485       11.3777552121
  H        11.6066356402       17.4218051244       12.3917544059
  H        13.5102945277       17.5722296521       10.8053896072
  H        14.6584970636       17.2778125177       12.1272496540
  H        12.5544898678       15.2845975089       11.1293903428
  H        14.3002141710       15.2682432125       10.7851056093
  H        13.8930423034       13.6654329574       12.5918810309
  H        14.7415414254       15.0188468807       13.2843118191
  H        11.6875472060       14.7097804443       13.4088190788
  H        12.8394469070       14.5673059141       14.7725184627
  H        11.7976369659       16.8501346814       14.6924887628
  H        13.5700021323       16.7991950764       14.6467075978
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 Rh         6.0009559043       10.0596999733       14.9998044557
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 Rh        12.6608153794        9.6391172484        4.6994523906
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  C         5.1415691405        9.5145583430        3.7268262769
  C         5.7046787037       10.5096362710        2.8911902498
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  F         0.1959380947        5.0635606977        4.3404891657
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  F        11.2224356889        9.0219802394       20.1869286307
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  C        11.3558269160       11.0537449829       18.2110216300
  C        11.8450708788       12.0278670018       17.3394953854
  C        12.7197794515       11.7018635941       16.2934198783
  C        13.2385257664       10.4111297830       16.1190527554
  C        12.7873721578        9.4559986853       17.0477205514
  B        14.1483465168        9.9818314661       14.8218804317
  C        15.1685008645       11.1699883933       14.3750757569
  C        15.8253429094       11.9777317095       15.3142031712
  C        16.7120016953       12.9735084372       14.8844535682
  C        17.0713144501       13.1031132907       13.5401258389
  C        16.4826076051       12.2572356564       12.5909116961
  C        15.5230009175       11.3297141969       13.0204862312
  C        16.8110030041       12.3879535920       11.1070828812
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  F        15.7373128909       12.8180654621       10.3415870233
  F        17.2215376087       11.1986931494       10.5475311987
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  F        16.2475883053       14.6768513879       16.4850421041
  F        18.1423038045       14.8409404538       15.3882425395
  F        17.8472997926       13.2624030597       16.9332454400
  C        13.0902930990        9.5989276610       13.5845849937
  C        12.4847273146       10.6429530104       12.8436282981
  C        11.4976740687       10.4210838946       11.8646201133
  C        10.9906367327        9.1325603689       11.6620812845
  C        11.6118296460        8.0778321342       12.3390838567
  C        12.6675890122        8.2933052569       13.2334043906
  C        11.0221561141        6.7030672233       12.2116401393
  F        10.4874238822        6.4963453735       10.9804111420
  F        11.9202772497        5.6961829839       12.4533029392
  F        10.0080176678        6.5032127371       13.1229140381
  C        10.9166941074       11.5352011181       11.0238476930
  F         9.7397416756       11.1814566781       10.4123503666
  F        10.6248686687       12.6633930445       11.7333468657
  F        11.7467589995       11.8921750639        9.9865921262
  C        15.1897484282        8.7743887297       15.1147315041
  C        15.8798729945        8.6319440356       16.3275562468
  C        16.7984131279        7.5963017993       16.4833773803
  C        17.0884337561        6.7118102274       15.4474079093
  C        16.4768897359        6.8723487582       14.2140539501
  C        15.5443196628        7.9155377591       14.0583811897
  C        17.4781881265        7.2745704527       17.7674167126
  F        17.6194945212        8.3337916801       18.6169471279
  F        16.8081671841        6.2908641721       18.4546863330
  F        18.7426564752        6.7869285046       17.5201645309
  C        11.3788776302       13.4422289270       17.4378762790
  F        10.7817966981       13.6820238422       18.6296809863
  F        10.4775300972       13.7398338071       16.4271384773
  F        12.4005668991       14.3425914077       17.3003697987
  F        17.6266599004        4.8963577545       13.4740721188
  F        17.3718897626        6.5394383794       12.0124155108
  F        15.6551021760        5.2833650816       12.5999102497
  C        16.7846413977        5.9100554392       13.0827846581
  H        10.6064214397       11.2898233115       18.9682795833
  H        12.9298112949       12.4885063249       15.5700185649
  H        13.1588055731        8.4415781638       16.9894243707
  H        15.6707883858       11.8102853782       16.3827752325
  H        17.7913501054       13.8633150060       13.2603562583
  H        15.0193283184       10.7039122930       12.2852190687
  H        12.7876232997       11.6616118595       13.0894034501
  H        10.0903309721        8.9637695272       11.0734251075
  H        13.1109236828        7.3932660342       13.6693979831
  H        15.7297391775        9.3561209767       17.1239411257
  H        17.7947797749        5.9157978768       15.6449129106
  H        15.0693844788        8.0873100070       13.0934122628
  F         2.7290695118       18.6276260777       20.1403406264
  C         2.6944640053       18.3061908097       18.8017388404
  F         1.3723927193       18.0179454431       18.5033149934
  F         3.3589766040       17.1106304418       18.6457159823
  C         3.2873203153       19.4172054198       17.9596601106
  C         4.1198400053       19.0733591324       16.8794817879
  C         4.6684012280       20.0223866542       15.9824359905
  C         4.2651859270       21.3469632522       16.2030490884
  C         3.4821103191       21.7004621654       17.3037419391
  C         3.0046643029       20.7649704179       18.2153738239
  C         2.9379384992       23.0793231294       17.4404815391
  F         2.3026268754       23.2920071742       18.6352808605
  F         3.9037128017       24.0361439698       17.3160267229
  F         1.9908062504       23.2918534740       16.4502376977
  B         5.6143803152       19.6362547543       14.6797317173
  C         6.7117674293       18.4784350367       14.9795948432
  C         7.3488562958       18.3617239255       16.2266565109
  C         8.2821515641       17.3539101501       16.4719261704
  C         8.6241544459       16.4389567655       15.4838815002
  C         8.0433795139       16.5705574469       14.2207576661
  C         7.1437329206       17.6202976408       13.9535210671
  C         8.4074494918       15.6013652221       13.1335019973
  F         7.3046402490       15.0341915058       12.5450145914
  F         9.2048605237       14.5717899887       13.5667204475
  F         9.1032001156       16.2382160302       12.1416213256
  C         8.8002148403       17.1726416689       17.8597999474
  F         8.9179802362       18.3777936295       18.4920535622
  F        10.0217638471       16.5657508509       17.8929974867
  F         7.9777699291       16.4051606357       18.6651252005
  C         6.6476657883       20.8241655246       14.2849524288
  C         7.2193995375       21.6474279587       15.2653394469
  C         8.1996373528       22.5880362841       14.9346276019
  C         8.6465924775       22.7318346399       13.6133529813
  C         8.0604750271       21.9366046937       12.6243718747
  C         7.1024393490       20.9804532957       12.9719236409
  C         8.3930345748       22.1061302437       11.1671742302
  F         8.8095326429       20.9018599767       10.6322528539
  F         9.3633572879       23.0337644282       10.9309915992
  F         7.3073568205       22.5126907936       10.4152486498
  C         8.6855532469       23.5667893369       15.9648314111
  F         9.5846264723       24.4580787539       15.4430029544
  F         7.6868392429       24.3469606152       16.5048260454
  F         9.2763133421       22.8934948224       17.0144230799
  C         4.5820937565       19.2336042213       13.4609763340
  C         4.0923494300       17.9262160446       13.2699443833
  C         3.1243214972       17.6601779402       12.2902080460
  C         2.6183811247       18.6550797573       11.4619082339
  C         3.0290014641       19.9793359368       11.6761910865
  C         4.0182366580       20.2357518817       12.6397245595
  C         2.3940045253       21.1068383742       10.8855129417
  F         2.3566404499       20.7806282919        9.5452073663
  F         1.0838099170       21.3762333550       11.2462716937
  F         3.0274562853       22.3108934690       11.0131424924
  C         2.5118257524       16.2945483602       12.1866962264
  F         1.9232832550       16.0467483465       10.9807836559
  F         3.4230001246       15.3041429789       12.4051052859
  F         1.5204334257       16.1205752250       13.1380320456
  H         4.3368053067       18.0150943427       16.7631546863
  H         4.5411509866       22.0975189604       15.4666600849
  H         2.3988195375       21.1495768816       19.0318779439
  H         7.1119734023       19.0424585739       17.0403040088
  H         9.3347695088       15.6565059178       15.7266402523
  H         6.7509095774       17.8198670412       12.9494254642
  H         6.8240023489       21.5966158011       16.2785582574
  H         9.3789229606       23.5029095652       13.3930241862
  H         6.6671175666       20.3523408696       12.1995186564
  H         4.4583946533       17.0817069651       13.8584078022
  H         1.9625362255       18.3066390966       10.6654854004
  H         4.3917294298       21.2509912618       12.7357209467
  F        15.6589522178        1.2841134582       -0.3122468599
  C        15.6895218419        1.6434168979        1.0146355402
  F        17.0160951321        1.9072018296        1.2996641836
  F        15.0266081240        2.8326830847        1.1396152203
  C        15.1080461221        0.5827629959        1.9108417486
  C        14.3328701711        0.9489988111        3.0263533284
  C        13.8154765593       -0.0150054542        3.9232876678
  C        14.2398695617       -1.3363361332        3.7177760669
  C        15.0033367859       -1.7087503587        2.5999927940
  C        15.3966625569       -0.7635690499        1.6495983758
  C        15.4761949641       -3.1174776738        2.3896540972
  F        16.0475390664       -3.3147282888        1.1632657368
  F        14.4763866024       -4.0468035801        2.4823065089
  F        16.4113840094       -3.4438480187        3.3496614375
  B        12.8197673654        0.2420922626        5.2193486401
  C        11.7015802448        1.4090527359        4.9548032304
  C        11.1355769224        1.4690166672        3.6642372157
  C        10.1779218622        2.4435352347        3.3185019891
  C         9.7219723652        3.3425519493        4.2947417214
  C        10.2702935113        3.2945228421        5.5820903762
  C        11.2418845759        2.3359945274        5.9027643272
  C         9.9344713178        4.2965733363        6.6571644513
  F        11.0631269410        4.8743595133        7.1959543486
  F         9.1647873442        5.3399990035        6.2245410352
  F         9.2841805463        3.6874248648        7.7001011047
  C         9.6375492655        2.6986143978        1.9132396431
  F         9.4779548671        1.5341524036        1.2302973008
  F         8.3997849845        3.3380710428        1.9077557384
  F        10.4316026748        3.5147821539        1.1191914597
  C        11.8423769091       -1.0472263243        5.5640342526
  C        11.3376418774       -1.9449943023        4.6038620699
  C        10.3185277789       -2.8499530665        4.9121989273
  C         9.8159961683       -3.0053423434        6.2044359868
  C        10.3171579478       -2.1369256054        7.1818089541
  C        11.2832430578       -1.1794643034        6.8497563662
  C         9.9401161135       -2.2081301340        8.6370743395
  F         9.5836752084       -0.9770731228        9.1532363642
  F         8.9016485032       -3.0550270810        8.8705815667
  F        11.0029482263       -2.6081557801        9.4184352174
  C         9.7487348547       -3.7092618421        3.8333805340
  F         8.8021673060       -4.5653715872        4.3080186478
  F        10.7067126918       -4.4538818082        3.2046052670
  F         9.1285881679       -2.9619815284        2.8504021031
  C        13.8730554571        0.5693936058        6.4090863873
  C        14.3669552678        1.8728551036        6.6215961867
  C        15.3121201682        2.1864189193        7.6121658762
  C        15.7896860929        1.1670789774        8.4409731188
  C        15.3875794286       -0.1404883071        8.1569922162
  C        14.4704927846       -0.4569766474        7.1636221887
  C        16.0202200551       -1.2313664809        8.9335900839
  F        16.0426038180       -0.8732445077       10.2618344227
  F        17.3223617542       -1.4843643326        8.5625983404
  F        15.3700534305       -2.4171356162        8.7917974986
  C        15.8856943460        3.5811773057        7.6655101192
  F        16.4737141248        3.8720669392        8.8603607737
  F        14.9339611293        4.5360900200        7.4018801940
  F        16.8377522725        3.7893484327        6.6737303169
  H        14.1073169181        2.0103161509        3.1488328752
  H        13.8519350088       -2.0573962979        4.4382124840
  H        15.9037893476       -1.0967628817        0.7442734360
  H        11.5553965779        0.7455285092        2.9651718148
  H         8.9811722806        4.0619142127        3.9586079590
  H        11.6980502791        2.3720725870        6.8936780446
  H        11.7542206750       -1.9893332837        3.5983351201
  H         9.1480877304       -3.8430426583        6.3886130373
  H        11.6310326951       -0.5551899846        7.6692860125
  H        14.0080636269        2.6652223460        5.9632473993
  H        16.4952322010        1.3519503657        9.2458786690
  H        14.2434994156       -1.5099572504        6.9787972569
  H        10.6825437663       11.8478068032        4.7349623812
  H        11.8934487404       10.4006862325        3.5033392131
     646
 i =       36, E =         0.0318372650
 Rh         3.5972846342        0.2478727178        4.8242904617
  P         5.3521783420        0.6214968413        6.2667810921
  C         5.3179597644       -0.2754906110        7.8875552492
  C         4.7806495219       -1.7039109097        7.6625241370
  C         4.4866061181       -2.3890567995        9.0029809282
  C         5.6723599929       -2.1948587684        9.9642250565
  C         6.1946865800       -0.7642761336       10.1643378027
  C         6.5532963772       -0.1350495948        8.8149395336
  C         5.6435797223        2.3757159940        6.7632970401
  C         4.6777848541        2.7810653051        7.9105369677
  C         4.6027757299        4.2996961525        8.1479366528
  C         4.5252633399        5.0899085396        6.8425782301
  C         5.7549829048        4.7786471322        5.9895316538
  C         5.5773372813        3.3202041863        5.5359416501
  C         6.9613572447        0.0740975570        5.4603781072
  C         6.8976551140        0.2097484892        3.9408972155
  P         5.2815966105       -0.2497350158        3.2404076243
  C         5.4750844261       -2.0368907431        2.7102069896
  C         4.3143591652       -2.4568771501        1.7854388897
  C         4.3915098269       -3.9399678483        1.3968019355
  C         4.2022088361       -4.7749168107        2.6776058449
  C         5.3171270202       -4.4304154307        3.6850830185
  C         5.3895506972       -2.9053152693        3.9841769948
  C         5.2634241639        0.7392555645        1.6846351016
  C         4.9587287213        2.2563568430        1.9184133088
  C         4.4117774051        2.8226327733        0.5919544959
  C         5.4502481613        2.6008596124       -0.5153116647
  C         5.9495313090        1.1608298270       -0.6745306726
  C         6.4435147936        0.5890229582        0.6695555538
  C         1.8980700097        0.2862026079        3.4553562686
  C         1.9042832294       -0.9776698209        4.0516319371
  C         1.0492385723       -0.8746624465        5.3148947013
  C         1.8728640687        0.0812925342        6.2171119164
  C         1.8134321520        1.3509591364        5.6337203380
  C         0.9921259493        1.1777234956        4.3315728915
  C        -0.0402882491        0.1572944856        4.8947962772
  H         4.5222138807        0.2197025530        8.4663902712
  H         5.4701465861       -2.3646259550        7.1180065199
  H         3.8970049104       -1.6147858718        7.0057279084
  H         4.3851500492       -3.4657625927        8.7970532250
  H         3.5473689377       -2.0610511600        9.4748803085
  H         5.4393141819       -2.6218232097       10.9437624472
  H         6.5158672250       -2.7702452308        9.5578109721
  H         7.1075806173       -0.8241121930       10.7800486613
  H         5.5032281387       -0.0940981050       10.7039334590
  H         6.8325623106        0.9185723330        8.9923036208
  H         7.4492747010       -0.6533104559        8.4543757661
  H         6.6730364091        2.3409818518        7.1588046259
  H         5.0063103100        2.2751984950        8.8338530168
  H         3.6623908063        2.4270185686        7.6813871715
  H         5.4894730566        4.6285634006        8.7083322295
  H         3.7196156097        4.5643571702        8.7466616353
  H         4.4407030194        6.1576809359        7.0650477651
  H         3.6062865932        4.8215860734        6.2888251068
  H         6.6560009824        4.9002182598        6.6144401389
  H         5.8674761952        5.4787332532        5.1487960220
  H         6.3040452420        3.0188631912        4.7699796073
  H         4.5846032640        3.2520139060        5.0511556079
  H         7.7971112426        0.6968133315        5.7934133984
  H         7.1376817290       -0.9534551095        5.8054585505
  H         7.6847836417       -0.3205440704        3.3854249385
  H         6.9813122966        1.2782622340        3.6884623303
  H         6.4690827353       -2.1555746166        2.2510988690
  H         4.1634486248       -1.8011042358        0.9181863859
  H         3.4272734776       -2.3567302529        2.4300559638
  H         5.3427746857       -4.1409684958        0.8797726351
  H         3.6200653690       -4.2077960634        0.6615274837
  H         4.1316628204       -5.8399971820        2.4128974158
  H         3.2187981662       -4.5393098090        3.1104876671
  H         5.2254711395       -4.9514269789        4.6506078831
  H         6.2425929316       -4.7783400711        3.2122853278
  H         6.2190541705       -2.6628306404        4.6595844247
  H         4.4872429917       -2.5449648320        4.5139522461
  H         4.3969728382        0.2524128965        1.2161948958
  H         5.8821960367        2.7792768827        2.2257931024
  H         4.2513189498        2.4380108606        2.7440900126
  H         4.2460324094        3.9123887408        0.5959853693
  H         3.4347878071        2.3393319380        0.4244075923
  H         6.2669939148        3.2684349102       -0.1977154857
  H         5.0738480814        2.9558592489       -1.4804615533
  H         6.6973773333        1.0924253440       -1.4850789196
  H         5.1162821923        0.5191889667       -0.9983563909
  H         7.3123683803        1.1633565112        1.0164114141
  H         6.7559521572       -0.4539384245        0.5200345835
  H         2.3037501443        0.5585534423        2.4835132102
  H         2.2121119185       -1.9157552044        3.5986798178
  H         0.7529262624       -1.8230202923        5.7726893933
  H         2.0074687360       -0.0401893227        7.2837365412
  H         1.8436980198        2.2765603623        6.2239553494
  H         0.6293903946        2.0884485327        3.8434061040
  H        -0.4921674275        0.5770931519        5.8064780968
  H        -0.8032225715       -0.1751840291        4.1883526611
 Rh        14.7323768779       19.6603413981       14.9099682164
  P        12.8967419727       19.2075009891       13.4796418694
  C        13.0502099548       20.2142875513       11.9556417358
  C        13.4791678870       21.6632763130       12.2577626359
  C        13.8002248134       22.3267273373       10.9197517414
  C        12.6654487621       22.2177208581        9.8978694455
  C        12.2676507074       20.7600351341        9.6397006098
  C        11.8932816899       20.0549467828       10.9517538108
  C        12.6135254610       17.4797952445       12.8303599261
  C        13.6384528048       17.0518735560       11.7669718419
  C        13.5454216975       15.5372489249       11.5335464048
  C        13.7825842148       14.7398726614       12.8208470423
  C        12.6578302483       15.0550870502       13.8056847718
  C        12.6523011689       16.5675673735       14.0702430204
  C        11.2823259820       19.6756032735       14.3465364478
  C        11.5003073834       19.7501308164       15.8731040764
  P        13.1486174396       20.2085061926       16.5462025493
  C        12.9576904077       21.9949402203       17.0022606325
  C        13.9830679908       22.4806131866       18.0529398555
  C        14.0431467668       24.0261691391       18.1514918612
  C        14.0662402014       24.7505062489       16.8001762744
  C        12.9030613768       24.2640437338       15.9396004353
  C        13.1392165357       22.7694578857       15.6872293211
  C        13.2783015656       19.2286070656       18.1372889749
  C        13.5393640811       17.7402563014       17.8054979562
  C        14.0271662267       17.0007320330       19.0580241330
  C        13.0325226852       17.1439260800       20.2059931194
  C        12.5880147535       18.5950273135       20.4544399135
  C        12.1433064822       19.3725575369       19.1819805779
  C        16.4035706535       19.6635765889       16.3242864961
  C        16.4582968195       20.8557023809       15.6011406589
  C        17.3663760240       20.5837603610       14.3856186764
  C        16.5118906826       19.5753328138       13.5526042804
  C        16.4882899241       18.3988365596       14.3063782729
  C        17.3039188931       18.6671279941       15.5868119366
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 Rh        12.6662089948        9.6335432789        4.7021368419
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  C        11.2676128420        8.6611881914       18.8656253319
  F        11.9414599492        7.4794570918       18.8307913645
  F        11.2226398645        9.0220933875       20.1876383469
  C        11.8412741985        9.7575899357       18.0309694497
  C        11.3542171959       11.0540831201       18.2110912387
  C        11.8436006206       12.0280506099       17.3401608244
  C        12.7182064785       11.7020005142       16.2934771964
  C        13.2380492163       10.4118108830       16.1201463057
  C        12.7886315945        9.4572310034       17.0501653870
  B        14.1479585169        9.9818448240       14.8230611172
  C        15.1682996288       11.1696723305       14.3766006680
  C        15.8270565534       11.9759138070       15.3159540619
  C        16.7124949784       12.9723733563       14.8851864609
  C        17.0706831191       13.1022136841       13.5407486038
  C        16.4811213323       12.2567840818       12.5915452520
  C        15.5212353933       11.3301308122       13.0217748006
  C        16.8091052789       12.3877748908       11.1073949113
  F        17.7954364114       13.2833304989       10.8441909859
  F        15.7361784318       12.8179797321       10.3413355066
  F        17.2210345042       11.1990193234       10.5474363463
  C        17.2447221468       13.9367924993       15.9011639604
  F        16.2476135466       14.6768838703       16.4847515050
  F        18.1421080287       14.8410598351       15.3878193964
  F        17.8475858164       13.2626913176       16.9332504695
  C        13.0908840851        9.5979993878       13.5845530063
  C        12.4845542480       10.6423912103       12.8444837817
  C        11.4971953802       10.4213538220       11.8657206059
  C        10.9886248426        9.1331482000       11.6642782571
  C        11.6118528476        8.0778350118       12.3387377888
  C        12.6696867235        8.2922591034       13.2307429056
  C        11.0220179400        6.7030972762       12.2113055132
  F        10.4871915940        6.4964397168       10.9801499414
  F        11.9202007925        5.6963045174       12.4530305154
  F        10.0079559169        6.5033208443       13.1228448604
  C        10.9164890318       11.5353278245       11.0242312151
  F         9.7396074674       11.1815765430       10.4124139375
  F        10.6246446066       12.6637362020       11.7333364634
  F        11.7464415999       11.8922208703        9.9868104820
  C        15.1902125278        8.7754262655       15.1162488211
  C        15.8810962482        8.6348528882       16.3281646374
  C        16.8005978544        7.5977902504       16.4833173482
  C        17.0880056728        6.7136634452       15.4473623372
  C        16.4775107776        6.8730263581       14.2151503817
  C        15.5441459915        7.9170391580       14.0593037949
  C        17.4810635523        7.2769020038       17.7668447548
  F        17.6200781015        8.3352457245       18.6167839838
  F        16.8100698033        6.2938950919       18.4527973229
  F        18.7479735990        6.7888771368       17.5204290860
  C        11.3784855382       13.4426256602       17.4380210098
  F        10.7816346149       13.6826584507       18.6297694521
  F        10.4774004791       13.7400723871       16.4270388744
  F        12.4004940712       14.3426380826       17.3002802703
  F        17.6266548766        4.8975424651       13.4740311993
  F        17.3717863109        6.5398193899       12.0121861344
  F        15.6550529627        5.2838815562       12.5997786070
  C        16.7844770326        5.9109480837       13.0827509498
  H        10.6032093439       11.2900514011       18.9674237288
  H        12.9263206150       12.4885825613       15.5695630541
  H        13.1620971245        8.4437652611       16.9944509428
  H        15.6751485030       11.8065244986       16.3845918873
  H        17.7908754166       13.8624190177       13.2612952328
  H        15.0156456984       10.7051862541       12.2871414241
  H        12.7876414429       11.6607508669       13.0914961145
  H        10.0857826236        8.9654104526       11.0792205935
  H        13.1153861150        7.3912716888       13.6626293746
  H        15.7333036271        9.3596346076       17.1239874173
  H        17.7949496430        5.9169509637       15.6461553587
  H        15.0692059010        8.0895335768       13.0950140627
  F         2.7292952629       18.6278069298       20.1445167193
  C         2.6950671936       18.3077787933       18.8044462908
  F         1.3735333547       18.0187673152       18.5053434218
  F         3.3593338443       17.1124395847       18.6470078990
  C         3.2885388541       19.4190617620       17.9620738302
  C         4.1199582071       19.0747272497       16.8812109568
  C         4.6685662914       20.0229208876       15.9827827558
  C         4.2649907790       21.3476838135       16.2024038962
  C         3.4837029902       21.7017484253       17.3036419830
  C         3.0074236421       20.7673495948       18.2174604797
  C         2.9383211985       23.0799471110       17.4405747467
  F         2.3026503550       23.2921571680       18.6354626061
  F         3.9037326855       24.0367485506       17.3162113573
  F         1.9907632392       23.2919273046       16.4506435734
  B         5.6148616402       19.6366659445       14.6799732786
  C         6.7140565435       18.4805403314       14.9793886504
  C         7.3516083339       18.3644865330       16.2260797463
  C         8.2843028340       17.3554709505       16.4709163099
  C         8.6245746247       16.4401916383       15.4832453861
  C         8.0449374806       16.5722740042       14.2198145482
  C         7.1463574045       17.6235215408       13.9526900770
  C         8.4076648760       15.6021526689       13.1325121603
  F         7.3044433540       15.0344344717       12.5452549182
  F         9.2046497386       14.5723292932       13.5665420676
  F         9.1022988325       16.2378985689       12.1380205437
  C         8.8013260077       17.1737323893       17.8588771296
  F         8.9183148864       18.3782679833       18.4922041648
  F        10.0223469440       16.5659551937       17.8929044608
  F         7.9781737613       16.4063899285       18.6620955929
  C         6.6480776913       20.8244776264       14.2859033369
  C         7.2197032148       21.6472266889       15.2666181759
  C         8.2012113269       22.5867785979       14.9365508265
  C         8.6498864491       22.7295555485       13.6157337032
  C         8.0630308144       21.9353841473       12.6262282802
  C         7.1038612748       20.9802970232       12.9731469241
  C         8.3935117701       22.1060710057       11.1684157805
  F         8.8091026169       20.9021040396       10.6323084962
  F         9.3632251592       23.0339037432       10.9311165153
  F         7.3069611946       22.5126739932       10.4167286370
  C         8.6856544387       23.5661824026       15.9669833884
  F         9.5859290752       24.4591590485       15.4539721573
  F         7.6861058040       24.3463546242       16.5052113502
  F         9.2762250062       22.8927509865       17.0157039064
  C         4.5836529697       19.2326374875       13.4607092868
  C         4.0942379489       17.9249762202       13.2705382266
  C         3.1260389634       17.6590962338       12.2905525572
  C         2.6209615553       18.6531566931       11.4612405771
  C         3.0305604752       19.9776968099       11.6751655551
  C         4.0200081877       20.2341454213       12.6387737713
  C         2.3943372687       21.1055459019       10.8857251185
  F         2.3561961044       20.7805778188        9.5452940305
  F         1.0838912494       21.3718551833       11.2486843095
  F         3.0267596873       22.3102402544       11.0136682123
  C         2.5122936668       16.2941094968       12.1878561191
  F         1.9231849468       16.0467090515       10.9822413801
  F         3.4229213465       15.3034839427       12.4058645408
  F         1.5203909916       16.1206380604       13.1387737265
  H         4.3361978993       18.0162942411       16.7651757023
  H         4.5394986331       22.0971837820       15.4640496047
  H         2.4038485486       21.1541167200       19.0342881394
  H         7.1163751617       19.0459227008       17.0394167084
  H         9.3342275634       15.6565674360       15.7264130814
  H         6.7549348950       17.8251957791       12.9485552921
  H         6.8226502214       21.5969770083       16.2792860870
  H         9.3833839548       23.4997638780       13.3961997344
  H         6.6680410789       20.3528986002       12.2005816615
  H         4.4603867078       17.0805477713       13.8589940057
  H         1.9669335166       18.3029822946       10.6637162397
  H         4.3943017888       21.2491040299       12.7335019234
  F        15.6569892618        1.2840471994       -0.3127243378
  C        15.6876470254        1.6436742807        1.0139506425
  F        17.0136329877        1.9073796279        1.2999124815
  F        15.0243898055        2.8331282850        1.1360258357
  C        15.1063357262        0.5834197047        1.9110946755
  C        14.3334827640        0.9505071961        3.0280800845
  C        13.8159993472       -0.0130030165        3.9256887392
  C        14.2407715683       -1.3341254781        3.7211229054
  C        15.0014812920       -1.7074398393        2.6020317697
  C        15.3925897675       -0.7633648198        1.6493375247
  C        15.4739144215       -3.1160656221        2.3904747716
  F        16.0456333795       -3.3132167408        1.1636783745
  F        14.4741121493       -4.0461599210        2.4823890514
  F        16.4105413351       -3.4434074147        3.3481622771
  B        12.8194456039        0.2411403709        5.2216842538
  C        11.6997787780        1.4070088374        4.9578972272
  C        11.1344123863        1.4653272555        3.6668527921
  C        10.1772745549        2.4399626227        3.3191227214
  C         9.7202835228        3.3390890868        4.2947050891
  C        10.2675426951        3.2922818104        5.5823755170
  C        11.2397700976        2.3347752593        5.9047137284
  C         9.9317759444        4.2962875496        6.6555257037
  F        11.0617452050        4.8746421186        7.1921689907
  F         9.1588099316        5.3391361421        6.2239722279
  F         9.2834470558        3.6880365454        7.7001515454
  C         9.6372349354        2.6972487914        1.9136607089
  F         9.4769128712        1.5338242792        1.2296382534
  F         8.3995925455        3.3379413044        1.9079637931
  F        10.4311210504        3.5140486354        1.1202971497
  C        11.8434197605       -1.0500516896        5.5650476022
  C        11.3404995965       -1.9487763845        4.6048379132
  C        10.3193859517       -2.8519350921        4.9120085934
  C         9.8148660825       -3.0068533771        6.2034927685
  C        10.3149863396       -2.1381954829        7.1809341760
  C        11.2821428883       -1.1815543890        6.8497732351
  C         9.9379763398       -2.2084531394        8.6356580896
  F         9.5834044254       -0.9770837331        9.1529684740
  F         8.9003375287       -3.0550672696        8.8708639610
  F        11.0027329732       -2.6091098634        9.4111845500
  C         9.7486429611       -3.7099001604        3.8328882410
  F         8.8012247446       -4.5655302497        4.3070310675
  F        10.7060547305       -4.4540804910        3.2031140640
  F         9.1283712321       -2.9617926439        2.8505243953
  C        13.8724229302        0.5682197473        6.4110991123
  C        14.3663524152        1.8717543263        6.6234546411
  C        15.3103923678        2.1860061021        7.6142851592
  C        15.7877557781        1.1672277058        8.4443232116
  C        15.3869384857       -0.1407119935        8.1584428406
  C        14.4710894795       -0.4578378924        7.1650289886
  C        16.0202428570       -1.2313308014        8.9341408530
  F        16.0426483318       -0.8731464635       10.2620682422
  F        17.3223003094       -1.4842481936        8.5625032001
  F        15.3700655023       -2.4171048400        8.7917199134
  C        15.8819559070        3.5811636458        7.6665077735
  F        16.4731947696        3.8728101199        8.8597627614
  F        14.9277489900        4.5342022021        7.4031417071
  F        16.8291007143        3.7897444004        6.6719292246
  H        14.1099269222        2.0123100874        3.1504654327
  H        13.8546560131       -2.0541731881        4.4434769877
  H        15.8955450745       -1.0980038270        0.7421531468
  H        11.5554885364        0.7402361103        2.9701000288
  H         8.9793585946        4.0575305744        3.9574842617
  H        11.6959780753        2.3729269954        6.8956505229
  H        11.7600586014       -1.9959781734        3.6006248857
  H         9.1469242097       -3.8447608275        6.3864326956
  H        11.6288633820       -0.5572321928        7.6697257944
  H        14.0077727398        2.6636030826        5.9641494486
  H        16.4909471321        1.3520221754        9.2509603348
  H        14.2460795727       -1.5113057544        6.9792306808
  H        10.6790894371       11.8519957696        4.7285945370
  H        11.8752302646       10.3854479771        3.5062595861
     646
 i =       37, E =         0.0311072065
 Rh         3.5956756826        0.2474145542        4.8241486554
  P         5.3514055498        0.6204852584        6.2662401847
  C         5.3197313620       -0.2742729929        7.8881782370
  C         4.7794720918       -1.7017739383        7.6648793540
  C         4.4866640636       -2.3862907646        9.0058859013
  C         5.6721602221       -2.1889341046        9.9669652829
  C         6.1959041502       -0.7585727008       10.1654365256
  C         6.5558084623       -0.1324251484        8.8148933885
  C         5.6430097410        2.3744437640        6.7620496147
  C         4.6781309181        2.7790936509        7.9106108794
  C         4.5979804910        4.2978725079        8.1464633824
  C         4.5236477946        5.0873282052        6.8404192348
  C         5.7575929382        4.7771594687        5.9926568405
  C         5.5773860415        3.3199748535        5.5356969567
  C         6.9601362627        0.0725423720        5.4592387737
  C         6.8959655042        0.2086330881        3.9401628044
  P         5.2806986572       -0.2496277504        3.2385793223
  C         5.4727525564       -2.0368054131        2.7078100703
  C         4.3116407179       -2.4569086106        1.7836081709
  C         4.3922629125       -3.9389301016        1.3911793781
  C         4.1993435472       -4.7753250979        2.6706479219
  C         5.3109767630       -4.4308398270        3.6820497712
  C         5.3842767842       -2.9056398940        3.9813221941
  C         5.2682112007        0.7406816407        1.6834690321
  C         4.9643542474        2.2582380469        1.9165261572
  C         4.4133541820        2.8216240143        0.5904831591
  C         5.4495508254        2.5978880842       -0.5186391533
  C         5.9523742129        1.1587419625       -0.6755218709
  C         6.4497151453        0.5911895771        0.6693204262
  C         1.8971844914        0.2870093300        3.4546693442
  C         1.9042406786       -0.9782367284        4.0478067858
  C         1.0487632279       -0.8793745198        5.3107573377
  C         1.8706616123        0.0758586346        6.2155907443
  C         1.8093280500        1.3469929799        5.6354777774
  C         0.9893424808        1.1752972195        4.3321037626
  C        -0.0419818616        0.1528552856        4.8940838665
  H         4.5254688023        0.2220067107        8.4680419719
  H         5.4655076811       -2.3645043398        7.1184212202
  H         3.8945684810       -1.6098100843        7.0100763330
  H         4.3888494978       -3.4634744021        8.8005264060
  H         3.5459974302       -2.0613983669        9.4770734994
  H         5.4399444826       -2.6150196136       10.9470151095
  H         6.5158122084       -2.7639530140        9.5604831091
  H         7.1087840332       -0.8196074196       10.7811310653
  H         5.5061815443       -0.0859045092       10.7042263207
  H         6.8353991444        0.9214775086        8.9903681077
  H         7.4520677741       -0.6516581820        8.4565114647
  H         6.6728331995        2.3384975219        7.1566860137
  H         5.0104826456        2.2755094949        8.8338768722
  H         3.6634712696        2.4208430825        7.6843327953
  H         5.4815748718        4.6296917408        8.7100355213
  H         3.7117826759        4.5607641032        8.7416171176
  H         4.4349346886        6.1549444488        7.0618779669
  H         3.6076590844        4.8159585586        6.2828717447
  H         6.6553774284        4.8942191152        6.6232917626
  H         5.8772997149        5.4797369805        5.1548413810
  H         6.3019478364        3.0176644755        4.7680245373
  H         4.5836052276        3.2549490533        5.0521375670
  H         7.7960098564        0.6955522839        5.7915907146
  H         7.1365911851       -0.9549032365        5.8045712482
  H         7.6829190602       -0.3204025249        3.3831818017
  H         6.9782706196        1.2775048199        3.6885571159
  H         6.4670595500       -2.1562948589        2.2494154470
  H         4.1544140616       -1.7982718253        0.9196927421
  H         3.4266850810       -2.3629358393        2.4322439028
  H         5.3454038732       -4.1377902916        0.8767877528
  H         3.6236663530       -4.2066883879        0.6529637406
  H         4.1295666265       -5.8402807537        2.4054147877
  H         3.2142385179       -4.5400612118        3.0998146050
  H         5.2158415940       -4.9514436690        4.6474329518
  H         6.2376322499       -4.7797251440        3.2125195109
  H         6.2119888127       -2.6639519466        4.6591436556
  H         4.4808285185       -2.5440401545        4.5085822147
  H         4.4028433208        0.2549754431        1.2119735043
  H         5.8890228286        2.7815771697        2.2199146954
  H         4.2599163064        2.4417170547        2.7445773830
  H         4.2477470941        3.9114633036        0.5916935899
  H         3.4358326275        2.3376321165        0.4273334511
  H         6.2653760767        3.2679467907       -0.2040280452
  H         5.0708522284        2.9498985163       -1.4839940732
  H         6.6987385186        1.0911000974       -1.4875224259
  H         5.1205102775        0.5136873227       -0.9961977975
  H         7.3165398198        1.1694526384        1.0145769119
  H         6.7662314138       -0.4508074146        0.5219568250
  H         2.3058009421        0.5627294366        2.4847524183
  H         2.2138347542       -1.9147648324        3.5929871306
  H         0.7537368067       -1.8293627955        5.7659717734
  H         2.0016483727       -0.0467339700        7.2825604781
  H         1.8333792314        2.2705526105        6.2297604921
  H         0.6252981659        2.0861454715        3.8450197716
  H        -0.4914366838        0.5704984079        5.8079984237
  H        -0.8069319574       -0.1775705520        4.1890416550
 Rh        14.7315457666       19.6609179880       14.9090224454
  P        12.8933673541       19.2068758654       13.4800849794
  C        13.0463639713       20.2141265866       11.9567292374
  C        13.4772775041       21.6625706645       12.2587335261
  C        13.7991416219       22.3242293072       10.9200720576
  C        12.6653898884       22.2148244757        9.8970203417
  C        12.2683351075       20.7569412769        9.6389926324
  C        11.8910437283       20.0535266157       10.9510770338
  C        12.6096503235       17.4800747283       12.8281663343
  C        13.6341910493       17.0520236653       11.7643235093
  C        13.5417062018       15.5368595122       11.5336401258
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 Rh        12.6713460271        9.6281479321        4.7044661652
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  F         0.9986404410       11.1614126522        1.3277341422
  F         1.8801938057       13.1603615102        1.1043858340
  F        -0.1716622454       12.9041499331        1.9203893342
  C         6.8339292460        6.4301019792        2.2198824754
  F         7.6049910435        6.2436388584        1.1076286111
  F         7.4858974991        5.8849163481        3.3017123394
  F         5.7036630695        5.6465444822        2.0581394853
  F         0.7114687663       15.0290998952        6.2609820472
  F         0.9277817356       13.3782608025        7.7291541108
  F         2.6865340192       14.5689166448        7.1257141329
  C         1.5291196081       13.9983779624        6.6578896044
  H         7.9984061519        8.7034544868        1.1011483340
  H         5.0187169558        7.3477076022        3.8940749009
  H         5.4187111021       11.5609219876        2.9841146188
  H         2.6514676235        8.0173616533        3.5594837651
  H         0.6410225736        5.9918981338        6.8607768404
  H         3.5396407059        9.1628235619        7.5273222168
  H         5.7849621254        8.1031693940        6.7884162494
  H         8.0436113271       10.9275942818        9.0767000693
  H         5.2897529415       12.3155877110        6.0871026375
  H         2.8200304747       10.5675728057        2.7666638207
  H         0.5892503845       13.9990767347        4.0071556222
  H         3.0692911107       11.8691942399        6.8605752091
  F         9.9790644182        8.3859277730       18.4781161741
  C        11.2675384513        8.6616400190       18.8661685545
  F        11.9415472360        7.4798972608       18.8307917203
  F        11.2228316465        9.0221898837       20.1884139293
  C        11.8411272898        9.7582693108       18.0320096802
  C        11.3521735372       11.0546380265       18.2115862396
  C        11.8424483611       12.0283470247       17.3403801565
  C        12.7164014938       11.7022661228       16.2937858468
  C        13.2376310472       10.4123260549       16.1211988669
  C        12.7895498797        9.4587732664       17.0528815354
  B        14.1475498943        9.9819066085       14.8242083614
  C        15.1681512750       11.1694543283       14.3782517164
  C        15.8286701218       11.9740238766       15.3174961892
  C        16.7129319278       12.9712380909       14.8860799064
  C        17.0700821649       13.1013691259       13.5413010907
  C        16.4797091913       12.2564296795       12.5920875715
  C        15.5193709616       11.3304823958       13.0231012127
  C        16.8074598019       12.3876990316       11.1076713305
  F        17.7936862951       13.2836877216       10.8444960778
  F        15.7351704996       12.8179539553       10.3411276121
  F        17.2204718109       11.1993392179       10.5473442220
  C        17.2448777593       13.9366484187       15.9011883053
  F        16.2476480205       14.6769008712       16.4844576669
  F        18.1419061613       14.8411868374       15.3874082469
  F        17.8478659176       13.2629873482       16.9332550285
  C        13.0913976529        9.5970476453       13.5844915807
  C        12.4844761511       10.6418636250       12.8454701526
  C        11.4965808688       10.4215651656       11.8667331081
  C        10.9866998570        9.1337549821       11.6665535186
  C        11.6117460339        8.0778404311       12.3383250809
  C        12.6718442278        8.2913446941       13.2281897563
  C        11.0218666907        6.7031326377       12.2110161052
  F        10.4869527863        6.4965465239       10.9799075613
  F        11.9201132790        5.6964282073       12.4527627700
  F        10.0078925603        6.5034334795       13.1227808227
  C        10.9162591527       11.5354941193       11.0246352460
  F         9.7394809623       11.1816942620       10.4124942693
  F        10.6244170730       12.6640712936       11.7333174670
  F        11.7461164432       11.8922607439        9.9870422763
  C        15.1904109500        8.7765867216       15.1175168344
  C        15.8833425253        8.6366916613       16.3290190361
  C        16.8020596104        7.6006247248       16.4833016902
  C        17.0888533077        6.7144407459       15.4482631498
  C        16.4769897205        6.8744112599       14.2148771995
  C        15.5445823078        7.9180021019       14.0606759946
  C        17.4843426173        7.2789706771       17.7660346023
  F        17.6208035322        8.3368182856       18.6165025012
  F        16.8121587991        6.2966911170       18.4508054038
  F        18.7528400402        6.7903764924       17.5208053424
  C        11.3780465772       13.4429910601       17.4382321105
  F        10.7814559522       13.6833547448       18.6298513518
  F        10.4772734858       13.7403226552       16.4269391812
  F        12.4004033896       14.3426735416       17.3001869062
  F        17.6266725833        4.8988362090       13.4739681227
  F        17.3716220999        6.5402372494       12.0119967492
  F        15.6550107041        5.2844724347       12.5996837708
  C        16.7844033226        5.9118009153       13.0829445340
  H        10.6001721758       11.2902371904       18.9664085646
  H        12.9228655620       12.4886540713       15.5690932511
  H        13.1654313313        8.4458406898       16.9994692899
  H        15.6794605791       11.8028241092       16.3863946820
  H        17.7903725489       13.8615247175       13.2621964625
  H        15.0119629418       10.7064630396       12.2890328136
  H        12.7876127174       11.6598813506       13.0935560366
  H        10.0812428573        8.9670256100       11.0849802869
  H        13.1197983203        7.3893365932       13.6559135885
  H        15.7367879557        9.3632583152       17.1241450819
  H        17.7947262602        5.9184979736       15.6472398164
  H        15.0689676428        8.0917740188       13.0964224119
  F         2.7295086341       18.6281981930       20.1484872410
  C         2.6957348479       18.3094092527       18.8073463067
  F         1.3747576203       18.0197312455       18.5079642388
  F         3.3597710479       17.1144835445       18.6485428913
  C         3.2896200731       19.4210610605       17.9647887007
  C         4.1202476138       19.0760720974       16.8827431705
  C         4.6686258905       20.0233973107       15.9832611733
  C         4.2649601300       21.3483321025       16.2014577282
  C         3.4849740378       21.7029533902       17.3039168618
  C         3.0103610441       20.7696678706       18.2192731032
  C         2.9387075612       23.0806209342       17.4406277717
  F         2.3026695149       23.2922783419       18.6356281941
  F         3.9037222640       24.0373395891       17.3163999445
  F         1.9906792246       23.2919972105       16.4510264598
  B         5.6153166276       19.6371145611       14.6802407264
  C         6.7162270838       18.4827368341       14.9791947612
  C         7.3546185253       18.3669405447       16.2254668926
  C         8.2861965481       17.3575471118       16.4699914214
  C         8.6253251263       16.4410276868       15.4825414491
  C         8.0463118305       16.5742645828       14.2185628956
  C         7.1492084063       17.6264572896       13.9518655305
  C         8.4079669630       15.6029976212       13.1313630648
  F         7.3042087641       15.0346803924       12.5454961396
  F         9.2044440891       14.5729261208       13.5662928713
  F         9.1011998815       16.2373356074       12.1333476853
  C         8.8025241954       17.1748216476       17.8577897630
  F         8.9186402469       18.3787699590       18.4923406917
  F        10.0229588309       16.5661987093       17.8928354041
  F         7.9784042151       16.4076478520       18.6584143754
  C         6.6485196991       20.8247915268       14.2867275388
  C         7.2199832430       21.6471236555       15.2679694195
  C         8.2029221768       22.5857690990       14.9383037186
  C         8.6531719926       22.7273797128       13.6181389316
  C         8.0654946888       21.9342713811       12.6278944020
  C         7.1052696549       20.9801920341       12.9744537325
  C         8.3939420959       22.1060142315       11.1694980848
  F         8.8087098398       20.9023107879       10.6323512457
  F         9.3630520764       23.0340521681       10.9312070619
  F         7.3066283961       22.5126195471       10.4180194322
  C         8.6857551961       23.5656187678       15.9696251376
  F         9.5878929757       24.4613025920       15.4650983278
  F         7.6850695040       24.3455811044       16.5056886956
  F         9.2759997023       22.8917019226       17.0171501554
  C         4.5852537453       19.2316252046       13.4605235108
  C         4.0959569549       17.9238396561       13.2709717287
  C         3.1279264301       17.6578804858       12.2911909937
  C         2.6233393870       18.6513271807       11.4603303779
  C         3.0323708207       19.9761353692       11.6742538240
  C         4.0216541269       20.2325788010       12.6376808315
  C         2.3946930280       21.1040485455       10.8859817328
  F         2.3557145581       20.7805565168        9.5453692046
  F         1.0839917165       21.3656799818       11.2517889979
  F         3.0259166998       22.3095446375       11.0142388817
  C         2.5127076904       16.2937112859       12.1889141090
  F         1.9231243880       16.0466772249       10.9835392929
  F         3.4228169949       15.3028312110       12.4066509564
  F         1.5203477634       16.1207068339       13.1394879635
  H         4.3355969165       18.0174901524       16.7671902891
  H         4.5378009329       22.0968122128       15.4615337228
  H         2.4087782326       21.1586414980       19.0368248554
  H         7.1207304785       19.0494326077       17.0385684262
  H         9.3335445050       15.6567726690       15.7261410406
  H         6.7589207496       17.8305001901       12.9476355763
  H         6.8213192798       21.5973910632       16.2800016687
  H         9.3878890417       23.4966591065       13.3994028070
  H         6.6689638717       20.3534658792       12.2016144398
  H         4.4623718385       17.0793968158       13.8596049456
  H         1.9713480313       18.2994386464       10.6620416515
  H         4.3968660116       21.2472926158       12.7313110758
  F        15.6544482680        1.2838768880       -0.3132216852
  C        15.6855655196        1.6439302757        1.0131784785
  F        17.0110511104        1.9075135739        1.3002870070
  F        15.0219668784        2.8335681314        1.1304442019
  C        15.1045533561        0.5840650360        1.9113503980
  C        14.3340423745        0.9520757297        3.0298248249
  C        13.8165052547       -0.0110201078        3.9281101094
  C        14.2416989109       -1.3320465639        3.7244246852
  C        14.9996939261       -1.7061812460        2.6038273359
  C        15.3884236768       -0.7631440442        1.6491977020
  C        15.4717998683       -3.1149725012        2.3910550371
  F        16.0442442441       -3.3123258122        1.1641081272
  F        14.4711687344       -4.0453175786        2.4824237290
  F        16.4096091760       -3.4429824607        3.3467733355
  B        12.8190988289        0.2402003130        5.2240649179
  C        11.6979879237        1.4049212991        4.9609492377
  C        11.1332177554        1.4616521742        3.6693975033
  C        10.1765394944        2.4364450868        3.3197599255
  C         9.7186500728        3.3355522095        4.2947475814
  C        10.2647400960        3.2902308357        5.5825833958
  C        11.2375798368        2.3336426882        5.9067491061
  C         9.9288776191        4.2961834684        6.6541417210
  F        11.0596561271        4.8749448202        7.1896119707
  F         9.1508028213        5.3378696721        6.2237548098
  F         9.2825957361        3.6885458858        7.7002385949
  C         9.6368973255        2.6958431924        1.9140913762
  F         9.4757450725        1.5334735087        1.2289205636
  F         8.3993965196        3.3378090830        1.9081776054
  F        10.4306588488        3.5132596206        1.1214977626
  C        11.8445115747       -1.0528459367        5.5660073400
  C        11.3432925527       -1.9526478627        4.6057892303
  C        10.3202744459       -2.8539554129        4.9118467412
  C         9.8137178859       -3.0082941799        6.2024900050
  C        10.3126230748       -2.1392965155        7.1797414023
  C        11.2809854275       -1.1835830687        6.8498323915
  C         9.9358943124       -2.2086741101        8.6338138810
  F         9.5831606775       -0.9771500747        9.1527475791
  F         8.8992867751       -3.0551511153        8.8711215869
  F        11.0034807592       -2.6100791303        9.4029807756
  C         9.7485474160       -3.7105728276        3.8323532395
  F         8.8001936244       -4.5657025243        4.3059036744
  F        10.7052905051       -4.4542828383        3.2013259215
  F         9.1281383379       -2.9615838214        2.8506548716
  C        13.8718619445        0.5670567354        6.4131946245
  C        14.3654879395        1.8705536973        6.6251219922
  C        15.3087557061        2.1853824431        7.6168928551
  C        15.7854886598        1.1672076475        8.4473483044
  C        15.3866467597       -0.1405969335        8.1602310015
  C        14.4714238256       -0.4588767483        7.1661864024
  C        16.0202358222       -1.2313604151        8.9346510239
  F        16.0426761847       -0.8730382242       10.2622847182
  F        17.3221965722       -1.4841218143        8.5624648563
  F        15.3700935329       -2.4170579220        8.7916924107
  C        15.8778761248        3.5810791875        7.6675479559
  F        16.4725542820        3.8736117100        8.8590400104
  F        14.9225815403        4.5324548563        7.4043084076
  F        16.8229505965        3.7898663293        6.6706465500
  H        14.1124865225        2.0143219335        3.1521557388
  H        13.8574104535       -2.0509420148        4.4487457477
  H        15.8872975263       -1.0992053561        0.7401220244
  H        11.5555120103        0.7349794649        2.9749871996
  H         8.9774861557        4.0532164915        3.9563804226
  H        11.6938750244        2.3737579540        6.8975971453
  H        11.7658594173       -2.0025948008        3.6029788257
  H         9.1456993055       -3.8464234989        6.3843032069
  H        11.6266812982       -0.5592670839        7.6701591550
  H        14.0074698555        2.6619858666        5.9651097103
  H        16.4867319285        1.3521436936        9.2561244450
  H        14.2486426166       -1.5125218081        6.9797279928
  H        10.6756686425       11.8560579996        4.7221130220
  H        11.8590877837       10.3707198642        3.5090492517
     646
 i =       38, E =         0.0312305947
 Rh         3.5939494010        0.2469771253        4.8239885019
  P         5.3509247731        0.6194994651        6.2659336427
  C         5.3214796155       -0.2730800156        7.8888534196
  C         4.7782717207       -1.6996418917        7.6672321401
  C         4.4867950983       -2.3834761115        9.0088262538
  C         5.6719947759       -2.1829812930        9.9697368656
  C         6.1971185401       -0.7528420786       10.1664890369
  C         6.5582438878       -0.1298208494        8.8148339268
  C         5.6425056883        2.3732615820        6.7608837738
  C         4.6784329689        2.7771694077        7.9106906362
  C         4.5931248818        4.2960527435        8.1449638571
  C         4.5220060554        5.0847716222        6.8382658080
  C         5.7601764532        4.7756723509        5.9958403601
  C         5.5774593460        3.3197560808        5.5353931499
  C         6.9589591056        0.0709672132        5.4581564349
  C         6.8943505127        0.2075594808        3.9394190103
  P         5.2800248308       -0.2496159987        3.2364434678
  C         5.4704003983       -2.0367337981        2.7053765701
  C         4.3089069838       -2.4568989792        1.7817250171
  C         4.3930358409       -3.9378058199        1.3855437804
  C         4.1965271571       -4.7757053039        2.6636153180
  C         5.3047838819       -4.4312668056        3.6789445432
  C         5.3789526902       -2.9059824364        3.9784895362
  C         5.2730352038        0.7420990035        1.6821871013
  C         4.9700042295        2.2601681166        1.9146446013
  C         4.4150110812        2.8206310354        0.5889426684
  C         5.4489149983        2.5948996772       -0.5220185891
  C         5.9552810346        1.1566501012       -0.6765099561
  C         6.4559120712        0.5933881633        0.6690574368
  C         1.8961791836        0.2878080934        3.4539744373
  C         1.9039839944       -0.9787568620        4.0439492847
  C         1.0483403367       -0.8840096521        5.3065774415
  C         1.8682453283        0.0704122804        6.2140603890
  C         1.8050341108        1.3429336820        5.6373429408
  C         0.9865197835        1.1728581191        4.3326911248
  C        -0.0435959512        0.1483761644        4.8933131149
  H         4.5286092886        0.2243924572        8.4696172316
  H         5.4609242720       -2.3642971316        7.1188241454
  H         3.8920862583       -1.6049020029        7.0144757330
  H         4.3925250491       -3.4611452861        8.8040888865
  H         3.5447198645       -2.0616325915        9.4792956277
  H         5.4405587659       -2.6081468886       10.9503305642
  H         6.5157962986       -2.7577160336        9.5632773658
  H         7.1099681300       -0.8149770071       10.7821995690
  H         5.5090779819       -0.0777200925       10.7044395369
  H         6.8382229968        0.9244017385        8.9883476715
  H         7.4547707374       -0.6500389243        8.4585229275
  H         6.6726912848        2.3360984915        7.1546122707
  H         5.0146411778        2.2758931904        8.8338882013
  H         3.6645878627        2.4146693579        7.6872220486
  H         5.4735333806        4.6308209443        8.7117442313
  H         3.7038968353        4.5570791250        8.7364768141
  H         4.4292361934        6.1522222368        7.0586708105
  H         3.6090631244        4.8104298268        6.2769190373
  H         6.6546735455        4.8881971631        6.6321229558
  H         5.8870853551        5.4806780835        5.1609605366
  H         6.3000399449        3.0165177436        4.7660826520
  H         4.5826517497        3.2578235307        5.0530343904
  H         7.7949549748        0.6942651157        5.7898605135
  H         7.1355073169       -0.9564373838        5.8036711094
  H         7.6811524222       -0.3202787102        3.3810149248
  H         6.9753583919        1.2768689416        3.6886432724
  H         6.4649481124       -2.1569846579        2.2477222147
  H         4.1455073564       -1.7954434983        0.9211507815
  H         3.4260087379       -2.3690415788        2.4341972020
  H         5.3480295603       -4.1345405550        0.8738174218
  H         3.6272887194       -4.2054514840        0.6443598249
  H         4.1275692835       -5.8405318385        2.3978347703
  H         3.2096815332       -4.5408352735        3.0890628742
  H         5.2060638668       -4.9514626077        4.6441559739
  H         6.2326352187       -4.7811025726        3.2127846225
  H         6.2049233662       -2.6651150555        4.6586986187
  H         4.4743491860       -2.5431524066        4.5032740042
  H         4.4086670201        0.2575561942        1.2077220391
  H         5.8959487234        2.7838897619        2.2139878796
  H         4.2685137803        2.4454704091        2.7450449305
  H         4.2495042570        3.9105574750        0.5874585436
  H         3.4369810703        2.3359520867        0.4301762420
  H         6.2638421898        3.2674425831       -0.2105259669
  H         5.0678353938        2.9438390691       -1.4875113758
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 Rh        14.7306404652       19.6614351204       14.9081932067
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 Rh         6.0067341637       10.0612861545       14.9973900523
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 Rh        12.6758683820        9.6233447256        4.7057588243
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  H        11.5032235263        7.1751685756        5.1828718674
  F         8.4919958846       11.6129472495        1.4469903535
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  F         7.3249572632       10.8334911303       -0.2791307519
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  C         6.5264128480        7.8847568851        2.4776797724
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  C         5.1402562698        9.5173926914        3.7236001155
  C         5.7053955022       10.5122537117        2.8888205618
  B         4.2319816546        9.8630410729        5.0608422265
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  C         2.4975605863        7.8742322337        4.6290630007
  C         1.6240487942        6.8726320626        5.0815584020
  C         1.3285004688        6.7399092141        6.4506141692
  C         1.9618446674        7.6277871031        7.3419601900
  C         2.9393534455        8.5254723107        6.8792957452
  C         1.6111411658        7.5479272489        8.8119810910
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  F         2.6889731676        7.1638660791        9.5618838876
  F         1.1727563714        8.7388409583        9.3252575587
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  F         2.1750990074        5.2412795459        3.4534655924
  F         0.1872604310        5.0636528123        4.3395619094
  F         0.6482537845        6.7237041319        2.9406881051
  C         5.3687646375       10.1748650353        6.2218276386
  C         6.0209738379        9.1524644292        6.9287580928
  C         6.9469293839        9.3976513959        7.9428560260
  C         7.3674646517       10.6904451126        8.2578590811
  C         6.8090627786       11.7301811016        7.4963724231
  C         5.7992792389       11.4731570694        6.5504638090
  C         7.3062824661       13.1425857430        7.6972630956
  F         7.8240561992       13.3483389084        8.9460758002
  F         6.3244697530       14.0801498636        7.4895717823
  F         8.3117089133       13.4835206856        6.8171363781
  C         7.2959524646        8.1393925249        8.6718549105
  F         8.4402223301        8.2279301767        9.3934616672
  F         7.4205933714        7.0983365302        7.7866941732
  F         6.2847741395        7.7431487302        9.5349159107
  C         3.1612366966       11.0871726471        4.8361146036
  C         2.5764113688       11.2587052051        3.5695712604
  C         1.6721963924       12.2904617076        3.2997159769
  C         1.3013014417       13.2169546107        4.2663055779
  C         1.8158619372       13.0286873805        5.5510291754
  C         2.6985678940       11.9627752553        5.8362359402
  C         1.1035857624       12.3884630871        1.9267000700
  F         0.9989679676       11.1614049162        1.3279125200
  F         1.8811358574       13.1600234898        1.1045357031
  F        -0.1713579083       12.9041174769        1.9202300376
  C         6.8342995953        6.4308727843        2.2200520429
  F         7.6048891275        6.2437239433        1.1076570370
  F         7.4856502230        5.8849299940        3.3018322846
  F         5.7031548927        5.6482453560        2.0584365040
  F         0.7097438926       15.0290900064        6.2608333685
  F         0.9196631452       13.3794040531        7.7311150663
  F         2.6846210543       14.5684318890        7.1256178668
  C         1.5258686032       13.9980745281        6.6590170060
  H         8.0080982415        8.7066721787        1.1106060769
  H         5.0150493056        7.3482525312        3.8887554721
  H         5.4172389458       11.5614030221        2.9815494462
  H         2.6454811102        8.0195628777        3.5585292090
  H         0.6411731594        5.9922682942        6.8628225090
  H         3.5455811608        9.1589489267        7.5256689132
  H         5.7893778590        8.1020042655        6.7869827489
  H         8.0441543109       10.9285907739        9.0761095363
  H         5.2844633929       12.3144682477        6.0915772654
  H         2.8184935201       10.5661695054        2.7677012590
  H         0.5910295683       14.0003929578        4.0060485781
  H         3.0636491649       11.8663046700        6.8629068200
  F         9.9792224392        8.3861024175       18.4782068942
  C        11.2674495201        8.6621138162       18.8668391041
  F        11.9415947168        7.4803493173       18.8308182197
  F        11.2229930121        9.0222670758       20.1892712446
  C        11.8409193474        9.7589803906       18.0331091456
  C        11.3501242392       11.0552001903       18.2120813400
  C        11.8412751742       12.0286100119       17.3406218266
  C        12.7145517842       11.7025322917       16.2941548742
  C        13.2372035471       10.4128503096       16.1222453228
  C        12.7904233058        9.4603014570       17.0556452424
  B        14.1471926071        9.9818388919       14.8254546437
  C        15.1679837519       11.1692303437       14.3797894602
  C        15.8302878404       11.9722285090       15.3190464780
  C        16.7133682419       12.9701457881       14.8869227971
  C        17.0694454041       13.1005239720       13.5418551941
  C        16.4783636536       12.2561545002       12.5926751270
  C        15.5175957886       11.3309280399       13.0242768061
  C        16.8062014070       12.3876825618       11.1080315235
  F        17.7925847647       13.2837523049       10.8447239647
  F        15.7344206566       12.8180313127       10.3409874182
  F        17.2198323919       11.1996426039       10.5472548461
  C        17.2450112577       13.9364458901       15.9012305917
  F        16.2476584546       14.6769141366       16.4842298286
  F        18.1416933834       14.8413097921       15.3870556608
  F        17.8481444252       13.2632819247       16.9333073411
  C        13.0918606095        9.5961328556       13.5844377836
  C        12.4842834768       10.6413905150       12.8464100593
  C        11.4959295803       10.4217569659       11.8677858550
  C        10.9847960182        9.1343808824       11.6688765670
  C        11.6115872483        8.0778756029       12.3379577123
  C        12.6738971281        8.2904360897       13.2256650704
  C        11.0216823229        6.7031849367       12.2107720177
  F        10.4867102994        6.4966585173       10.9797095179
  F        11.9200127651        5.6965585281       12.4525177286
  F        10.0078408041        6.5035630252       13.1227138697
  C        10.9160527368       11.5356127755       11.0250915922
  F         9.7393541951       11.1818181716       10.4125945988
  F        10.6241880821       12.6644090123       11.7333199661
  F        11.7457818403       11.8922984943        9.9873276731
  C        15.1906192383        8.7776707984       15.1188377114
  C        15.8857681906        8.6383987451       16.3298572653
  C        16.8038598593        7.6035545957       16.4831432635
  C        17.0898964484        6.7150821008       15.4490600251
  C        16.4764304611        6.8758217839       14.2147066366
  C        15.5450797481        7.9189107413       14.0621654011
  C        17.4876196926        7.2809843844       17.7651986764
  F        17.6217062622        8.3385391406       18.6160387925
  F        16.8147665674        6.2988558194       18.4482795235
  F        18.7561395408        6.7911925290       17.5210121723
  C        11.3776149046       13.4433475632       17.4384624494
  F        10.7812410510       13.6841171944       18.6299491142
  F        10.4771334540       13.7405709533       16.4268696921
  F        12.4002908775       14.3426971973       17.3001258923
  F        17.6267783301        4.9004554721       13.4739871533
  F        17.3714363126        6.5406997300       12.0118100417
  F        15.6549214894        5.2850724847       12.5996111600
  C        16.7842696300        5.9127534620       13.0831422803
  H        10.5972624724       11.2903847251       18.9653266727
  H        12.9194837962       12.4886988596       15.5686317827
  H        13.1687746714        8.4478407388       17.0044896756
  H        15.6836591918       11.7992077206       16.3881884860
  H        17.7898056981       13.8605934731       13.2630772769
  H        15.0083297648       10.7077603623       12.2909309464
  H        12.7875236558       11.6590238550       13.0955815218
  H        10.0768582137        8.9686010119       11.0907272916
  H        13.1241200735        7.3875086123       13.6493369830
  H        15.7402380589        9.3668039776       17.1243757091
  H        17.7944271858        5.9200257724       15.6482632812
  H        15.0687574899        8.0939908761       13.0977704138
  F         2.7297713408       18.6289644955       20.1519855442
  C         2.6965445330       18.3113313594       18.8104415376
  F         1.3759761149       18.0209347403       18.5127664265
  F         3.3604783425       17.1169456851       18.6506319437
  C         3.2907344717       19.4230755735       17.9675785512
  C         4.1205190795       19.0773232626       16.8843970721
  C         4.6686758747       20.0238672824       15.9837768671
  C         4.2648187465       21.3490011356       16.2005737792
  C         3.4861282604       21.7040940126       17.3041921723
  C         3.0132783308       20.7719608959       18.2211085345
  C         2.9390602659       23.0811782402       17.4406757488
  F         2.3026668566       23.2924103542       18.6357952976
  F         3.9036852946       24.0379371928       17.3166016309
  F         1.9905875121       23.2920909369       16.4514174910
  B         5.6158253105       19.6375350908       14.6804749210
  C         6.7183363024       18.4848782848       14.9790041459
  C         7.3576481746       18.3693735102       16.2247636165
  C         8.2882591066       17.3597218414       16.4688420233
  C         8.6261779058       16.4418528550       15.4817053902
  C         8.0479710977       16.5763386459       14.2169817690
  C         7.1520673343       17.6293786604       13.9510015095
  C         8.4084979050       15.6039549072       13.1294675064
  F         7.3039020991       15.0349145733       12.5457834053
  F         9.2042680426       14.5736970265       13.5659289263
  F         9.0997584966       16.2360088872       12.1261093801
  C         8.8038409323       17.1760529309       17.8563963884
  F         8.9189598789       18.3792533876       18.4924993561
  F        10.0236222332       16.5664671903       17.8927980806
  F         7.9780697065       16.4088745750       18.6535061638
  C         6.6490778883       20.8252244504       14.2875470254
  C         7.2203907405       21.6472865228       15.2692801665
  C         8.2046959661       22.5850325779       14.9401786300
  C         8.6564220924       22.7253629524       13.6203767216
  C         8.0678247369       21.9333779772       12.6294472388
  C         7.1067079558       20.9802091320       12.9757134878
  C         8.3943496775       22.1059581716       11.1704918575
  F         8.8084038555       20.9024610001       10.6323952270
  F         9.3628725615       23.0342086536       10.9312758598
  F         7.3064312832       22.5125453550       10.4190975702
  C         8.6862772029       23.5655598953       15.9718592991
  F         9.5884416068       24.4627356748       15.4688636226
  F         7.6841241634       24.3444470673       16.5063266523
  F         9.2758908901       22.8908911914       17.0185071075
  C         4.5868551798       19.2306949916       13.4604013105
  C         4.0976378658       17.9227908169       13.2714302728
  C         3.1297274836       17.6567011931       12.2918293950
  C         2.6257431256       18.6495247969       11.4594476108
  C         3.0345974156       19.9744530685       11.6732751237
  C         4.0234232015       20.2310703120       12.6366544235
  C         2.3952393092       21.1019967223       10.8864238090
  F         2.3551182876       20.7806072848        9.5455074408
  F         1.0843597091       21.3556649409       11.2578296537
  F         3.0245664771       22.3086729156       11.0149868286
  C         2.5130873590       16.2933010594       12.1898512621
  F         1.9231281737       16.0466716256       10.9845766132
  F         3.4226751618       15.3021615379       12.4074779547
  F         1.5202857799       16.1207866270       13.1401376819
  H         4.3350501013       18.0185757740       16.7691953268
  H         4.5360738226       22.0964140455       15.4591518284
  H         2.4136448271       21.1630350637       19.0394456051
  H         7.1250463914       19.0529097515       17.0377265754
  H         9.3328324432       15.6569977496       15.7258623161
  H         6.7628584782       17.8357228863       12.9466566710
  H         6.8200556495       21.5979078297       16.2807256061
  H         9.3924778289       23.4936263001       13.4026406409
  H         6.6699371731       20.3540980406       12.2026844367
  H         4.4643373905       17.0782876851       13.8602541377
  H         1.9756909199       18.2960786885       10.6604090469
  H         4.3994095408       21.2455865097       12.7291920339
  F        15.6496950622        1.2832436050       -0.3138723428
  C        15.6830889786        1.6441708828        1.0119703043
  F        17.0081311654        1.9075315748        1.3008065006
  F        15.0188869824        2.8337663404        1.1221758532
  C        15.1025567010        0.5848931323        1.9117060907
  C        14.3344446015        0.9536554931        3.0317129519
  C        13.8170606394       -0.0091905828        3.9304916470
  C        14.2426508038       -1.3300372186        3.7275864702
  C        14.9979496236       -1.7051730075        2.6054555819
  C        15.3841992426       -0.7628630708        1.6490880271
  C        15.4696746566       -3.1142538295        2.3914201024
  F        16.0431313638       -3.3118429832        1.1644987366
  F        14.4666053525       -4.0440108670        2.4823113538
  F        16.4084069556       -3.4427049214        3.3454223319
  B        12.8186853824        0.2392222567        5.2263635573
  C        11.6961129893        1.4029269338        4.9639728722
  C        11.1320666143        1.4580052447        3.6719874390
  C        10.1757685951        2.4328640049        3.3204062704
  C         9.7169708159        3.3321165755        4.2948609148
  C        10.2620297583        3.2886221785        5.5829441894
  C        11.2353553680        2.3326095935        5.9087341724
  C         9.9249814836        4.2963199769        6.6532439034
  F        11.0550387367        4.8756709280        7.1881836605
  F         9.1392440666        5.3360715481        6.2247766174
  F         9.2812497156        3.6886821097        7.7004938797
  C         9.6365141369        2.6943776979        1.9144837830
  F         9.4742278265        1.5331166114        1.2280618607
  F         8.3991896291        3.3377170813        1.9084053740
  F        10.4302601636        3.5123543665        1.1229166434
  C        11.8455929748       -1.0555994619        5.5668794947
  C        11.3461266277       -1.9564780140        4.6068016032
  C        10.3212552793       -2.8561040968        4.9114913786
  C         9.8124106599       -3.0096871329        6.2012522041
  C        10.3100536729       -2.1399680221        7.1781669361
  C        11.2798594816       -1.1853772061        6.8496232272
  C         9.9343195693       -2.2088282450        8.6319234747
  F         9.5830229662       -0.9773818463        9.1525070662
  F         8.8986689074       -3.0552184179        8.8713059757
  F        11.0051440006       -2.6103735467        9.3964885869
  C         9.7484794483       -3.7113748766        3.8315452822
  F         8.7989656489       -4.5659024419        4.3043783256
  F        10.7041941026       -4.4544503376        3.1984300086
  F         9.1278630487       -2.9612766266        2.8507812007
  C        13.8712569048        0.5658462208        6.4152790472
  C        14.3644828128        1.8693309963        6.6268208342
  C        15.3069156209        2.1848178807        7.6194792117
  C        15.7831321812        1.1671313247        8.4503699392
  C        15.3863851857       -0.1405157055        8.1620210144
  C        14.4717412047       -0.4598956688        7.1673473021
  C        16.0202399112       -1.2313807124        8.9351801970
  F        16.0426851970       -0.8729337175       10.2625179146
  F        17.3220895400       -1.4840178263        8.5624986575
  F        15.3701088097       -2.4170154771        8.7917001712
  C        15.8750613023        3.5808638811        7.6683573873
  F        16.4716709073        3.8744505627        8.8584322397
  F        14.9201690448        4.5317607549        7.4046057273
  F        16.8207236789        3.7897557192        6.6706830956
  H        14.1149611615        2.0163531088        3.1539441546
  H        13.8602777101       -2.0476676268        4.4539132035
  H        15.8791480734       -1.1003302321        0.7381312195
  H        11.5554069562        0.7298523817        2.9797883170
  H         8.9755293588        4.0490493461        3.9552964413
  H        11.6916869796        2.3745527673        6.8994298397
  H        11.7715781840       -2.0091411750        3.6054460448
  H         9.1443270663       -3.8480231745        6.3822443903
  H        11.6244664941       -0.5613166310        7.6705289618
  H        14.0071561021        2.6603291015        5.9661926687
  H        16.4825166014        1.3523048579        9.2612515439
  H        14.2511364117       -1.5136262368        6.9803049100
  H        10.6723060015       11.8596767251        4.7153635073
  H        11.8466632834       10.3569951042        3.5116666702
     646
 i =       39, E =         0.1034723887
 Rh         3.5956472313        0.2428892233        4.8243030104
  P         5.3562495090        0.6209721725        6.2675662941
  C         5.3196647126       -0.2712115030        7.8888303738
  C         4.7787759863       -1.7000972117        7.6690043432
  C         4.4891251416       -2.3848894060        9.0105584715
  C         5.6736701954       -2.1852966006        9.9729011539
  C         6.1979956952       -0.7535093989       10.1665892678
  C         6.5572384177       -0.1310916629        8.8137040725
  C         5.6436114406        2.3741442865        6.7604820276
  C         4.6777794617        2.7784369338        7.9092484730
  C         4.5921907688        4.2986777313        8.1450486913
  C         4.5219279639        5.0883649040        6.8382995677
  C         5.7576590531        4.7754444977        5.9964810754
  C         5.5794711922        3.3210561528        5.5360103980
  C         6.9595415130        0.0736370354        5.4590144991
  C         6.8954982886        0.2103435011        3.9410055266
  P         5.2823460553       -0.2497730698        3.2364750774
  C         5.4663088218       -2.0352256499        2.7074100128
  C         4.3072693893       -2.4564095780        1.7836902617
  C         4.3907465544       -3.9356626625        1.3877213201
  C         4.1960181470       -4.7727906540        2.6625899378
  C         5.3035323634       -4.4285826153        3.6773967806
  C         5.3772660941       -2.9062076929        3.9766326736
  C         5.2705174273        0.7427853667        1.6821407481
  C         4.9683408028        2.2585046423        1.9140265077
  C         4.4148495388        2.8199606534        0.5901647141
  C         5.4479868237        2.5957626873       -0.5225211860
  C         5.9514685823        1.1558936087       -0.6742701467
  C         6.4510887555        0.5947562198        0.6708862291
  C         1.8930975715        0.2902590441        3.4536550465
  C         1.9033922480       -0.9749973674        4.0434030836
  C         1.0477891362       -0.8814165340        5.3095860048
  C         1.8697508789        0.0729385993        6.2139284565
  C         1.8056685924        1.3435963487        5.6370916794
  C         0.9877334023        1.1751238460        4.3342803047
  C        -0.0432765805        0.1503907733        4.8942187123
  H         4.5249769185        0.2271738380        8.4649940834
  H         5.4658257261       -2.3594226013        7.1174483453
  H         3.8916147593       -1.6080655188        7.0181737911
  H         4.3893487380       -3.4611194272        8.8078120384
  H         3.5469844540       -2.0590657661        9.4750817077
  H         5.4398110029       -2.6119370611       10.9523446856
  H         6.5164839241       -2.7597464750        9.5653487161
  H         7.1093015121       -0.8136053230       10.7819452910
  H         5.5061004957       -0.0835507171       10.7028379383
  H         6.8366961848        0.9212256885        8.9823986501
  H         7.4516620512       -0.6479554917        8.4514408739
  H         6.6724066366        2.3427209095        7.1538010416
  H         5.0108993681        2.2778961284        8.8322425814
  H         3.6654595702        2.4130411705        7.6871135346
  H         5.4726237480        4.6317673511        8.7122333839
  H         3.7049602625        4.5527225658        8.7407771109
  H         4.4294316012        6.1551770877        7.0598801223
  H         3.6117640267        4.8123235166        6.2784437089
  H         6.6532557211        4.8871457221        6.6287371964
  H         5.8848570545        5.4772386791        5.1602963112
  H         6.3023343826        3.0172602923        4.7675042393
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  H        11.5038809031        7.1799124447        5.1872120300
  F         8.4972661501       11.6103412478        1.4488901745
  C         7.2291386184       11.2527624104        1.0438960457
  F         6.4786394846       12.3800343843        1.0274006048
  F         7.3333084270       10.8324116919       -0.2762552923
  C         6.6678587359       10.1930495574        1.9291172408
  C         7.1675031223        8.8967602910        1.7738928151
  C         6.5191696960        7.8820302887        2.4771291479
  C         5.5232626954        8.1916458945        3.4164565300
  C         5.1400553682        9.5142641959        3.7229109248
  C         5.7031272419       10.5101509664        2.8927551570
  B         4.2323944705        9.8652049028        5.0605602209
  C         3.2269868347        8.6706189211        5.5185480401
  C         2.5000269817        7.8734968903        4.6296120805
  C         1.6244523111        6.8739381371        5.0833843812
  C         1.3279814043        6.7418773430        6.4503004500
  C         1.9593372796        7.6255033946        7.3417769612
  C         2.9364604396        8.5239101671        6.8828966797
  C         1.6097159101        7.5453463782        8.8106234979
  F         0.6280243372        6.6440515796        9.0917725221
  F         2.6916964597        7.1641967664        9.5607118139
  F         1.1780333091        8.7383268977        9.3190507077
  C         1.1403451722        5.9683856258        3.9876113590
  F         2.1757945209        5.2412423274        3.4481348767
  F         0.1872733897        5.0657564184        4.3346527398
  F         0.6482739426        6.7228868498        2.9363625505
  C         5.3679970113       10.1762996444        6.2216986003
  C         6.0154899597        9.1556604579        6.9266330248
  C         6.9408156948        9.3944848361        7.9430838102
  C         7.3637439494       10.6931711584        8.2578494829
  C         6.8071657984       11.7311991031        7.4972351951
  C         5.7991160327       11.4766764110        6.5499280999
  C         7.3035041636       13.1434528352        7.6985907277
  F         7.8263305195       13.3469700888        8.9459299962
  F         6.3232653094       14.0791783366        7.4887480514
  F         8.3165484605       13.4806832225        6.8166277075
  C         7.2940204699        8.1391711581        8.6718684144
  F         8.4448502585        8.2258986640        9.3939225584
  F         7.4270824828        7.0975428016        7.7855238293
  F         6.2879569643        7.7409483152        9.5342728671
  C         3.1637843580       11.0895245369        4.8336626337
  C         2.5749754560       11.2610162054        3.5693193029
  C         1.6718045527       12.2823736148        3.2987176395
  C         1.2973644567       13.2166924392        4.2703374782
  C         1.8197837202       13.0258193322        5.5527367343
  C         2.6994338927       11.9681149791        5.8365665927
  C         1.1005176193       12.3876579029        1.9281563755
  F         1.0087842064       11.1599782956        1.3209803481
  F         1.8831681138       13.1594110098        1.1000820302
  F        -0.1642548318       12.9062217696        1.9131895414
  C         6.8310957105        6.4311012956        2.2208822856
  F         7.6098961399        6.2409688108        1.1100175496
  F         7.4961585314        5.8826857476        3.2997857012
  F         5.7102140276        5.6498179852        2.0565028601
  F         0.7106761200       15.0288252499        6.2580900636
  F         0.9173962728       13.3822888596        7.7288391870
  F         2.6817132573       14.5684302758        7.1219274307
  C         1.5230687661       13.9966854941        6.6587718135
  H         8.0050464169        8.7047795925        1.1080403718
  H         5.0161701945        7.3508777817        3.8918035185
  H         5.4151576023       11.5589911016        2.9838990989
  H         2.6446776500        8.0168490280        3.5589773924
  H         0.6435660498        5.9946207806        6.8559934509
  H         3.5380336153        9.1559911118        7.5345362621
  H         5.7833631767        8.1028850437        6.7799778422
  H         8.0445925268       10.9249480326        9.0733938754
  H         5.2876991400       12.3166676891        6.0895997478
  H         2.8196589401       10.5661165612        2.7672067984
  H         0.5932155308       14.0010173451        4.0109617513
  H         3.0627601050       11.8659876182        6.8611450101
  F         9.9782529401        8.3856358092       18.4820023652
  C        11.2674858713        8.6614832002       18.8669895407
  F        11.9404442366        7.4783691638       18.8327495462
  F        11.2165518623        9.0209377401       20.1927428438
  C        11.8446072469        9.7554583150       18.0332833226
  C        11.3519485838       11.0568480952       18.2099346005
  C        11.8424337251       12.0261645179       17.3377689787
  C        12.7128849658       11.7040854956       16.2913671742
  C        13.2355931149       10.4102517561       16.1187139924
  C        12.7908182007        9.4614186182       17.0541859669
  B        14.1453274428        9.9818572219       14.8209892243
  C        15.1671062430       11.1682864250       14.3744978780
  C        15.8311125804       11.9733852954       15.3154587857
  C        16.7149374567       12.9711339173       14.8850097659
  C        17.0700904617       13.1033446055       13.5388074470
  C        16.4773797546       12.2575430656       12.5897128248
  C        15.5185585717       11.3323595957       13.0207190257
  C        16.8060098292       12.3894687402       11.1061751634
  F        17.7951803482       13.2822362863       10.8534652534
  F        15.7362396140       12.8146755903       10.3463729042
  F        17.2220112453       11.1972086761       10.5559364923
  C        17.2448228236       13.9371854537       15.8992192998
  F        16.2470383105       14.6755404631       16.4891241216
  F        18.1430522589       14.8369859840       15.3978883013
  F        17.8488700835       13.2606910596       16.9388753626
  C        13.0892945317        9.5970767605       13.5825552199
  C        12.4836835728       10.6425809163       12.8478107197
  C        11.4921360154       10.4213716739       11.8685420643
  C        10.9867758433        9.1332984828       11.6716013958
  C        11.6107491708        8.0782013574       12.3394241083
  C        12.6717725376        8.2916966837       13.2287792845
  C        11.0225396378        6.7035514193       12.2114905503
  F        10.4888988301        6.4936382404       10.9801044834
  F        11.9208767166        5.6950959851       12.4565737565
  F        10.0083395985        6.5011638846       13.1250138087
  C        10.9139124516       11.5363870022       11.0265732636
  F         9.7407229172       11.1782327926       10.4137963616
  F        10.6277936169       12.6623476492       11.7357556221
  F        11.7505228430       11.8896262000        9.9905704693
  C        15.1899158431        8.7770045353       15.1130120842
  C        15.8868070258        8.6381514539       16.3291622448
  C        16.8064149597        7.6035564756       16.4824521787
  C        17.0915270162        6.7114772825       15.4475106617
  C        16.4730187066        6.8768273360       14.2105583222
  C        15.5477278220        7.9152404725       14.0596094781
  C        17.4903348211        7.2791734586       17.7640995087
  F        17.6189405265        8.3363080301       18.6211453730
  F        16.8142668472        6.3003898549       18.4522051101
  F        18.7604643598        6.7925268802       17.5307333528
  C        11.3776575846       13.4409481935       17.4364151739
  F        10.7791112953       13.6834515165       18.6321014242
  F        10.4774675173       13.7387852382       16.4296858115
  F        12.4004497294       14.3417129268       17.3045453064
  F        17.6269601777        4.9014915251       13.4783046762
  F        17.3735418816        6.5366756326       12.0184985805
  F        15.6568980624        5.2841451398       12.6068533133
  C        16.7822652910        5.9132765891       13.0835584029
  H        10.6008022934       11.2901586799       18.9640965508
  H        12.9247142358       12.4886266626       15.5688518668
  H        13.1691334106        8.4443907973       17.0026161549
  H        15.6804808729       11.8039524685       16.3843697274
  H        17.7897134056       13.8623032653       13.2596731232
  H        15.0101460427       10.7084036779       12.2887943039
  H        12.7857784295       11.6603787948       13.0914127578
  H        10.0815934214        8.9683889736       11.0872761774
  H        13.1232222680        7.3934890010       13.6525987289
  H        15.7384005572        9.3642057992       17.1264129057
  H        17.7954835917        5.9167432486       15.6439194293
  H        15.0722804143        8.0909858923       13.0968454793
  F         2.7278800506       18.6312551008       20.1533241223
  C         2.6983964932       18.3109618275       18.8125159607
  F         1.3777582474       18.0248519331       18.5141621187
  F         3.3595175779       17.1196146979       18.6486083158
  C         3.2936453477       19.4181115470       17.9663854440
  C         4.1226945147       19.0761221787       16.8854562354
  C         4.6682982415       20.0183393170       15.9855566526
  C         4.2639196114       21.3480862496       16.1989167547
  C         3.4811890517       21.7024277253       17.3061710717
  C         3.0114633913       20.7666582910       18.2207142552
  C         2.9366661622       23.0824843306       17.4424663224
  F         2.3029726443       23.2949350500       18.6295443896
  F         3.9051468208       24.0393629554       17.3100036923
  F         1.9930035482       23.2948196332       16.4486884832
  B         5.6141672489       19.6366605071       14.6814361307
  C         6.7164761502       18.4825077845       14.9814927928
  C         7.3542658670       18.3664830244       16.2258763977
  C         8.2837740434       17.3598924299       16.4705945704
  C         8.6269124538       16.4388056045       15.4812913631
  C         8.0491212166       16.5781477118       14.2156794977
  C         7.1518755224       17.6271981412       13.9534196257
  C         8.4095823563       15.6058514631       13.1284386221
  F         7.3077272539       15.0335844845       12.5432218442
  F         9.2067886728       14.5730003595       13.5658886791
  F         9.1036521069       16.2334829283       12.1186023270
  C         8.8036806013       17.1750542868       17.8571094096
  F         8.9183483731       18.3792562767       18.4919816202
  F        10.0233917365       16.5654622424       17.8939892697
  F         7.9761473800       16.4091546265       18.6497683150
  C         6.6446452902       20.8265947918       14.2893769395
  C         7.2192988126       21.6530368962       15.2688413299
  C         8.2016086006       22.5903359677       14.9363749369
  C         8.6535691100       22.7288435944       13.6208784392
  C         8.0687742497       21.9350301807       12.6294567360
  C         7.1057719730       20.9815844294       12.9734382983
  C         8.3944667615       22.1065211390       11.1703242927
  F         8.8132738240       20.9039484997       10.6310148466
  F         9.3690856467       23.0311753764       10.9308300578
  F         7.3103520562       22.5110274153       10.4209142043
  C         8.6856556294       23.5648418016       15.9708090857
  F         9.5930872464       24.4630165970       15.4759317604
  F         7.6853875501       24.3445977883       16.5044893896
  F         9.2772477425       22.8905221514       17.0193572044
  C         4.5854536578       19.2311255775       13.4628342850
  C         4.0948464135       17.9234479183       13.2711698361
  C         3.1299585017       17.6561475492       12.2942512637
  C         2.6228862628       18.6494651267       11.4584350022
  C         3.0359290681       19.9757131018       11.6742743418
  C         4.0208090888       20.2315765958       12.6370607779
  C         2.3941775074       21.1007750255       10.8883985540
  F         2.3591932321       20.7825994674        9.5438776408
  F         1.0882653533       21.3454971993       11.2641582981
  F         3.0311459863       22.3063226963       11.0082833856
  C         2.5122737409       16.2931494108       12.1912452905
  F         1.9279921595       16.0475689330       10.9877957448
  F         3.4257427401       15.3008332333       12.4031747587
  F         1.5235362950       16.1221031174       13.1340589548
  H         4.3369278973       18.0175946911       16.7659401678
  H         4.5370807790       22.0996678017       15.4615285630
  H         2.4124920533       21.1538359586       19.0419354884
  H         7.1220412095       19.0535795352       17.0374196122
  H         9.3325318473       15.6541127666       15.7225249478
  H         6.7647474140       17.8273059482       12.9497467460
  H         6.8236718925       21.5986193436       16.2821717996
  H         9.3916904079       23.4926227234       13.3989407070
  H         6.6704961931       20.3549209624       12.2007515363
  H         4.4644512982       17.0823108635       13.8620836688
  H         1.9707262048       18.3064553351       10.6615577565
  H         4.3966886730       21.2482897762       12.7315886997
  F        15.6465286919        1.2804927131       -0.3111479247
  C        15.6800121318        1.6451338170        1.0117166851
  F        17.0024220881        1.9037174699        1.3065880600
  F        15.0204131008        2.8330701766        1.1156947092
  C        15.1010701764        0.5852403993        1.9130788302
  C        14.3314747751        0.9549105602        3.0299321037
  C        13.8126660005       -0.0097898062        3.9274656982
  C        14.2394243349       -1.3319152053        3.7230476377
  C        14.9978353085       -1.7049714089        2.5999671269
  C        15.3838095404       -0.7596579026        1.6508991374
  C        15.4665313950       -3.1143682491        2.3890301055
  F        16.0449467536       -3.3111941969        1.1709624568
  F        14.4630069134       -4.0461768087        2.4896995423
  F        16.4120566523       -3.4477062379        3.3475426935
  B        12.8189854095        0.2398023705        5.2251637866
  C        11.6978966233        1.4053503584        4.9587966492
  C        11.1319412594        1.4628622458        3.6672860897
  C        10.1737434480        2.4387941315        3.3196788702
  C         9.7184753895        3.3339657241        4.2932703773
  C        10.2627878920        3.2921555722        5.5809317830
  C        11.2389270854        2.3336277049        5.9073296585
  C         9.9227961877        4.2986658066        6.6519506763
  F        11.0511387121        4.8742404982        7.1860929454
  F         9.1345971522        5.3323030742        6.2276298145
  F         9.2831854832        3.6866407750        7.7020946910
  C         9.6349259642        2.6967538343        1.9153873425
  F         9.4799162403        1.5303285529        1.2289645603
  F         8.4093330640        3.3342568344        1.9107665866
  F        10.4334581588        3.5082177375        1.1274916082
  C        11.8456409405       -1.0541870250        5.5662975321
  C        11.3454126051       -1.9549490318        4.6057519623
  C        10.3206825972       -2.8578769598        4.9126781589
  C         9.8152672125       -3.0076483412        6.2033550698
  C        10.3128169093       -2.1388504710        7.1782443515
  C        11.2809118355       -1.1852805481        6.8512055853
  C         9.9340448924       -2.2074054350        8.6296017145
  F         9.5859495167       -0.9798131597        9.1562049410
  F         8.8980455584       -3.0565478522        8.8742642280
  F        11.0082110259       -2.6137865155        9.3930144900
  C         9.7475166368       -3.7099984000        3.8299634926
  F         8.8005528681       -4.5699219780        4.3062374017
  F        10.7085437413       -4.4579004101        3.1995871028
  F         9.1341970661       -2.9629084922        2.8515694155
  C        13.8713718658        0.5678503667        6.4148745618
  C        14.3622646054        1.8707637819        6.6240063526
  C        15.3071160679        2.1830744457        7.6150846000
  C        15.7858467705        1.1712528106        8.4458218951
  C        15.3886337228       -0.1408190290        8.1606699727
  C        14.4693407292       -0.4547799954        7.1642812391
  C        16.0210496926       -1.2319371722        8.9347264963
  F        16.0447423181       -0.8789981416       10.2694345742
  F        17.3251759337       -1.4861153011        8.5712594956
  F        15.3724683297       -2.4201310810        8.8026294090
  C        15.8723734174        3.5803552727        7.6636566876
  F        16.4735990793        3.8701129781        8.8583952146
  F        14.9166616279        4.5296448782        7.4110614235
  F        16.8201341507        3.7832402104        6.6769202451
  H        14.1136153338        2.0146721695        3.1558446982
  H        13.8672884791       -2.0529323458        4.4498255103
  H        15.8808192143       -1.0950934339        0.7402384137
  H        11.5479319785        0.7337603201        2.9723077470
  H         8.9752234778        4.0539035975        3.9636962023
  H        11.6900328074        2.3733035943        6.8980892728
  H        11.7695399046       -2.0041097520        3.6038089855
  H         9.1412619154       -3.8414528821        6.3880260714
  H        11.6260449420       -0.5568771932        7.6684495018
  H        14.0069632234        2.6617444075        5.9677668960
  H        16.4832308630        1.3552240749        9.2595473535
  H        14.2486415038       -1.5093450077        6.9799688413
  H        10.6731459745       11.8616961439        4.7204793311
  H        11.8439966594       10.3552290053        3.5011626057
     646
 i =       40, E =         0.0952437072
 Rh         3.5980586883        0.2388421110        4.8247234633
  P         5.3601992283        0.6221116929        6.2685535958
  C         5.3178956536       -0.2703048143        7.8889435821
  C         4.7806291835       -1.7006401670        7.6703979091
  C         4.4921904793       -2.3855126761        9.0121804124
  C         5.6752801782       -2.1878547315        9.9758619886
  C         6.1985116665       -0.7556756850       10.1658307707
  C         6.5543443029       -0.1331288576        8.8124051251
  C         5.6445422572        2.3759290978        6.7604339730
  C         4.6773783895        2.7806660471        7.9070179817
  C         4.5916619088        4.3004028385        8.1447940412
  C         4.5223593434        5.0918743526        6.8399300830
  C         5.7555358628        4.7754629518        5.9965810147
  C         5.5808740733        3.3214117959        5.5367984676
  C         6.9619628107        0.0756565989        5.4613113583
  C         6.8977929676        0.2114479497        3.9424747124
  P         5.2833024333       -0.2492370117        3.2370996545
  C         5.4649619861       -2.0339684066        2.7081149167
  C         4.3071354134       -2.4548311321        1.7833195461
  C         4.3902157242       -3.9337913609        1.3892750565
  C         4.1956949609       -4.7715526589        2.6624796740
  C         5.3046722065       -4.4276524627        3.6756005966
  C         5.3781518648       -2.9064025838        3.9774965462
  C         5.2663273352        0.7423741006        1.6817396503
  C         4.9663265541        2.2563354289        1.9136083916
  C         4.4159165440        2.8202417262        0.5908354033
  C         5.4469158244        2.5972218123       -0.5236143994
  C         5.9482220869        1.1559432140       -0.6728262526
  C         6.4458660132        0.5942907907        0.6726076683
  C         1.8903608410        0.2928337628        3.4537339140
  C         1.9024341428       -0.9730624391        4.0438294191
  C         1.0479694848       -0.8780287687        5.3112812845
  C         1.8717874006        0.0736165980        6.2177937827
  C         1.8073225256        1.3424732491        5.6349178192
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  H        15.5490277764       12.6032110454       -0.1841108121
  H        15.5344666984        9.0382095551        0.4530832471
  H        16.2353467223       10.6187327014        0.7869329878
  H        13.8612611417       10.1966853165       -1.0956091410
  H        15.4972478641       10.5870467673       -1.6241423674
  H        13.3751020365        9.9133205654        8.2549866652
  H        12.9353982674        7.6507674852        6.9155099701
  H        14.5513688800        7.1980067012        7.3787171139
  H        12.8738641167        6.1974807442        8.8579280102
  H        12.5032296668        7.7339722850        9.5894570244
  H        14.3890540056        6.9991235395       10.9851512625
  H        15.3650711376        6.5801290203        9.5824936666
  H        15.8968564139        8.9384677687       10.6443590008
  H        14.1906427415        9.2978265636       10.3544728753
  H        16.2750889822        9.0707979484        8.0927748552
  H        15.5890842137       10.5104139507        8.7937690310
  H        10.5942935783       10.0655579171        2.4845334691
  H        11.1640852427        9.1410479091        7.2153208033
  H         9.3107627674       10.5460469247        6.6161172779
  H         8.0942023569        9.6314557734        4.3322286140
  H         8.3088178508        8.2194426958        5.3407405077
  H         9.9467826757        7.8909684403        3.2436738454
  H         9.0853262520       11.2745237705        4.1590363673
  H        11.5060418716        7.1826972007        5.1925908091
  F         8.5012353140       11.6068589225        1.4515318248
  C         7.2323001078       11.2527897654        1.0440982810
  F         6.4806154080       12.3811057077        1.0260423079
  F         7.3405149844       10.8311102058       -0.2758154899
  C         6.6670812449       10.1923159407        1.9305863165
  C         7.1620829754        8.8949927337        1.7720669180
  C         6.5137974247        7.8808337169        2.4748589385
  C         5.5200841163        8.1897886051        3.4162497891
  C         5.1378924348        9.5135534611        3.7244553282
  C         5.7038666894       10.5088120342        2.8935307154
  B         4.2332055000        9.8671109535        5.0603118994
  C         3.2275206980        8.6713583328        5.5217767245
  C         2.5033291708        7.8733016057        4.6318669097
  C         1.6252991953        6.8751474844        5.0826665598
  C         1.3278081146        6.7439071410        6.4480904310
  C         1.9578374032        7.6240217212        7.3424107607
  C         2.9341156582        8.5229116364        6.8849464129
  C         1.6114772881        7.5426131977        8.8073919976
  F         0.6284952251        6.6423319729        9.0902735398
  F         2.6932802440        7.1640630090        9.5581538447
  F         1.1800160478        8.7375473159        9.3157716067
  C         1.1409518633        5.9699994768        3.9853059140
  F         2.1745706835        5.2428431080        3.4474074204
  F         0.1864159964        5.0655841300        4.3321905501
  F         0.6490549050        6.7229312926        2.9347832233
  C         5.3660584747       10.1824168503        6.2199591952
  C         6.0107341898        9.1537457288        6.9262835821
  C         6.9354572841        9.3971039006        7.9438226336
  C         7.3585898885       10.6897055411        8.2575600374
  C         6.8047345506       11.7338286525        7.4978112479
  C         5.7989435546       11.4777793203        6.5493038448
  C         7.3042917345       13.1437451030        7.6988167249
  F         7.8296285169       13.3463097633        8.9454675043
  F         6.3223193749       14.0789227628        7.4881637573
  F         8.3207764842       13.4789008126        6.8182030601
  C         7.2960825272        8.1370481055        8.6719940353
  F         8.4446438427        8.2260441601        9.3927120117
  F         7.4300166443        7.0977504884        7.7853436249
  F         6.2893467586        7.7388838689        9.5344100658
  C         3.1657618377       11.0943946981        4.8335360840
  C         2.5781564870       11.2573269772        3.5677735426
  C         1.6646615339       12.2846202836        3.3019801198
  C         1.2982490460       13.2084169967        4.2710361827
  C         1.8186490726       13.0282061569        5.5522299434
  C         2.7052497202       11.9672072743        5.8344275690
  C         1.1038142621       12.3851056421        1.9244351791
  F         1.0156247846       11.1603174098        1.3173634577
  F         1.8854482689       13.1580780325        1.0995411983
  F        -0.1604808876       12.9063750122        1.9079893357
  C         6.8341995485        6.4297971824        2.2216003154
  F         7.6139144347        6.2406352770        1.1118270189
  F         7.4996628471        5.8833522842        3.2984744409
  F         5.7128722183        5.6486725743        2.0556618780
  F         0.7108065927       15.0285929954        6.2532581567
  F         0.9136517213       13.3838853516        7.7271518151
  F         2.6809346738       14.5685363699        7.1198874590
  C         1.5218496362       13.9958047594        6.6568066700
  H         8.0007809812        8.7020265219        1.1055221934
  H         5.0170570304        7.3533296245        3.8960102833
  H         5.4127152146       11.5563051032        2.9871799539
  H         2.6444409035        8.0137685198        3.5591767199
  H         0.6445467326        5.9954810641        6.8489972684
  H         3.5292400772        9.1526008831        7.5449712849
  H         5.7766100852        8.1057990667        6.7718520260
  H         8.0453822578       10.9210078614        9.0705732920
  H         5.2912030954       12.3203511130        6.0865259668
  H         2.8210291236       10.5669974574        2.7675445338
  H         0.5943693538       14.0032423553        4.0161645068
  H         3.0625595317       11.8658430918        6.8601939277
  F         9.9776572703        8.3856874673       18.4821433454
  C        11.2666318824        8.6596693149       18.8697029655
  F        11.9386545219        7.4768913314       18.8352470181
  F        11.2138442276        9.0201166739       20.1954704814
  C        11.8459103828        9.7567598135       18.0348584336
  C        11.3551570974       11.0526645138       18.2081697443
  C        11.8425567002       12.0261876546       17.3351436880
  C        12.7135828196       11.7007983816       16.2872798009
  C        13.2331832040       10.4112798315       16.1143597081
  C        12.7928589693        9.4568917633       17.0521982767
  B        14.1436378019        9.9811685839       14.8160553546
  C        15.1674340809       11.1690155901       14.3709879048
  C        15.8305861372       11.9734856813       15.3101579565
  C        16.7164821494       12.9722094932       14.8821837791
  C        17.0695258026       13.1048004684       13.5357853078
  C        16.4776233980       12.2609105950       12.5880480827
  C        15.5190053110       11.3331689368       13.0170167211
  C        16.8069145016       12.3887962336       11.1097810017
  F        17.7975003399       13.2811305209       10.8572289126
  F        15.7361483341       12.8137750697       10.3468152405
  F        17.2261205002       11.1942545646       10.5618100949
  C        17.2444414806       13.9349532473       15.9037024307
  F        16.2473309258       14.6730435910       16.4928650920
  F        18.1461952593       14.8370725851       15.4027421550
  F        17.8470711394       13.2588901184       16.9408378018
  C        13.0875838451        9.5985046530       13.5820123310
  C        12.4799752513       10.6434117708       12.8464991384
  C        11.4906640971       10.4218557115       11.8720430097
  C        10.9862261817        9.1330240064       11.6722739648
  C        11.6111492775        8.0767339772       12.3427926579
  C        12.6679590731        8.2941309553       13.2311056256
  C        11.0231252799        6.7018440968       12.2132984478
  F        10.4909322356        6.4921397735       10.9815570201
  F        11.9209454688        5.6947518481       12.4598691135
  F        10.0092418631        6.5004786116       13.1258258878
  C        10.9140654464       11.5343513712       11.0283627974
  F         9.7411525356       11.1778507746       10.4137812118
  F        10.6286646515       12.6621206717       11.7371240814
  F        11.7533343835       11.8875434843        9.9936265997
  C        15.1913544346        8.7757784886       15.1110359228
  C        15.8862016722        8.6378170270       16.3255843267
  C        16.8100340780        7.6012744761       16.4799541706
  C        17.0903200913        6.7108095189       15.4444463400
  C        16.4750600093        6.8733635753       14.2121808201
  C        15.5471439435        7.9151520863       14.0567269554
  C        17.4924572034        7.2783503029       17.7673389976
  F        17.6168033150        8.3327738170       18.6243555798
  F        16.8131360805        6.3021976022       18.4571550642
  F        18.7635046297        6.7923094830       17.5342281693
  C        11.3771526192       13.4392016090       17.4381870714
  F        10.7786044078       13.6816596757       18.6316710349
  F        10.4772624585       13.7385536179       16.4300584963
  F        12.4000104518       14.3402817048       17.3062399061
  F        17.6271369712        4.9025826877       13.4835467926
  F        17.3760864451        6.5346788038       12.0221077831
  F        15.6562029737        5.2807556956       12.6108096914
  C        16.7815651082        5.9123788229       13.0874136178
  H        10.6045935720       11.2903089354       18.9630523070
  H        12.9308470422       12.4894433641       15.5685057617
  H        13.1685787835        8.4429405531       17.0004910829
  H        15.6766293355       11.8093684608       16.3800942028
  H        17.7902087229       13.8648339862       13.2556077006
  H        15.0121711058       10.7087601118       12.2856854252
  H        12.7841673212       11.6626477005       13.0871696849
  H        10.0878108855        8.9677320985       11.0836698600
  H        13.1227997249        7.3987273736       13.6577463232
  H        15.7360948595        9.3606770950       17.1284620932
  H        17.7971126675        5.9120402851       15.6392248832
  H        15.0758466805        8.0872572409       13.0946332929
  F         2.7273135165       18.6324893820       20.1545233093
  C         2.7000054440       18.3118686975       18.8130215709
  F         1.3794918444       18.0284953038       18.5127755690
  F         3.3594752800       17.1211672086       18.6467606475
  C         3.2955228827       19.4150643871       17.9672876420
  C         4.1253507373       19.0711886097       16.8862576183
  C         4.6680602281       20.0184410562       15.9856779407
  C         4.2612801102       21.3452154353       16.2003593406
  C         3.4781070563       21.7001362667       17.3047411265
  C         3.0093624676       20.7609905763       18.2201180675
  C         2.9369933023       23.0831369046       17.4397351930
  F         2.3013656925       23.2966330869       18.6287461518
  F         3.9058882207       24.0385378698       17.3068646103
  F         1.9940588499       23.2961504394       16.4445115208
  B         5.6126593751       19.6350959290       14.6829742179
  C         6.7135859786       18.4797457533       14.9820146388
  C         7.3494729850       18.3651243947       16.2287337047
  C         8.2823954351       17.3548068833       16.4703113287
  C         8.6252326131       16.4393451195       15.4821938818
  C         8.0524316407       16.5779904061       14.2156389716
  C         7.1509409278       17.6256027420       13.9568284597
  C         8.4132064112       15.6064879871       13.1246829257
  F         7.3103343833       15.0333108099       12.5422456755
  F         9.2084359138       14.5739376954       13.5657358279
  F         9.1055937088       16.2302889181       12.1106938007
  C         8.8028368235       17.1747800772       17.8569262632
  F         8.9180148447       18.3790441345       18.4918194049
  F        10.0227329902       16.5650964668       17.8944131111
  F         7.9729148137       16.4087655473       18.6458375437
  C         6.6423276034       20.8301152646       14.2888523440
  C         7.2158391769       21.6570390008       15.2672110996
  C         8.1982371206       22.5963132965       14.9350534310
  C         8.6513477147       22.7329564368       13.6181639718
  C         8.0683419773       21.9356678459       12.6293203335
  C         7.1042203247       20.9836535771       12.9745657802
  C         8.3985827677       22.1065318477       11.1704753223
  F         8.8174665127       20.9047439196       10.6306692947
  F         9.3729339721       23.0299649713       10.9304857849
  F         7.3145053124       22.5109380362       10.4208574321
  C         8.6873033395       23.5656539542       15.9710628825
  F         9.5948109188       24.4627089564       15.4775595515
  F         7.6860423748       24.3451449595       16.5035412297
  F         9.2766794727       22.8897602971       17.0188448132
  C         4.5825433026       19.2320913674       13.4638653860
  C         4.0941562750       17.9254189141       13.2731328166
  C         3.1270207191       17.6572045088       12.2926427794
  C         2.6234170092       18.6512614240       11.4616410044
  C         3.0351806659       19.9739875090       11.6735869966
  C         4.0208046917       20.2336686574       12.6399958921
  C         2.3974552054       21.0991623707       10.8872689182
  F         2.3644757220       20.7828073951        9.5422139717
  F         1.0908049333       21.3358573993       11.2671634015
  F         3.0351805170       22.3047578036       11.0033320758
  C         2.5161900360       16.2935795079       12.1914261959
  F         1.9306952430       16.0481465791       10.9881147239
  F         3.4276793528       15.3005151276       12.4004319025
  F         1.5229246242       16.1213186653       13.1324085212
  H         4.3392609036       18.0164161737       16.7621840093
  H         4.5383091151       22.1027765809       15.4643744379
  H         2.4110487572       21.1426170163       19.0445128571
  H         7.1185149054       19.0537009715       17.0366502576
  H         9.3328594076       15.6501042846       15.7191051952
  H         6.7662052749       17.8179286214       12.9521294139
  H         6.8282307904       21.5999507398       16.2837020816
  H         9.3912970064       23.4921492726       13.3947665152
  H         6.6712132908       20.3556699126       12.1980715050
  H         4.4644372202       17.0866005910       13.8641552324
  H         1.9636173333       18.3173958790       10.6612188095
  H         4.3929762807       21.2501536559       12.7341940915
  F        15.6440369063        1.2769836320       -0.3089882400
  C        15.6768267792        1.6431703719        1.0129754391
  F        16.9977229943        1.9001966258        1.3138090124
  F        15.0220112151        2.8336008063        1.1090968899
  C        15.0986299769        0.5880148488        1.9144249812
  C        14.3277122625        0.9533991459        3.0291953484
  C        13.8087647238       -0.0121336795        3.9240445952
  C        14.2367173355       -1.3328213175        3.7166785005
  C        14.9956602843       -1.7057851264        2.5982599634
  C        15.3850354129       -0.7574741751        1.6504122018
  C        15.4654293751       -3.1165336196        2.3917831470
  F        16.0454192967       -3.3123665674        1.1728377714
  F        14.4588622920       -4.0469377492        2.4947523389
  F        16.4129272570       -3.4499843712        3.3492497259
  B        12.8187187777        0.2404860751        5.2233379914
  C        11.7001537365        1.4083940894        4.9536697953
  C        11.1313108926        1.4693080129        3.6628157255
  C        10.1740103328        2.4421312499        3.3177070999
  C         9.7186600942        3.3391323799        4.2941124434
  C        10.2662011154        3.2935545796        5.5799594921
  C        11.2401347764        2.3366811442        5.9027622381
  C         9.9205991550        4.2974738587        6.6511413536
  F        11.0475464949        4.8749233333        7.1857062898
  F         9.1290804786        5.3319348268        6.2292811301
  F         9.2866575920        3.6844626888        7.7030966372
  C         9.6379664464        2.6953552060        1.9174820888
  F         9.4877854976        1.5284731967        1.2312982134
  F         8.4102885514        3.3342560202        1.9110950077
  F        10.4388097315        3.5047455298        1.1317865098
  C        11.8450464199       -1.0532423375        5.5664083570
  C        11.3436860738       -1.9538166768        4.6059121810
  C        10.3219694970       -2.8580406540        4.9131802440
  C         9.8168236365       -3.0073989875        6.2049903620
  C        10.3150824954       -2.1372791748        7.1797004124
  C        11.2840233854       -1.1835316144        6.8513377275
  C         9.9343327640       -2.2083865268        8.6302316983
  F         9.5875503963       -0.9809927158        9.1594201990
  F         8.8989085178       -3.0558309976        8.8740346012
  F        11.0097032101       -2.6148959675        9.3899210684
  C         9.7493284546       -3.7128386519        3.8310246134
  F         8.8035122736       -4.5719352407        4.3076306094
  F        10.7118184222       -4.4592644679        3.2038218576
  F         9.1381510233       -2.9640482509        2.8514481899
  C        13.8691775686        0.5716351557        6.4116915487
  C        14.3614606505        1.8710954364        6.6229225210
  C        15.3063714814        2.1837475268        7.6092917218
  C        15.7893778150        1.1701804254        8.4423815322
  C        15.3903016545       -0.1387691023        8.1583266041
  C        14.4702382002       -0.4526752315        7.1653105251
  C        16.0229376975       -1.2343460400        8.9397042033
  F        16.0452374541       -0.8810750184       10.2710628121
  F        17.3272133516       -1.4890407541        8.5786229957
  F        15.3740036925       -2.4209069548        8.8060656546
  C        15.8702578643        3.5774652774        7.6644348149
  F        16.4741863556        3.8656086192        8.8580590462
  F        14.9151403955        4.5290309284        7.4125529145
  F        16.8206527805        3.7831855239        6.6772119800
  H        14.1117026255        2.0143754055        3.1583803963
  H        13.8749754393       -2.0595364954        4.4455230727
  H        15.8832047194       -1.0887668826        0.7430552655
  H        11.5393884895        0.7383374593        2.9633906072
  H         8.9752043982        4.0593851941        3.9732667823
  H        11.6890094999        2.3715536057        6.8978818830
  H        11.7670207669       -1.9982979066        3.6019712020
  H         9.1381086389       -3.8333681082        6.3949643387
  H        11.6278432269       -0.5518965372        7.6664741340
  H        14.0058339384        2.6648012267        5.9684045340
  H        16.4840017444        1.3589522784        9.2571685766
  H        14.2453770073       -1.5041645544        6.9796442639
  H        10.6724597918       11.8601788435        4.7257002786
  H        11.8397177162       10.3502061873        3.4908837188
     646
 i =       41, E =         0.0772177576
 Rh         3.6001221443        0.2350763889        4.8252253332
  P         5.3633946384        0.6229460007        6.2692684723
  C         5.3153503466       -0.2695401975        7.8889585490
  C         4.7822945093       -1.7008379217        7.6716190197
  C         4.4949874384       -2.3864759964        9.0134133683
  C         5.6768986462       -2.1910322927        9.9787733400
  C         6.1988082943       -0.7579283748       10.1656471161
  C         6.5520258636       -0.1349622179        8.8106551852
  C         5.6458989155        2.3777395324        6.7607617315
  C         4.6769128888        2.7824271682        7.9051067287
  C         4.5910677218        4.3019607153        8.1453554897
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  C         7.1578717749        8.8928151709        1.7693301197
  C         6.5093449750        7.8785600350        2.4727271996
  C         5.5173598966        8.1906397113        3.4158884036
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  C         5.7030976796       10.5074138667        2.8958917086
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  C         2.5063523176        7.8729767991        4.6325304481
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  F         2.6948705207        7.1634803844        9.5546424705
  F         1.1810578734        8.7360852817        9.3141490975
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  F         0.1871135051        5.0664791965        4.3309656967
  F         0.6494433316        6.7237875559        2.9332355071
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  F         7.4320130675        7.0973982157        7.7849914745
  F         6.2903281007        7.7376289876        9.5343638740
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  C         2.5749082923       11.2632772452        3.5689746377
  C         1.6671870241       12.2727880261        3.2983113303
  C         1.2912067135       13.2121493908        4.2739830900
  C         1.8233385454       13.0231520741        5.5538428495
  C         2.7055652219       11.9738668674        5.8342408374
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  F         7.5010982002        5.8830295058        3.2990428725
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  F        11.2124093053        9.0194970323       20.1990764670
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  C        11.3565862260       11.0550392953       18.2066813651
  C        11.8436171233       12.0226564369       17.3325487767
  C        12.7118317054       11.7031654300       16.2844690385
  C        13.2321167817       10.4053469195       16.1110930022
  C        12.7917914276        9.4589301985       17.0507250447
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  C        15.8311633013       11.9753927429       15.3063942833
  C        16.7171081460       12.9725989424       14.8808285152
  C        17.0712648549       13.1089723078       13.5339383490
  C        16.4759568225       12.2618810802       12.5870001160
  C        15.5201663202       11.3348097193       13.0142166056
  C        16.8086235515       12.3885112467       11.1106936607
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  F        15.7378248168       12.8123145308       10.3480304634
  F        17.2294524236       11.1931066974       10.5649158710
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  F        18.1460833228       14.8358597907       15.4049578637
  F        17.8456882862       13.2565655630       16.9432130961
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  C        11.4863408854       10.4202769272       11.8730543147
  C        10.9889251437        9.1316279011       11.6754758227
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  F        11.9213550903        5.6935173131       12.4617564796
  F        10.0089433595        6.4999721457       13.1267158814
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  F        10.6292256611       12.6614308124       11.7374485728
  F        11.7549030606       11.8861793165        9.9969216398
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  C        15.8890405624        8.6351095851       16.3256858500
  C        16.8111722282        7.6023309416       16.4799117711
  C        17.0948941743        6.7054116394       15.4461203131
  C        16.4712097932        6.8746076935       14.2094329350
  C        15.5506055019        7.9113977256       14.0567711690
  C        17.4932789175        7.2765033842       17.7682950294
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  F        16.8113685020        6.3043009099       18.4632145979
  F        18.7645232691        6.7920601229       17.5360269210
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  F        14.4542839825       -4.0470323527        2.4973825543
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  C        11.1326411608        1.4734496700        3.6583869351
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  C        10.2668343570        3.2972377535        5.5776464738
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  C        14.4683038881       -0.4474053327        7.1629632345
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  F        14.9150692910        4.5282938951        7.4137796537
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  H        15.8871169841       -1.0829193958        0.7441898916
  H        11.5303553201        0.7438027425        2.9546587953
  H         8.9742467444        4.0660826741        3.9825846838
  H        11.6872375157        2.3695844938        6.8957563097
  H        11.7638617675       -1.9922647612        3.6010467743
  H         9.1340262462       -3.8261807520        6.4022806533
  H        11.6299244927       -0.5466677174        7.6646079326
  H        14.0048202278        2.6674602814        5.9695904097
  H        16.4850527795        1.3625929388        9.2547127846
  H        14.2419197934       -1.5000633497        6.9796135177
  H        10.6736296262       11.8604380668        4.7313676734
  H        11.8347434203       10.3435119213        3.4805245532
     646
 i =       42, E =         0.0674024426
 Rh         3.6021749259        0.2317394399        4.8256188486
  P         5.3660429442        0.6236918077        6.2697966177
  C         5.3127070442       -0.2688738666        7.8888105007
  C         4.7841883310       -1.7013295448        7.6727181897
  C         4.4975980846       -2.3872625033        9.0145505139
  C         5.6784713842       -2.1943835704        9.9813765332
  C         6.1991373586       -0.7604698263       10.1652121123
  C         6.5492549276       -0.1367031676        8.8090066575
  C         5.6473629402        2.3793928491        6.7612825764
  C         4.6764767398        2.7841838868        7.9032737391
  C         4.5905529625        4.3032297180        8.1458597299
  C         4.5224197190        5.0983965237        6.8429582303
  C         5.7522387534        4.7753758947        5.9966555092
  C         5.5835607520        3.3215141292        5.5381139507
  C         6.9668880677        0.0796184190        5.4653593733
  C         6.9025796726        0.2154317374        3.9458212896
  P         5.2841995537       -0.2481855746        3.2391143698
  C         5.4606684229       -2.0317683722        2.7114263674
  C         4.3061842975       -2.4519503367        1.7843421798
  C         4.3881313966       -3.9306998614        1.3926905814
  C         4.1968620131       -4.7682617033        2.6636141959
  C         5.3064614493       -4.4257074793        3.6734985408
  C         5.3783212533       -2.9083797898        3.9780434441
  C         5.2584730128        0.7414480855        1.6814857183
  C         4.9627255029        2.2519911028        1.9125420615
  C         4.4171829412        2.8206759013        0.5912740967
  C         5.4464099099        2.6006740790       -0.5255604226
  C         5.9413111900        1.1560090182       -0.6702081633
  C         6.4362061306        0.5940851734        0.6759771492
  C         1.8869087850        0.2959470965        3.4537019323
  C         1.9006025150       -0.9686352486        4.0457900174
  C         1.0483222699       -0.8733593523        5.3147889706
  C         1.8746719809        0.0739900036        6.2210027423
  C         1.8130821255        1.3411915714        5.6340478869
  C         0.9881917324        1.1789976836        4.3392317773
  C        -0.0426570126        0.1530773220        4.8928496565
  H         4.5116070863        0.2378573172        8.4491990631
  H         5.4826202780       -2.3415106979        7.1142059256
  H         3.8899339973       -1.6209861597        7.0309825700
  H         4.3784129155       -3.4633348676        8.8204620751
  H         3.5536255610       -2.0479246277        9.4634079559
  H         5.4379121665       -2.6246359421       10.9596530882
  H         6.5201826001       -2.7697122892        9.5743797514
  H         7.1091422634       -0.8081772584       10.7829624758
  H         5.4938890474       -0.1024761696       10.6979539634
  H         6.8322413065        0.9150070085        8.9641865974
  H         7.4411229619       -0.6443483389        8.4257956799
  H         6.6755684387        2.3664124836        7.1539306259
  H         4.9995120886        2.2843554545        8.8287174458
  H         3.6671698774        2.4089149432        7.6839857390
  H         5.4706298891        4.6350846838        8.7142165633
  H         3.7076357721        4.5392138676        8.7554769800
  H         4.4317260253        6.1668231846        7.0633956548
  H         3.6163001543        4.8200525967        6.2812341588
  H         6.6521099615        4.8849849907        6.6192905726
  H         5.8770117796        5.4674505226        5.1547169873
  H         6.3125203371        3.0213379604        4.7732430076
  H         4.5929709278        3.2413510632        5.0577734684
  H         7.8020943161        0.6922108277        5.8239774515
  H         7.1399952107       -0.9547452206        5.7946650543
  H         7.6932549982       -0.3186129741        3.4006229839
  H         6.9900661555        1.2781728033        3.6845400634
  H         6.4501853499       -2.1515266875        2.2368184021
  H         4.1625964133       -1.7969756999        0.9184437838
  H         3.4067256389       -2.3546103690        2.4032778505
  H         5.3476160942       -4.1412429580        0.8954461651
  H         3.6160951962       -4.1844409538        0.6559395763
  H         4.1506370742       -5.8385313952        2.4141159491
  H         3.2083872916       -4.5362292981        3.0886027891
  H         5.1961224012       -4.9582115388        4.6316685270
  H         6.2518422698       -4.7690234314        3.2300450541
  H         6.2135445657       -2.6830832035        4.6558805775
  H         4.4724507392       -2.5721067765        4.5127464204
  H         4.3866704956        0.2849002842        1.1884976963
  H         5.8895217111        2.7743015387        2.2024267658
  H         4.2595083625        2.4257452185        2.7413378619
  H         4.2328827557        3.9043539068        0.6243447493
  H         3.4447493918        2.3399813318        0.4063733842
  H         6.2835323344        3.2576359201       -0.2446816060
  H         5.0632771938        2.9584838720       -1.4894661390
  H         6.7066809487        1.0939242213       -1.4617441028
  H         5.1125464399        0.5136552833       -1.0045696784
  H         7.3069632187        1.1653305123        1.0180111965
  H         6.7668668268       -0.4440755468        0.5420364986
  H         2.2769891745        0.5650125005        2.4771026144
  H         2.2115184939       -1.9072833544        3.5964249404
  H         0.7504015116       -1.8271078921        5.7602485930
  H         2.0160144323       -0.0760286104        7.2865755707
  H         1.8576229600        2.2655967851        6.2085316062
  H         0.6186769424        2.0884394476        3.8595246362
  H        -0.5175128535        0.5586227330        5.7943275386
  H        -0.7981054347       -0.1912389734        4.1842222399
 Rh        14.7283317513       19.6640787855       14.9104314812
  P        12.8960640870       19.2012798066       13.4857342832
  C        13.0454885707       20.2115246477       11.9600849373
  C        13.4774102847       21.6588328083       12.2508218372
  C        13.8060304275       22.3219930033       10.9118241380
  C        12.6688856465       22.2172334627        9.8887746843
  C        12.2682886359       20.7593701392        9.6404110983
  C        11.8901679958       20.0609015311       10.9558032364
  C        12.6057125066       17.4766416142       12.8354862618
  C        13.6324150856       17.0463427875       11.7702416091
  C        13.5489081064       15.5322132315       11.5284848180
  C        13.7870502530       14.7465366174       12.8208111580
  C        12.6642928369       15.0592105972       13.8111534921
  C        12.6400994416       16.5703682613       14.0797208284
  C        11.2861542934       19.6621429452       14.3617473494
  C        11.4839486420       19.7459096329       15.8871850890
  P        13.1426333221       20.2098984699       16.5411312578
  C        12.9670679568       21.9997728494       16.9956148970
  C        13.9786090784       22.4910738472       18.0554231896
  C        14.0382125325       24.0364455364       18.1436214819
  C        14.0660853238       24.7544478877       16.7868159378
  C        12.9087367570       24.2617463420       15.9203683331
  C        13.1484005477       22.7719353712       15.6828594098
  C        13.2768170413       19.2311369041       18.1320881846
  C        13.5361539640       17.7444829225       17.8056408309
  C        14.0315044091       17.0105575039       19.0573532402
  C        13.0401093707       17.1482325352       20.2131516273
  C        12.5925242613       18.5995525621       20.4597552234
  C        12.1525245548       19.3722638467       19.1861362432
  C        16.3955798940       19.6637635342       16.3238766852
  C        16.4521048348       20.8548280828       15.5964975836
  C        17.3626999747       20.5801402312       14.3833064163
  C        16.5110646326       19.5746825074       13.5572923101
  C        16.4804496501       18.3987225087       14.3087519921
  C        17.2991132180       18.6617241134       15.5892638347
  C        18.3966131032       19.5943415568       14.9857874367
  H        13.9492377373       19.7798197034       11.4940398174
  H        12.7512850764       22.2487464230       12.8293184776
  H        14.3919930977       21.5848059732       12.8658529734
  H        14.1226139310       23.3630382305       11.0524730884
  H        14.6608066123       21.7612946242       10.5090496498
  H        13.0014944303       22.6521113955        8.9373124947
  H        11.7888771723       22.7893666197       10.2155532969
  H        11.4521977080       20.7292856721        8.9032670215
  H        13.1174116492       20.2233083445        9.1857357855
  H        11.6649200643       18.9998418012       10.7817732977
  H        10.9770114764       20.5028201492       11.3692310453
  H        11.5979429684       17.4340843630       12.3892063915
  H        13.4883553894       17.5748320081       10.8152266691
  H        14.6485651635       17.2884621800       12.1127939677
  H        12.5517372333       15.2777041811       11.1363519352
  H        14.2838871196       15.2568275914       10.7638127989
  H        13.8904108477       13.6735739351       12.6070745319
  H        14.7443179504       15.0453886626       13.2754249363
  H        11.6991672958       14.7021334841       13.4247268285
  H        12.8392310101       14.5676052176       14.7777832993
  H        11.7825347698       16.8425253023       14.7086590692
  H        13.5517498987       16.8159411102       14.6480421451
  H        10.5281352090       18.8812246161       14.1943263519
  H        10.8724832703       20.5813005607       13.9150543211
  H        10.7358068339       20.3776663322       16.3804405589
  H        11.3906547366       18.7285203360       16.2834199713
  H        11.9265517926       22.1704486152       17.3206427679
  H        13.7318992868       22.0999487157       19.0537075073
  H        14.9554485834       22.0527087197       17.8045205896
  H        13.1384504696       24.3786636555       18.6746943710
  H        14.8807026277       24.3683424804       18.7665876066
  H        14.0474017975       25.8392660878       16.9563732391
  H        14.9897256718       24.5466212577       16.2284856262
  H        12.8476517090       24.7822931277       14.9581019603
  H        11.9523223705       24.4080060290       16.4440740271
  H        12.5009502515       22.3598485743       14.9002371135
  H        14.1836054247       22.6214923147       15.3338034248
  H        14.1683241161       19.6519513326       18.6324058024
  H        12.5920752549       17.3022878098       17.4537830867
  H        14.2558395185       17.6556272189       16.9772350755
  H        14.2436215905       15.9463296654       18.8716848590
  H        14.9891205463       17.4600316522       19.3595084817
  H        12.1408951873       16.5367542376       20.0487401208
  H        13.5205559122       16.7436872170       21.1159119521
  H        11.7900412219       18.5397727832       21.2094553515
  H        13.4200969185       19.1806497263       20.8927050534
  H        11.1780254295       19.0197581085       18.8228615376
  H        12.0309072428       20.4366344192       19.4273348878
  H        15.9238886341       19.4872859792       17.2852017205
  H        16.1475240140       21.8451099159       15.9299080168
  H        17.7658141617       21.4544867502       13.8668363044
  H        16.3307547378       19.6486629689       12.4864286864
  H        16.2663505782       17.3882985724       13.9662047122
  H        17.5688464641       17.7727575200       16.1636705683
  H        18.9569297834       19.0904951870       14.1876713982
  H        19.1016688465       20.0720875151       15.6768474840
 Rh         6.0098899237       10.0685155645       14.9987744450
  P         4.1874371783        9.5498777653       13.6581181697
  C         3.6165528572        7.8363902448       13.1144711074
  C         3.5708174579        6.8733015577       14.3114578882
  C         3.6283305406        5.4008373612       13.8716802946
  C         4.8523386475        5.0937232395       13.0065801371
  C         4.7414873148        5.8850190534       11.7038959736
  C         4.6079231705        7.3865508513       12.0246449212
  C         2.6234474737       10.1980632470       14.4085659203
  C         2.6601319001       10.1125370444       15.9332758328
  P         4.3758630630       10.6192815662       16.4935947731
  C         4.1599560344       12.3816562034       17.0097003198
  C         3.9593690878       13.2862901515       15.7663760157
  C         4.0439470781       14.7801421644       16.1154310811
  C         5.3607333179       15.0381711330       16.8740924901
  C         5.4038759705       14.2751188139       18.2057862229
  C         5.2997276161       12.7627973990       17.9851502165
  C         4.6744378348        9.7122698195       18.0528835753
  C         5.0133181974        8.2360450458       17.8130892898
  C         5.2695536160        7.5194731691       19.1382900416
  C         4.0203300748        7.6010706520       20.0276554966
  C         3.4431888532        9.8190277718       18.9479768598
  C         3.6834461194        9.0840152657       20.2703428297
  C         4.4261568638       10.5317404297       12.1021986562
  C         4.7320373814       12.0258576882       12.3651686808
  C         4.9436724236       12.7878919213       11.0373401496
  C         3.8351680845       12.5526205623        9.9981189559
  C         3.4879454732       11.0704787340        9.8329629354
  C         3.2315704994       10.3426654715       11.1592604546
  C         7.9349468963       11.2316753701       15.5674432816
  C         7.6130128564        8.6777683171       14.3667258119
  C         8.5366464198        8.9362730378       15.5733122556
  C         9.6665086885        9.7646144930       14.8890473926
  C         8.6789208982       10.7924488301       14.2886480625
  C         7.8048028853       10.0672727374       16.3368941768
  C         7.6864127295        9.8450652156       13.5887233711
  H         2.5833921126        7.9612585181       12.7408862211
  H         4.4321649385        7.0822005117       14.9606783570
  H         2.6649542015        7.0608947557       14.9082031868
  H         2.7438653770        5.1300290873       13.2782945874
  H         3.6141102570        4.7814341051       14.7732960803
  H         5.7861074450        5.3845673226       13.5113199198
  H         4.9236820105        4.0081178056       12.8437106529
  H         5.6377222080        5.7449324093       11.0810668076
  H         3.8987106502        5.5296995731       11.0941355059
  H         4.3773481850        7.9409393740       11.1130129412
  H         5.5881416072        7.7371326236       12.3747362330
  H         2.5197183227       11.2446887479       14.1002630123
  H         1.7881011176        9.6304085115       13.9824733676
  H         1.9031839412       10.7758096648       16.3767053640
  H         2.4142357149        9.0988213810       16.2837949915
  H         3.2031189581       12.4233077465       17.5507441921
  H         4.6857247664       13.0603193174       14.9721105668
  H         2.9635593416       13.0494713809       15.3626386481
  H         3.9192571940       15.3769902161       15.1941564312
  H         3.1799912307       15.0508308222       16.7378429649
  H         5.5699686688       16.1002730127       17.0576573742
  H         6.2156743058       14.6764087809       16.2802914412
  H         6.3498361140       14.5113599699       18.7101721225
  H         4.6115752862       14.6039532978       18.8925805517
  H         6.2665824400       12.3815410386       17.6242246260
  H         5.1355361795       12.2484908374       18.9456876435
  H         5.5149583639       10.2241858032       18.5494860922
  H         5.8504656614        8.0938023920       17.1140097737
  H         4.1225065122        7.7822898335       17.3595211636
  H         6.0939808757        8.0184193917       19.6711536816
  H         5.6055355194        6.4934858806       18.9300100119
  H         4.2020140607        7.0848625134       20.9781845055
  H         3.1508102378        7.1028342171       19.5714621213
  H         3.1674435250       10.8764088485       19.0659750628
  H         2.5945456631        9.3341849125       18.4485971599
  H         4.5312622644        9.5365914227       20.8079042835
  H         2.7817222676        9.1825055988       20.8845816830
  H         5.3093818800       10.0781809520       11.6209399490
  H         5.6325973887       12.1433961519       12.9947207043
  H         3.9122132098       12.4651761051       12.9515241788
  H         5.0144674919       13.8670738994       11.2304638972
  H         5.9176903205       12.4865454688       10.6274934874
  H         4.1552612369       12.9352487754        9.0163066969
  H         2.9472288608       13.1357288307       10.2749165278
  H         2.6477777633       10.9529060451        9.1331428676
  H         4.3506434130       10.5691465039        9.3675350174
  H         2.3077305807       10.6523643319       11.6664804450
  H         3.1189130049        9.2725391493       10.9605219811
  H         7.9267749894       12.2517359921       15.9426943968
  H         7.2338328336        7.7036050137       14.0755398016
  H         8.7942854826        8.0824343414       16.2081104795
  H        10.3815818903       10.1972165995       15.5992566293
  H        10.1942314570        9.2538350867       14.0798981358
  H         9.0993015670       11.5518191767       13.6232901178
  H         7.5448712486       10.0039738511       17.3835871311
  H         7.3377169209       10.0098750911       12.5796912941
 Rh        12.6791122710        9.6324419526        4.7186992667
  P        14.3105378424       10.1027800980        6.1522415926
  C        14.4110044871       11.9017740516        6.6742375571
  C        14.7390211799       12.8594739652        5.5139689115
  C        14.7366869306       14.3261466713        5.9787784677
  C        13.4878464190       14.6929067858        6.7859667324
  C        13.3331739832       13.7949950902        8.0167928977
  C        13.1842285910       12.3490761699        7.4994385602
  C        15.9674560126        9.7064381735        5.3939108700
  C        15.8813404862        9.9377376918        3.8810861520
  P        14.2848243968        9.3814636002        3.1702670087
  C        14.2986692160        7.5940592442        2.6893461775
  C        14.5472002615        6.6852920805        3.9025068424
  C        14.4401928706        5.1973884971        3.5415932168
  C        13.0846206197        4.9220378881        2.8513266852
  C        12.9689399193        5.7736091768        1.5710857108
  C        13.0186452556        7.2718884498        1.8964641119
  C        14.1840466080       10.3228262444        1.5803660985
  C        14.0017491519       11.8235756279        1.8473016033
  C        13.5649914847       12.5282195750        0.5663541715
  C        14.5778729282       12.2407823030       -0.5435516044
  C        15.2923212867       10.1032849375        0.5229578791
  C        14.7830092541       10.7304824848       -0.7952484652
  C        14.1435182449        9.2773874833        7.7659967577
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  H        11.5100803749        7.1904418244        5.2043512058
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  F         7.3456135481       10.8301272126       -0.2740688907
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  C         7.1528761682        8.8910299708        1.7671587229
  C         6.5055494461        7.8774201006        2.4705330716
  C         5.5150149518        8.1883498884        3.4156818698
  C         5.1359957309        9.5114089013        3.7249294082
  C         5.7040335112       10.5060694066        2.8962710001
  B         4.2338900538        9.8709372121        5.0608237323
  C         3.2296129670        8.6741891703        5.5272705527
  C         2.5097726698        7.8732267627        4.6342683394
  C         1.6275659392        6.8775248860        5.0797531398
  C         1.3268163639        6.7460536258        6.4424672853
  C         1.9555560083        7.6207015894        7.3400090165
  C         2.9304661062        8.5221925793        6.8896541472
  C         1.6121656157        7.5385634876        8.8042189386
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  F         2.6964461459        7.1626676678        9.5506196411
  F         1.1814890162        8.7347696697        9.3135177742
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  F         0.1873666608        5.0668476420        4.3305823614
  F         0.6498172452        6.7242838844        2.9323037967
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  C         6.0004801695        9.1552361166        6.9245239254
  C         6.9247494897        9.3955361794        7.9447865252
  C         7.3495256995       10.6872616452        8.2576602996
  C         6.8014700418       11.7361541185        7.4998933135
  C         5.7986925783       11.4830412165        6.5476541213
  C         7.3074769125       13.1441422190        7.6994308638
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  F         6.3233002703       14.0782348667        7.4878015255
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  F         7.4333511650        7.0972882323        7.7848577229
  F         6.2909664051        7.7370239382        9.5343626109
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  C         2.5807561416       11.2559279056        3.5654605841
  C         1.6584741389       12.2804329220        3.3024330221
  C         1.2956960667       13.1997383020        4.2734798609
  C         1.8199775618       13.0271660435        5.5509789791
  C         2.7133317453       11.9702151820        5.8320926786
  C         1.1086150878       12.3828341835        1.9210498813
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  F         1.8920263655       13.1570898314        1.0987096441
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  F         7.5017077841        5.8832030857        3.2992347966
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  F        11.2115855575        9.0194072438       20.2029523180
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  C        11.3608985444       11.0487498418       18.2046635849
  C        11.8434045949       12.0233549142       17.3301776974
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  C        13.2297755391       10.4075547071       16.1069393800
  C        12.7938722885        9.4519224280       17.0484050646
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  C        15.8299168185       11.9755980787       15.3012934673
  C        16.7188644819       12.9743772694       14.8789087531
  C        17.0703913661       13.1099916098       13.5321886143
  C        16.4771722720       12.2655571219       12.5869118747
  C        15.5195861546       11.3343892023       13.0107020168
  C        16.8099794885       12.3875346931       11.1117292573
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  F        15.7389121506       12.8113424911       10.3483749914
  F        17.2316768413       11.1923216156       10.5658082744
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  F        18.1460707572       14.8350967610       15.4059163892
  F        17.8446311077       13.2551185992       16.9444868652
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  C        12.4754465897       10.6464515313       12.8471027027
  C        11.4857693780       10.4209647169       11.8770639793
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  C        11.6098682137        8.0750394230       12.3483037120
  C        12.6620641725        8.2981300302       13.2375419569
  C        11.0245066473        6.6999491222       12.2170893886
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  F        11.9215597674        5.6930054022       12.4628278887
  F        10.0088468664        6.4996458224       13.1273437441
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  F        10.6294342923       12.6613175617       11.7380249131
  F        11.7563186824       11.8856113135       10.0005963961
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  C        15.8875661954        8.6350765014       16.3223570117
  C        16.8156377854        7.5977397657       16.4793060012
  C        17.0921022139        6.7070651606       15.4432323452
  C        16.4751518233        6.8695228714       14.2142953038
  C        15.5485983018        7.9123746977       14.0528006006
  C        17.4932174951        7.2756464824       17.7705728398
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  F        16.8088047713        6.3070974935       18.4693124242
  F        18.7644167727        6.7915296825       17.5369908856
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  F        10.4773319001       13.7381123931       16.4309849321
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  H        15.7312398343        9.3508771601       17.1303120059
  H        17.7988121289        5.9035475416       15.6298949934
  H        15.0823567068        8.0793097682       13.0885458376
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  F         3.3601190896       17.1234133964       18.6441910990
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  C         8.2778394422       17.3490145944       16.4707469488
  C         8.6251053752       16.4362235768       15.4821989930
  C         8.0592619886       16.5774934059       14.2137812684
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  C         8.4193584762       15.6083163752       13.1184851847
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  F         7.6875273786       24.3476142854       16.5035847758
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  F         3.4302409549       15.3008186024       12.3990566460
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  C        14.3193331369        0.9519843907        3.0285261398
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  F        14.4500036725       -4.0467285461        2.4987494441
  F        16.4123870559       -3.4517654044        3.3540065705
  B        12.8167202427        0.2413727892        5.2183366657
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  C        11.1318037173        1.4802513063        3.6547853715
  C        10.1736808141        2.4515833871        3.3185240323
  C         9.7204699734        3.3483920535        4.2947514626
  C        10.2710389630        3.2979735217        5.5781089524
  C        11.2458257460        2.3408770469        5.8962125386
  C         9.9178680314        4.2969673848        6.6506850706
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  F         9.1248534747        5.3303981122        6.2309447568
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  F         8.4141171484        3.3320088631        1.9102136080
  F        10.4501764603        3.4983841782        1.1423615525
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  C        11.3416042008       -1.9509114225        4.6057773239
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  C        10.3202260935       -2.1334016246        7.1820751078
  C        11.2886231786       -1.1807175562        6.8530964013
  C         9.9362158052       -2.2079966110        8.6310682480
  F         9.5881835989       -0.9817040951        9.1618235842
  F         8.8992509906       -3.0560663517        8.8740961091
  F        11.0114037520       -2.6159476813        9.3897258660
  C         9.7538638788       -3.7154079643        3.8349173461
  F         8.8095927457       -4.5748597416        4.3118180182
  F        10.7192181147       -4.4614467276        3.2154722465
  F         9.1413329165       -2.9671045308        2.8533350986
  C        13.8675225840        0.5755223615        6.4081764596
  C        14.3593141047        1.8733745300        6.6191302917
  C        15.3068726154        2.1822613885        7.6024148494
  C        15.7963586599        1.1701183004        8.4354929565
  C        15.3957799484       -0.1395543686        8.1568880723
  C        14.4703551137       -0.4468620688        7.1654385485
  C        16.0247321234       -1.2359238160        8.9438624271
  F        16.0454363120       -0.8830579540       10.2756987158
  F        17.3287891773       -1.4922119453        8.5822146158
  F        15.3738323327       -2.4220770663        8.8083875388
  C        15.8693257737        3.5751687457        7.6636590559
  F        16.4741847891        3.8614230400        8.8588462949
  F        14.9148941112        4.5279032566        7.4143966518
  F        16.8200137724        3.7826286713        6.6785212341
  H        14.1072136612        2.0127649914        3.1644042112
  H        13.8902356663       -2.0726231199        4.4363109487
  H        15.8906627327       -1.0764379582        0.7470089799
  H        11.5217108170        0.7487610314        2.9451024788
  H         8.9744425659        4.0718192465        3.9921096568
  H        11.6864576089        2.3672946165        6.8950503749
  H        11.7607238166       -1.9861390662        3.5995995762
  H         9.1308141106       -3.8178281336        6.4095607944
  H        11.6320741176       -0.5414611012        7.6629182118
  H        14.0030012174        2.6716757875        5.9695938437
  H        16.4858274263        1.3665153238        9.2514092043
  H        14.2381908878       -1.4953223850        6.9796763984
  H        10.6742543537       11.8590461495        4.7367811236
  H        11.8293147314       10.3358518045        3.4698367653
     646
 i =       43, E =         0.0676074471
 Rh         3.6037946155        0.2287407347        4.8260115523
  P         5.3684422377        0.6244048046        6.2702432909
  C         5.3097549237       -0.2682372673        7.8885582989
  C         4.7860844504       -1.7019278781        7.6737511922
  C         4.5001760373       -2.3881432078        9.0155989458
  C         5.6801159919       -2.1980142051        9.9838093149
  C         6.1993502899       -0.7631587669       10.1646979377
  C         6.5463820172       -0.1384548567        8.8072221376
  C         5.6490136323        2.3809693307        6.7620225305
  C         4.6760746518        2.7858205808        7.9015592780
  C         4.5901108691        4.3043879712        8.1465209882
  C         4.5224631811        5.1014469083        6.8445484756
  C         5.7508562825        4.7754953586        5.9965135069
  C         5.5846821329        3.3213915214        5.5387202720
  C         6.9695261572        0.0814507947        5.4675545394
  C         6.9054126850        0.2174065653        3.9473314102
  P         5.2845313348       -0.2475614998        3.2405486299
  C         5.4586943315       -2.0309160703        2.7132739428
  C         4.3055421982       -2.4502043080        1.7845068138
  C         4.3872730008       -3.9292623281        1.3943966047
  C         4.1977440012       -4.7669432668        2.6644890226
  C         5.3077978770       -4.4250899073        3.6727854544
  C         5.3786857386       -2.9095584015        3.9789471884
  C         5.2542782369        0.7406827653        1.6813703034
  C         4.9608620079        2.2498712364        1.9120439004
  C         4.4178810508        2.8212049842        0.5913306798
  C         5.4465686653        2.6026158298       -0.5265334318
  C         5.9382392009        1.1560430760       -0.6691450280
  C         6.4314965605        0.5935419530        0.6776045205
  C         1.8854786306        0.2967567609        3.4541676494
  C         1.8998237898       -0.9659685405        4.0469146115
  C         1.0482609593       -0.8713994984        5.3165317250
  C         1.8761408226        0.0745504136        6.2219502878
  C         1.8164401400        1.3396581988        5.6338468547
  C         0.9881876975        1.1802881026        4.3406425821
  C        -0.0426370467        0.1537226145        4.8927548277
  H         4.5068829096        0.2414852991        8.4437847388
  H         5.4887568704       -2.3354654725        7.1132464952
  H         3.8895229855       -1.6261346449        7.0352374657
  H         4.3747150035       -3.4641242419        8.8246943388
  H         3.5561557436       -2.0434476395        9.4600886084
  H         5.4374914399       -2.6287620868       10.9619997580
  H         6.5217505991       -2.7741312166        9.5780387453
  H         7.1090878092       -0.8061024769       10.7833470114
  H         5.4895467420       -0.1090764855       10.6961226450
  H         6.8305511460        0.9132431650        8.9585688578
  H         7.4367660309       -0.6439229744        8.4168825910
  H         6.6772329797        2.3746302636        7.1546365428
  H         4.9960172060        2.2864889437        8.8278683426
  H         3.6676562901        2.4081620059        7.6819826464
  H         5.4702163141        4.6360312519        8.7150105207
  H         3.7085034749        4.5349569628        8.7602484128
  H         4.4330359313        6.1705658467        7.0644740456
  H         3.6170991270        4.8233358815        6.2820557043
  H         6.6524823453        4.8846719983        6.6162774728
  H         5.8741427913        5.4645136141        5.1521493619
  H         6.3164519662        3.0230615784        4.7755813090
  H         4.5952155567        3.2366088300        5.0579772862
  H         7.8043212931        0.6912919821        5.8329587630
  H         7.1413337686       -0.9543840550        5.7925396281
  H         7.6973499624       -0.3185885773        3.4062032097
  H         6.9948269096        1.2793430505        3.6833926561
  H         6.4460020132       -2.1502472475        2.2343554384
  H         4.1684458198       -1.7968944011        0.9164553145
  H         3.4007879845       -2.3500112091        2.3952552097
  H         5.3475220988       -4.1428101461        0.9006243334
  H         3.6133264530       -4.1790977519        0.6585560651
  H         4.1566265806       -5.8377987886        2.4180115104
  H         3.2088290311       -4.5355786479        3.0891059602
  H         5.1934953045       -4.9598606414        4.6286710672
  H         6.2562584911       -4.7660608290        3.2342308732
  H         6.2157874270       -2.6877071261        4.6551558973
  H         4.4721836737       -2.5793920879        4.5158486998
  H         4.3808908483        0.2913383365        1.1846631193
  H         5.8881616465        2.7715578366        2.2001471446
  H         4.2568189166        2.4206670482        2.7404973447
  H         4.2291969419        3.9034610276        0.6341399024
  H         3.4468833829        2.3403805236        0.3995672620
  H         6.2891541173        3.2553019660       -0.2532892129
  H         5.0621487618        2.9616529569       -1.4897683389
  H         6.7089795184        1.0944821101       -1.4546243717
  H         5.1097588673        0.5150867567       -1.0075183042
  H         7.3031020431        1.1632737046        1.0200862979
  H         6.7635246380       -0.4442916089        0.5465185806
  H         2.2685172710        0.5648345375        2.4737566997
  H         2.2104043950       -1.9057084601        3.5985742401
  H         0.7493280124       -1.8245632019        5.7606841469
  H         2.0221522517       -0.0815382260        7.2873047351
  H         1.8686252677        2.2680876344        6.2018659444
  H         0.6182909774        2.0906085703        3.8631476116
  H        -0.5249640006        0.5579169328        5.7906345322
  H        -0.7940110746       -0.1944617437        4.1813933431
 Rh        14.7275896824       19.6639694725       14.9115860468
  P        12.8979541737       19.2005589246       13.4875437431
  C        13.0464688317       20.2104284499       11.9610055722
  C        13.4781807034       21.6580318120       12.2485985010
  C        13.8080567212       22.3223924660       10.9098439059
  C        12.6700590909       22.2187910609        9.8871408585
  C        12.2683017695       20.7606207149        9.6413173012
  C        11.8908642332       20.0629252566       10.9574239215
  C        12.6061365014       17.4756430403       12.8386233669
  C        13.6333079078       17.0453097353       11.7727427573
  C        13.5513423614       15.5314580347       11.5274143092
  C        13.7876377158       14.7466725959       12.8206750604
  C        12.6653747927       15.0597549643       13.8119554573
  C        12.6391106727       16.5699127824       14.0834145374
  C        11.2887967365       19.6600227096       14.3632016302
  C        11.4798056266       19.7426437067       15.8892319151
  P        13.1405361382       20.2082195515       16.5400319419
  C        12.9682676500       21.9986433426       16.9949124550
  C        13.9788337552       22.4905041661       18.0549649411
  C        14.0369544507       24.0352574493       18.1438949844
  C        14.0669002753       24.7537491006       16.7873008853
  C        12.9098403621       24.2628485210       15.9190771764
  C        13.1460079888       22.7726650815       15.6821225381
  C        13.2778100411       19.2311378410       18.1299666126
  C        13.5364914990       17.7444280370       17.8053288907
  C        14.0321541630       17.0119273840       19.0578814103
  C        13.0396497470       17.1486074278       20.2141313520
  C        12.5933376722       18.6006644071       20.4602327718
  C        12.1556474131       19.3720651222       19.1855936845
  C        16.3956003279       19.6620063722       16.3256742124
  C        16.4514091133       20.8557465358       15.5958918283
  C        17.3615645836       20.5793003999       14.3830121685
  C        16.5097228858       19.5761875626       13.5560555904
  C        16.4783181953       18.3964793394       14.3086170812
  C        17.2983267555       18.6608040527       15.5879958123
  C        18.3953242426       19.5936050806       14.9860423960
  H        13.9469051747       19.7732134460       11.4941691436
  H        12.7475829183       22.2436349225       12.8255992793
  H        14.3897358770       21.5913873436       12.8685041802
  H        14.1234814093       23.3635767023       11.0520230625
  H        14.6664318854       21.7673340884       10.5058680045
  H        13.0010080620       22.6574975647        8.9365178701
  H        11.7905316111       22.7902504207       10.2158029762
  H        11.4487413324       20.7252527895        8.9082867441
  H        13.1168381439       20.2242018798        9.1862945159
  H        11.6658900020       19.0023152964       10.7816579838
  H        10.9768416333       20.5040436911       11.3700323092
  H        11.5989247789       17.4365565750       12.3905697985
  H        13.4865323409       17.5767413170       10.8201941062
  H        14.6497280148       17.2899112437       12.1129069336
  H        12.5546733904       15.2771057636       11.1348108652
  H        14.2848121426       15.2549679748       10.7606928107
  H        13.8859164314       13.6730075553       12.6085078595
  H        14.7458546640       15.0453673810       13.2733743244
  H        11.7005487808       14.7029959134       13.4252728513
  H        12.8372599781       14.5643719591       14.7772914651
  H        11.7822539783       16.8393249621       14.7152348433
  H        13.5507067158       16.8172313074       14.6508809819
  H        10.5303877610       18.8819936056       14.1860673643
  H        10.8787692344       20.5813647716       13.9193894682
  H        10.7296362310       20.3751575836       16.3794524914
  H        11.3818722783       18.7259066294       16.2864246992
  H        11.9295786837       22.1665647828       17.3262532942
  H        13.7306110918       22.0978696660       19.0525470041
  H        14.9590673556       22.0599637599       17.8057438226
  H        13.1372525963       24.3770954643       18.6747712105
  H        14.8824117551       24.3617998776       18.7654661757
  H        14.0461600941       25.8384906618       16.9550518619
  H        14.9944676826       24.5485444286       16.2340967369
  H        12.8480132685       24.7864746179       14.9582519023
  H        11.9524372518       24.4097890311       16.4402881419
  H        12.4970858320       22.3616281752       14.9003973505
  H        14.1798149045       22.6219028349       15.3300310211
  H        14.1717896358       19.6500686293       18.6261968734
  H        12.5937074726       17.2992057307       17.4535732049
  H        14.2566390760       17.6546995274       16.9773503066
  H        14.2419214366       15.9484194361       18.8664477333
  H        14.9908327258       17.4595070034       19.3595843855
  H        12.1435029415       16.5344709725       20.0440873731
  H        13.5160115710       16.7451905487       21.1196281706
  H        11.7884300244       18.5516445679       21.2080224621
  H        13.4215487923       19.1776406823       20.8984119281
  H        11.1827702168       19.0175716147       18.8199517129
  H        12.0282246917       20.4347209310       19.4295785698
  H        15.9363668868       19.4902700779       17.2916095628
  H        16.1494412917       21.8445593685       15.9291574348
  H        17.7611154662       21.4546915290       13.8642555854
  H        16.3288248720       19.6509692683       12.4881318345
  H        16.2613032631       17.3903666061       13.9636073004
  H        17.5734091852       17.7726962969       16.1623946933
  H        18.9588483057       19.0898610044       14.1901869016
  H        19.0960712045       20.0685294785       15.6828774210
 Rh         6.0103632423       10.0702600501       14.9986232505
  P         4.1863268025        9.5513266378       13.6578131420
  C         3.6220888128        7.8365119820       13.1143163044
  C         3.5734277034        6.8729050193       14.3127996700
  C         3.6283068716        5.3999548120       13.8736337069
  C         4.8523447129        5.0944344817       13.0078093826
  C         4.7416445822        5.8862289660       11.7054727294
  C         4.6127250883        7.3877454739       12.0232891488
  C         2.6209822800       10.1993271930       14.4073685874
  C         2.6612752254       10.1144232633       15.9323552406
  P         4.3753648304       10.6198543528       16.4950207615
  C         4.1585929342       12.3814801022       17.0111404131
  C         3.9594434773       13.2856032348       15.7685413678
  C         4.0449787500       14.7784424606       16.1195667953
  C         5.3613813352       15.0386651646       16.8743024160
  C         5.4048864768       14.2755213257       18.2043432492
  C         5.2996679745       12.7640053343       17.9830254428
  C         4.6718786964        9.7106218192       18.0542162061
  C         5.0110267564        8.2341559211       17.8120074335
  C         5.2686519916        7.5190783726       19.1389394592
  C         4.0211432135        7.6012955967       20.0307832463
  C         3.4420670312        9.8173265266       18.9520554875
  C         3.6814484446        9.0829397366       20.2744639391
  C         4.4242159083       10.5314684029       12.1013298323
  C         4.7307475292       12.0250673583       12.3635750065
  C         4.9443441119       12.7876149557       11.0372685846
  C         3.8352946752       12.5531608773        9.9986465901
  C         3.4897659277       11.0705198196        9.8318501024
  C         3.2309480219       10.3435774065       11.1574499489
  C         7.9327319898       11.2223237114       15.5678921662
  C         7.6131639778        8.6844232656       14.3648245559
  C         8.5361617355        8.9355624190       15.5737398761
  C         9.6658946345        9.7638254380       14.8894046863
  C         8.6793513623       10.7935158728       14.2872943724
  C         7.8063343212       10.0701457173       16.3321661048
  C         7.6872135695        9.8425504085       13.5901738538
  H         2.5910844515        7.9600037350       12.7351304963
  H         4.4334409870        7.0794490422       14.9646699745
  H         2.6673117887        7.0603646734       14.9092811941
  H         2.7414670880        5.1318908504       13.2827868823
  H         3.6130702346        4.7791632073       14.7744951345
  H         5.7850810303        5.3831948047       13.5159833520
  H         4.9251036860        4.0101913700       12.8389660413
  H         5.6367376633        5.7460734384       11.0816015528
  H         3.8965782429        5.5307940375       11.0988008639
  H         4.3836877357        7.9400316430       11.1094736201
  H         5.5953712678        7.7349814496       12.3693000043
  H         2.5176157458       11.2457474020       14.0977499463
  H         1.7830125201        9.6331874754       13.9833464055
  H         1.9053129354       10.7771018505       16.3782650903
  H         2.4219746799        9.0992506345       16.2826018767
  H         3.2039176231       12.4236461414       17.5559629246
  H         4.6883801462       13.0582726952       14.9768567415
  H         2.9654085910       13.0516896433       15.3591042163
  H         3.9274357888       15.3747145752       15.1982729348
  H         3.1822632716       15.0524643450       16.7426676549
  H         5.5642099935       16.1022813891       17.0557916808
  H         6.2131326192       14.6790272254       16.2752107368
  H         6.3497512372       14.5081462482       18.7121286565
  H         4.6084064413       14.6046287349       18.8860095326
  H         6.2657614284       12.3831387421       17.6198151912
  H         5.1347097161       12.2521625270       18.9442689339
  H         5.5160709335       10.2206476144       18.5467511277
  H         5.8496302662        8.0984779335       17.1132372032
  H         4.1243879973        7.7766788072       17.3529798097
  H         6.0955647374        8.0159887455       19.6692025717
  H         5.6016032206        6.4916127327       18.9347100203
  H         4.2016160464        7.0856200080       20.9820832258
  H         3.1559233310        7.1017797594       19.5682872090
  H         3.1666606870       10.8735955822       19.0764772859
  H         2.5940945969        9.3357236800       18.4487909643
  H         4.5276030608        9.5404921330       20.8104866923
  H         2.7813174434        9.1821023121       20.8919244401
  H         5.3090680629       10.0790362542       11.6222899128
  H         5.6309208383       12.1390231025       12.9939062032
  H         3.9100800343       12.4672320928       12.9463243857
  H         5.0182088320       13.8661675009       11.2332203141
  H         5.9174421770       12.4855184219       10.6259201739
  H         4.1560605945       12.9394491668        9.0187551961
  H         2.9453903204       13.1332837500       10.2759145881
  H         2.6456523573       10.9514754238        9.1374615700
  H         4.3514687102       10.5685446025        9.3645725037
  H         2.3068416283       10.6589818940       11.6608177420
  H         3.1134154199        9.2741519878       10.9578181221
  H         7.9152949501       12.2512811743       15.9389793821
  H         7.2340526028        7.7038402508       14.0755516360
  H         8.7955757504        8.0804358914       16.2021457421
  H        10.3804339039       10.1976833970       15.5993415526
  H        10.1957572652        9.2454530281       14.0861309989
  H         9.0972089476       11.5586894502       13.6299499603
  H         7.5462701187       10.0059063623       17.3875696386
  H         7.3389604083       10.0053200962       12.5739003546
 Rh        12.6790053133        9.6368314770        4.7186590278
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  C        14.7376344586       14.3262505779        5.9804156621
  C        13.4882759673       14.6947578362        6.7857626336
  C        13.3337201718       13.7936124325        8.0132426438
  C        13.1848252823       12.3482639841        7.4964709669
  C        15.9669714561        9.7042220998        5.3939749806
  C        15.8836722355        9.9379191241        3.8816071044
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  C        14.5468369371        6.6857657703        3.9028347674
  C        14.4386972521        5.1983344401        3.5400949978
  C        13.0855337323        4.9225098681        2.8506743672
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  C        13.0206692440        7.2713553648        1.8961439946
  C        14.1817410965       10.3224951533        1.5811167598
  C        14.0003880047       11.8243623236        1.8479800968
  C        13.5652555741       12.5304766505        0.5661663479
  C        14.5791985684       12.2419456783       -0.5437319833
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  C        14.7837141536       10.7321531440       -0.7933175080
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  C        13.6992937424        7.8021964907        7.6888990884
  C        13.3184954085        7.2067977338        9.0570732527
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  C        15.0662636155        8.7560117522        9.9762388715
  C        15.3824867418        9.4313483656        8.6348075449
  C        10.6887055229        9.9786215100        3.5522094482
  C        10.8714388338        9.1490718128        6.1707448919
  C         9.7055163287       10.0380859269        5.7395089071
  C         8.8493891415        9.0545891555        4.8810743585
  C        10.0942298024        8.5875613895        4.0619472202
  C        10.0551507890       10.9805548796        4.5394058871
  C        11.0396671226        8.1776556190        5.1816102284
  H        15.3018855747       11.8886988756        7.3263664272
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  H        15.6141557989       14.5098670608        6.6138567266
  H        14.8463508168       14.9875316369        5.1096567512
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  H        12.4674239222       14.1098258855        8.6168670100
  H        14.1951530993       13.8702918183        8.6954788367
  H        13.0025542725       11.6621109532        8.3261274260
  H        12.3028547863       12.2812615850        6.8407442905
  H        16.1053091846        8.6412243633        5.6321914442
  H        16.8437327215       10.2425407110        5.7870669457
  H        16.7840990940        9.5851717939        3.3642812587
  H        15.7861235654       11.0152806797        3.6807426510
  H        15.1525238963        7.4330181483        2.0081480774
  H        13.8227607085        6.8906715992        4.7033687532
  H        15.5443894383        6.9374005402        4.2864147946
  H        14.6195954719        4.6106914529        4.4551348427
  H        15.2517393544        4.9173326445        2.8543980904
  H        12.9514857688        3.8546596486        2.6256749903
  H        12.2245785926        5.1756064738        3.4922310479
  H        12.0403924237        5.5350542199        1.0385158612
  H        13.8004349089        5.5521568734        0.8863353369
  H        12.1107551850        7.5716330789        2.4376050972
  H        13.0343834259        7.8752362608        0.9783738967
  H        13.2556654546        9.9600739870        1.1073215883
  H        13.2935848948       12.0160950707        2.6667031425
  H        14.9689925539       12.2403635010        2.1512390695
  H        12.5519988612       12.2104839388        0.2790678193
  H        13.5234731696       13.6120835476        0.7483763540
  H        14.3310516483       12.8353208916       -1.4319674364
  H        15.5518040752       12.6174415389       -0.1944947157
  H        15.5305680923        9.0359835455        0.4329920476
  H        16.2201834150       10.6089270135        0.8019582010
  H        13.8577296280       10.2173171285       -1.0985026120
  H        15.5062642948       10.5845819940       -1.6105154126
  H        13.3590616538        9.8827103748        8.2460084932
  H        12.9258899983        7.6579839510        6.9269973342
  H        14.5588226258        7.2034245209        7.3575295046
  H        12.9079017199        6.1967294401        8.8829864127
  H        12.5067011007        7.7501052684        9.5671556169
  H        14.3800219203        6.9889771804       10.9780206357
  H        15.3602778527        6.5914946766        9.5769465262
  H        15.9034631311        8.9179709994       10.6613391035
  H        14.2015893490        9.3122342029       10.3735502261
  H        16.2698390542        9.0471081095        8.1126830094
  H        15.5875746770       10.4987804854        8.8048855049
  H        10.5394225075       10.0879976253        2.4747933032
  H        11.1805876519        9.1219204496        7.2124994203
  H         9.2779767894       10.5529519173        6.6015879222
  H         8.0939453511        9.6148433452        4.3169828852
  H         8.3355243631        8.2178838608        5.3695369516
  H         9.9420135598        7.8758824097        3.2474111961
  H         9.0901314012       11.3157127434        4.1463773962
  H        11.5124559299        7.1944390507        5.2107134852
  F         8.5086697984       11.6003151034        1.4594300112
  C         7.2402395622       11.2498275697        1.0471419458
  F         6.4870566515       12.3789236533        1.0257080979
  F         7.3466408011       10.8299168263       -0.2728642460
  C         6.6664508153       10.1906712848        1.9307521019
  C         7.1483995694        8.8892247038        1.7644238308
  C         6.5017251919        7.8753049285        2.4687655137
  C         5.5129173220        8.1873079069        3.4156250590
  C         5.1354290723        9.5098564080        3.7249443568
  C         5.7042039770       10.5050345869        2.8972885384
  B         4.2343163840        9.8730483061        5.0611617719
  C         3.2309403531        8.6759553614        5.5297613027
  C         2.5129654045        7.8733040170        4.6352768390
  C         1.6290694399        6.8786909049        5.0777812845
  C         1.3260824281        6.7463668739        6.4394038433
  C         1.9541419612        7.6191395149        7.3384814506
  C         2.9285621480        8.5219033339        6.8918543816
  C         1.6119266754        7.5369491019        8.8024428129
  F         0.6291264238        6.6402887519        9.0892893568
  F         2.6979439749        7.1618345308        9.5464780465
  F         1.1817194349        8.7334533774        9.3132383387
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  F         2.1753571225        5.2433941307        3.4461232549
  F         0.1878237608        5.0674115758        4.3304217219
  F         0.6500914210        6.7245861978        2.9315983416
  C         5.3629040005       10.1897466277        6.2182454153
  C         5.9953874322        9.1601366593        6.9233313032
  C         6.9182209998        9.3909132282        7.9438058006
  C         7.3461578124       10.6892834959        8.2583078431
  C         6.8005541546       11.7356013798        7.5012710698
  C         5.7988505626       11.4887810461        6.5466016186
  C         7.3096165306       13.1442149818        7.6997299156
  F         7.8407816589       13.3455100956        8.9446520739
  F         6.3253807269       14.0781722759        7.4879239048
  F         8.3282273814       13.4788190393        6.8201313093
  C         7.2950506593        8.1364761095        8.6696052228
  F         8.4451977350        8.2267982141        9.3916651001
  F         7.4341910588        7.0971994352        7.7845971084
  F         6.2912110303        7.7365297624        9.5343669862
  C         3.1762352078       11.0992837092        4.8262399787
  C         2.5779181594       11.2621519479        3.5668518845
  C         1.6628539346       12.2690910855        3.2986391826
  C         1.2887447364       13.2040212166        4.2747685489
  C         1.8252225285       13.0220236453        5.5531297586
  C         2.7138057148       11.9760856068        5.8312001384
  C         1.1093133493       12.3829808600        1.9206567175
  F         1.0181624571       11.1577588378        1.3146230368
  F         1.8939733541       13.1560776452        1.0986042429
  F        -0.1557926266       12.9046035518        1.9036730352
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  F         7.6193825313        6.2402396947        1.1127399652
  F         7.5020673133        5.8833653533        3.2993896228
  F         5.7179231801        5.6409253360        2.0547874186
  F         0.7112756131       15.0296657771        6.2379946156
  F         0.8990739968       13.3859125236        7.7140297197
  F         2.6784181449       14.5675855640        7.1186235300
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  H         7.9848469714        8.6922162880        1.0978250972
  H         5.0179639798        7.3553762071        3.9118948646
  H         5.4072114091       11.5489723115        2.9976122887
  H         2.6481794988        8.0056620022        3.5617597902
  H         0.6438459394        5.9946823249        6.8277007453
  H         3.5024214685        9.1429490481        7.5771121632
  H         5.7549314691        8.1121644804        6.7462515105
  H         8.0462705904       10.9066574241        9.0602199496
  H         5.3043115241       12.3319854584        6.0757779004
  H         2.8285899657       10.5662061092        2.7641580153
  H         0.6024131071       14.0034350775        4.0320810646
  H         3.0661900070       11.8649658923        6.8580011116
  F         9.9774625252        8.3862273854       18.4832143620
  C        11.2655873762        8.6583469041       18.8770017860
  F        11.9344927192        7.4737953259       18.8411030118
  F        11.2112544513        9.0189987047       20.2078691411
  C        11.8548744997        9.7474174117       18.0360076661
  C        11.3621550921       11.0504116604       18.2038479258
  C        11.8447491315       12.0200948442       17.3271986308
  C        12.7124247644       11.6994754441       16.2778846095
  C        13.2288534279       10.4018802877       16.1042310017
  C        12.7922636472        9.4528825943       17.0467775519
  B        14.1426880419        9.9801130715       14.8052727396
  C        15.1658836661       11.1690077173       14.3590224815
  C        15.8298550673       11.9778302565       15.2972428315
  C        16.7191055602       12.9746291948       14.8777237346
  C        17.0721309673       13.1138643093       13.5308307375
  C        16.4762076323       12.2659852039       12.5857493327
  C        15.5208971700       11.3359805677       13.0082262581
  C        16.8117202866       12.3872484470       11.1122627031
  F        17.8012176042       13.2792273534       10.8600782114
  F        15.7397576173       12.8105637172       10.3485533306
  F        17.2325779937       11.1919017507       10.5658286838
  C        17.2453853200       13.9312197429       15.9080351472
  F        16.2479698924       14.6694285280       16.4971635691
  F        18.1460853131       14.8344952440       15.4065317949
  F        17.8440632201       13.2542462989       16.9451482667
  C        13.0820725773        9.6047614267       13.5802960621
  C        12.4743843780       10.6486192963       12.8486614251
  C        11.4816837531       10.4192126124       11.8780361984
  C        10.9894572712        9.1294407966       11.6775697612
  C        11.6070598855        8.0752672183       12.3493513191
  C        12.6608934300        8.2996999628       13.2425946876
  C        11.0251707817        6.6989925009       12.2191396740
  F        10.4936805794        6.4912788499       10.9864847578
  F        11.9217173959        5.6923268156       12.4632870043
  F        10.0085724886        6.4994105414       13.1278504342
  C        10.9131118096       11.5317999643       11.0331149918
  F         9.7424306042       11.1775699102       10.4137663996
  F        10.6292441667       12.6613097227       11.7384381717
  F        11.7576561241       11.8854601240       10.0053613385
  C        15.1925090219        8.7739238830       15.1027101696
  C        15.8904431629        8.6306586006       16.3217371254
  C        16.8149244714        7.5988358369       16.4795234455
  C        17.0971113457        6.7014639235       15.4458283859
  C        16.4713722940        6.8701526012       14.2117643898
  C        15.5520007088        7.9087106424       14.0534743766
  C        17.4930108917        7.2741851367       17.7726268660
  F        17.6166963781        8.3295378406       18.6278548824
  F        16.8049924326        6.3106467249       18.4750397144
  F        18.7640742691        6.7907280692       17.5379785358
  C        11.3769239931       13.4348383733       17.4379459456
  F        10.7784824050       13.6765492582       18.6322325447
  F        10.4772209449       13.7379927433       16.4310504434
  F        12.3992636247       14.3384561926       17.3071943446
  F        17.6292625849        4.9031774583       13.4917536505
  F        17.3753939200        6.5318356521       12.0270298347
  F        15.6573648945        5.2740205261       12.6140696909
  C        16.7810771233        5.9063753405       13.0943589844
  H        10.6176124030       11.2894224564       18.9596657896
  H        12.9500831814       12.4892503687       15.5683485116
  H        13.1683798363        8.4336684083       16.9930341158
  H        15.6633641602       11.8256608481       16.3656442287
  H        17.7905968713       13.8714609173       13.2436599207
  H        15.0191223973       10.7091318746       12.2736325007
  H        12.7787267312       11.6691072981       13.0738771571
  H        10.1034215250        8.9634410625       11.0686595264
  H        13.1208391515        7.4143278729       13.6770064782
  H        15.7284285953        9.3455912480       17.1311754325
  H        17.7980153788        5.9008094341       15.6250492952
  H        15.0850751974        8.0751620996       13.0841330865
  F         2.7269985962       18.6327540808       20.1550372663
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  F         1.3856630329       18.0383983539       18.4986589741
  F         3.3606266734       17.1240730084       18.6433269400
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  C         4.1328123684       19.0645845686       16.8852989516
  C         4.6671807266       20.0138879744       15.9872910125
  C         4.2559864736       21.3424789760       16.2004882502
  C         3.4661966141       21.6927360507       17.3037416665
  C         3.0041529558       20.7503822081       18.2159931781
  C         2.9341534689       23.0810312052       17.4340133562
  F         2.3014956586       23.2967273634       18.6240708122
  F         3.9065391282       24.0356866878       17.3050889932
  F         1.9953928220       23.2957731938       16.4334913998
  B         5.6098452313       19.6345286459       14.6851134795
  C         6.7046241723       18.4722204559       14.9865116302
  C         7.3390884104       18.3539337708       16.2321305725
  C         8.2732805757       17.3502048673       16.4723132198
  C         8.6278918532       16.4311162050       15.4811924423
  C         8.0608532992       16.5788094763       14.2120545440
  C         7.1509351315       17.6151266545       13.9628929998
  C         8.4218008213       15.6086574343       13.1167184480
  F         7.3129532613       15.0338719770       12.5420103722
  F         9.2123548049       14.5746039196       13.5638696873
  F         9.1079734155       16.2283044978       12.0992017475
  C         8.7989352314       17.1718435802       17.8548747983
  F         8.9164127192       18.3767281461       18.4905402796
  F        10.0198923636       16.5645505853       17.8950675346
  F         7.9593739982       16.4041156763       18.6329083322
  C         6.6338431501       20.8380266618       14.2878829536
  C         7.2081705866       21.6714126149       15.2628376023
  C         8.1890739590       22.6116905620       14.9281549795
  C         8.6434356540       22.7441954827       13.6127733922
  C         8.0677707280       21.9388236885       12.6274854701
  C         7.0994036969       20.9892240846       12.9719401030
  C         8.4080594036       22.1053004424       11.1704300870
  F         8.8236983048       20.9035098077       10.6307268791
  F         9.3784001655       23.0306828995       10.9306630724
  F         7.3267590529       22.5124169489       10.4176031472
  C         8.6880000379       23.5691329277       15.9697354283
  F         9.5979977040       24.4629721198       15.4780872130
  F         7.6881922979       24.3492347096       16.5037315093
  F         9.2761530475       22.8881187720       17.0167145837
  C         4.5767928608       19.2375864468       13.4699465546
  C         4.0875606293       17.9314514659       13.2732570329
  C         3.1262988868       17.6592165601       12.2951465999
  C         2.6169160260       18.6557001680       11.4612095615
  C         3.0422469075       19.9766482147       11.6762846576
  C         4.0162506235       20.2382266440       12.6440369562
  C         2.4068536495       21.0931315163       10.8809531602
  F         2.3723768070       20.7801771020        9.5363740778
  F         1.0973041316       21.3253564588       11.2581922376
  F         3.0383570453       22.3003606000       11.0002126675
  C         2.5192420527       16.2939627251       12.1894512449
  F         1.9333209663       16.0487077841       10.9872015987
  F         3.4308647091       15.3012746787       12.3989772119
  F         1.5250281939       16.1210442863       13.1303974751
  H         4.3485706896       18.0083800962       16.7500338065
  H         4.5407276891       22.1067947571       15.4774287005
  H         2.4057432374       21.1071157265       19.0510881030
  H         7.1067218002       19.0530829328       17.0363892894
  H         9.3314803623       15.6413691614       15.7092930189
  H         6.7681703004       17.7897784312       12.9566830459
  H         6.8423760247       21.6048450125       16.2871544682
  H         9.3921218660       23.4933055076       13.3806820148
  H         6.6751869825       20.3596944872       12.1927121457
  H         4.4644196242       17.0985167582       13.8712184271
  H         1.9453468925       18.3519111400       10.6653885567
  H         4.3823894757       21.2583085640       12.7430307419
  F        15.6308756001        1.2689268851       -0.3028691308
  C        15.6701415131        1.6402718911        1.0166097061
  F        16.9921828093        1.8961992117        1.3187562893
  F        15.0287054529        2.8349793222        1.1007041621
  C        15.0899532102        0.5879486833        1.9175878812
  C        14.3139757307        0.9515155453        3.0296647692
  C        13.7966021391       -0.0207345866        3.9166575236
  C        14.2274357131       -1.3398655270        3.7047360819
  C        14.9942861427       -1.7081624009        2.5898010080
  C        15.3852678833       -0.7526708724        1.6547756982
  C        15.4621998704       -3.1212524422        2.3966783939
  F        16.0441885765       -3.3146096750        1.1772845212
  F        14.4466696483       -4.0464229458        2.4989899886
  F        16.4113264020       -3.4520756423        3.3565355738
  B        12.8156424002        0.2417758237        5.2158799965
  C        11.7072615261        1.4181810772        4.9383658076
  C        11.1332664355        1.4843396483        3.6509688647
  C        10.1721338068        2.4583654296        3.3200115564
  C         9.7231006075        3.3519358751        4.2962800699
  C        10.2722025537        3.3012399895        5.5762687541
  C        11.2499598663        2.3419079796        5.8935288427
  C         9.9180959713        4.2963791978        6.6509516307
  F        11.0392503418        4.8775470419        7.1864630125
  F         9.1241204043        5.3297798423        6.2309464933
  F         9.2960428897        3.6784945435        7.7046220334
  C         9.6441635713        2.6954605578        1.9233388186
  F         9.5012871478        1.5262752436        1.2398476844
  F         8.4154239313        3.3314041877        1.9098079890
  F        10.4564918573        3.4950391199        1.1506883328
  C        11.8438507197       -1.0488986093        5.5654793147
  C        11.3412085426       -1.9488873042        4.6057673146
  C        10.3244741663       -2.8594509035        4.9181233386
  C         9.8233706388       -3.0013918838        6.2116544221
  C        10.3223885662       -2.1321873564        7.1831521032
  C        11.2914667637       -1.1783994387        6.8540115904
  C         9.9371647192       -2.2074702046        8.6319786491
  F         9.5880613460       -0.9815980184        9.1621107510
  F         8.8997000770       -3.0559144662        8.8738966868
  F        11.0115773001       -2.6161510702        9.3903389512
  C         9.7559469763       -3.7160712264        3.8375659093
  F         8.8123899447       -4.5755582794        4.3147503617
  F        10.7219830347       -4.4615295737        3.2200173913
  F         9.1422006832       -2.9684067183        2.8546342029
  C        13.8677199501        0.5747668523        6.4076242182
  C        14.3575790997        1.8768069821        6.6156046398
  C        15.3093319093        2.1796318257        7.6023236330
  C        15.7982998494        1.1721683306        8.4299103776
  C        15.3990216401       -0.1406821891        8.1573268855
  C        14.4689670860       -0.4427039660        7.1638317041
  C        16.0250293352       -1.2363612254        8.9448165083
  F        16.0456216727       -0.8840033288       10.2767418422
  F        17.3288790765       -1.4924269935        8.5823957258
  F        15.3736728083       -2.4222988598        8.8090341466
  C        15.8692070839        3.5746457157        7.6632901910
  F        16.4739013159        3.8606104912        8.8590901425
  F        14.9150022826        4.5277317489        7.4148212103
  F        16.8203492658        3.7826532813        6.6786547884
  H        14.1045692803        2.0113673397        3.1678365127
  H        13.8976462025       -2.0793717583        4.4315230601
  H        15.8958136199       -1.0705075682        0.7481745658
  H        11.5124279295        0.7549323580        2.9359507705
  H         8.9733710110        4.0791508050        4.0011748197
  H        11.6852742212        2.3647855535        6.8929760526
  H        11.7569851963       -1.9797803604        3.5987210074
  H         9.1267923194       -3.8101211171        6.4172314957
  H        11.6343997516       -0.5361825703        7.6611356831
  H        14.0017120889        2.6745043283        5.9708989162
  H        16.4877809737        1.3704233371        9.2489405679
  H        14.2342298189       -1.4917456503        6.9800511380
  H        10.6758599827       11.8579982607        4.7424226219
  H        11.8232520513       10.3270738574        3.4582258805
     646
 i =       44, E =         0.0600169569
 Rh         3.6052689357        0.2263063508        4.8263144619
  P         5.3705640049        0.6251214573        6.2706272586
  C         5.3064864556       -0.2676208633        7.8882181057
  C         4.7878920738       -1.7026526113        7.6746510174
  C         4.5026655913       -2.3891534806        9.0165697040
  C         5.6818711808       -2.2018708226        9.9860354442
  C         6.1995063510       -0.7659299456       10.1641060943
  C         6.5434262817       -0.1400691305        8.8053375326
  C         5.6508573644        2.3824516420        6.7629709017
  C         4.6757274896        2.7872497504        7.9000889209
  C         4.5896984274        4.3054592101        8.1473287532
  C         4.5224710366        5.1042749593        6.8460070759
  C         5.7495801149        4.7756742319        5.9962871055
  C         5.5857015104        3.3212358099        5.5393005561
  C         6.9721114410        0.0831793745        5.4697064152
  C         6.9084218870        0.2195935607        3.9488609891
  P         5.2849242440       -0.2469291340        3.2421685404
  C         5.4564757218       -2.0301858792        2.7154244577
  C         4.3047889722       -2.4484175081        1.7846876298
  C         4.3863620939       -3.9278339457        1.3961126483
  C         4.1989359614       -4.7656581789        2.6654670288
  C         5.3092184929       -4.4246775081        3.6724504973
  C         5.3789505465       -2.9108884347        3.9799564228
  C         5.2500757565        0.7398526637        1.6813448569
  C         4.9589146036        2.2478070636        1.9115520465
  C         4.4185262504        2.8218754945        0.5913312114
  C         5.4470611601        2.6046287301       -0.5274290293
  C         5.9354432908        1.1560709522       -0.6681527493
  C         6.4268092307        0.5928094785        0.6791972945
  C         1.8842989382        0.2983396773        3.4538058491
  C         1.8992681822       -0.9647083802        4.0482714240
  C         1.0480734132       -0.8692743793        5.3181354866
  C         1.8776355979        0.0740907446        6.2236454710
  C         1.8199016628        1.3398700610        5.6338593367
  C         0.9882657962        1.1812901407        4.3422458215
  C        -0.0428088796        0.1543368370        4.8927517612
  H         4.5020379103        0.2450020733        8.4384297798
  H         5.4951041049       -2.3295511157        7.1124183066
  H         3.8892214408       -1.6317909923        7.0392684447
  H         4.3710001509       -3.4648786512        8.8288045006
  H         3.5589686176       -2.0385809122        9.4572418100
  H         5.4372126267       -2.6327038170       10.9641812727
  H         6.5234575502       -2.7791933962        9.5820170695
  H         7.1089202902       -0.8039074270       10.7836411454
  H         5.4851806707       -0.1158035836       10.6941502196
  H         6.8287179946        0.9115499245        8.9533770916
  H         7.4318176552       -0.6439650849        8.4079731056
  H         6.6790613435        2.3827973210        7.1557063586
  H         4.9927217443        2.2885017098        8.8272710936
  H         3.6681106661        2.4078613662        7.6794204513
  H         5.4699300271        4.6368133160        8.7158685098
  H         3.7093752418        4.5309741245        8.7648157544
  H         4.4346765197        6.1740583904        7.0655406623
  H         3.6175137049        4.8270602696        6.2829303896
  H         6.6531044903        4.8846746036        6.6132139613
  H         5.8710974403        5.4617740553        5.1493489584
  H         6.3205625725        3.0249603975        4.7781713857
  H         4.5973265771        3.2317188079        5.0577059520
  H         7.8066100498        0.6901840692        5.8418010638
  H         7.1427326447       -0.9541332261        5.7905905736
  H         7.7017649683       -0.3187604557        3.4118721145
  H         6.9999988989        1.2806173486        3.6823004539
  H         6.4418768204       -2.1490651907        2.2321274928
  H         4.1749926702       -1.7966737864        0.9139749920
  H         3.3948047909       -2.3449815867        2.3870214911
  H         5.3474129726       -4.1441931901        0.9053736876
  H         3.6107792878       -4.1740060695        0.6610636919
  H         4.1624702229       -5.8371579399        2.4216119449
  H         3.2096581629       -4.5352714325        3.0900972715
  H         5.1909862870       -4.9615862470        4.6261272977
  H         6.2605591611       -4.7634155347        3.2380765262
  H         6.2182208205       -2.6921093782        4.6547027241
  H         4.4721492872       -2.5864446471        4.5192729246
  H         4.3749296128        0.2971033632        1.1815261894
  H         5.8867911573        2.7686745695        2.1983433189
  H         4.2539584030        2.4157829182        2.7396509110
  H         4.2258288470        3.9028461589        0.6437508967
  H         3.4491982424        2.3406419278        0.3925920858
  H         6.2948185360        3.2532245292       -0.2615664028
  H         5.0609815365        2.9644895021       -1.4900555713
  H         6.7114744893        1.0947568651       -1.4478584949
  H         5.1072555622        0.5166134704       -1.0105541501
  H         7.2988464897        1.1613946207        1.0224416714
  H         6.7597281996       -0.4450519832        0.5507170773
  H         2.2596324520        0.5644714347        2.4706662159
  H         2.2091628219       -1.9039674711        3.6007464049
  H         0.7481860557       -1.8222872115        5.7613965516
  H         2.0286747388       -0.0867689627        7.2873027092
  H         1.8806286690        2.2703637933        6.1948674399
  H         0.6181362181        2.0930128432        3.8670174036
  H        -0.5324801313        0.5573277879        5.7868316583
  H        -0.7895116637       -0.1977949776        4.1779723450
 Rh        14.7273471373       19.6634774916       14.9131162022
  P        12.8998908504       19.1999463183       13.4894890744
  C        13.0479944986       20.2091544488       11.9617685078
  C        13.4792455159       21.6572889060       12.2466003622
  C        13.8103298063       22.3228579885       10.9078575702
  C        12.6713653727       22.2204127728        9.8854659291
  C        12.2684869934       20.7617887752        9.6421952011
  C        11.8915985341       20.0647543939       10.9591075134
  C        12.6066788736       17.4747644053       12.8419471195
  C        13.6342512153       17.0445049959       11.7752778148
  C        13.5536147509       15.5308018695       11.5265291481
  C        13.7882465146       14.7466036879       12.8206261717
  C        12.6662915016       15.0600096895       13.8128342514
  C        12.6384842866       16.5693764412       14.0873258285
  C        11.2910131176       19.6578943016       14.3643191061
  C        11.4755931693       19.7389567367       15.8911977787
  P        13.1383713275       20.2063480773       16.5392155920
  C        12.9692404856       21.9974625466       16.9940778038
  C        13.9793057438       22.4898296853       18.0542173309
  C        14.0355644821       24.0340285341       18.1441865822
  C        14.0677815271       24.7530299131       16.7879430273
  C        12.9109883343       24.2640241402       15.9178190606
  C        13.1437954923       22.7732512588       15.6810649327
  C        13.2790337521       19.2311183359       18.1280762992
  C        13.5370283037       17.7443179737       17.8050517436
  C        14.0328343807       17.0132843089       19.0585337457
  C        13.0390994602       17.1489721106       20.2151613032
  C        12.5941040863       18.6019118345       20.4606566558
  C        12.1588520316       19.3720233228       19.1850505531
  C        16.3965607577       19.6623218632       16.3253919063
  C        16.4511103813       20.8534892375       15.5962277124
  C        17.3604056316       20.5788897097       14.3823750836
  C        16.5083389614       19.5753200336       13.5575838441
  C        16.4764518972       18.3978433818       14.3076521661
  C        17.2974993800       18.6591313192       15.5871102573
  C        18.3938069904       19.5927602153       14.9862741180
  H        13.9449561881       19.7664698209       11.4942552029
  H        12.7435203290       22.2387219166       12.8211344953
  H        14.3877764822       21.5977994263       12.8710953838
  H        14.1242604961       23.3644181980       11.0517483626
  H        14.6718775165       21.7733562969       10.5027630267
  H        13.0005143421       22.6625708185        8.9356398166
  H        11.7923913914       22.7913782794       10.2162762411
  H        11.4454344188       20.7214889918        8.9132835932
  H        13.1163044854       20.2249401219        9.1867616816
  H        11.6668112161       19.0046525113       10.7815008566
  H        10.9770536489       20.5054165165       11.3710544455
  H        11.6001327586       17.4388917209       12.3922356860
  H        13.4846280698       17.5786846067       10.8250489399
  H        14.6509861521       17.2911387763       12.1133377286
  H        12.5574696022       15.2764372206       11.1331069136
  H        14.2858631182       15.2533620615       10.7582345879
  H        13.8816450098       13.6723329171       12.6100449499
  H        14.7475459442       15.0448312718       13.2713756758
  H        11.7017627900       14.7039320797       13.4254499234
  H        12.8356662462       14.5610547778       14.7767781428
  H        11.7821159365       16.8359751482       14.7216936948
  H        13.5497585682       16.8183484921       14.6542096690
  H        10.5326392346       18.8825203740       14.1776918787
  H        10.8854578391       20.5820652964       13.9235117992
  H        10.7235363278       20.3725192496       16.3780804004
  H        11.3728671797       18.7231287223       16.2896773184
  H        11.9324740614       22.1626796126       17.3317765544
  H        13.7296359645       22.0956657449       19.0510363058
  H        14.9628905567       22.0667639790       17.8068915313
  H        13.1361560807       24.3757073703       18.6751209425
  H        14.8838400550       24.3553637186       18.7645174435
  H        14.0449694378       25.8379885026       16.9541464458
  H        14.9989246599       24.5502027298       16.2397036228
  H        12.8490126900       24.7904156914       14.9582635667
  H        11.9526540970       24.4119370043       16.4367997671
  H        12.4925214554       22.3633906756       14.9004106079
  H        14.1761371454       22.6220224180       15.3258959712
  H        14.1757937281       19.6484212423       18.6198566999
  H        12.5953538847       17.2961328078       17.4534169275
  H        14.2575736509       17.6536676352       16.9776000436
  H        14.2402265484       15.9504140798       18.8616142563
  H        14.9926302123       17.4589411472       19.3596352666
  H        12.1456463160       16.5324824846       20.0395131791
  H        13.5114032494       16.7464759913       21.1230906317
  H        11.7866460987       18.5630365052       21.2064010227
  H        13.4230704742       19.1746673931       20.9035164606
  H        11.1876874598       19.0149168147       18.8171432802
  H        12.0258541307       20.4332015347       19.4314221419
  H        15.9488796130       19.4931816304       17.2992377522
  H        16.1512084996       21.8449110105       15.9288482586
  H        17.7564125454       21.4544753065       13.8618831881
  H        16.3264141193       19.6535023967       12.4884085589
  H        16.2557007575       17.3909448829       13.9606155602
  H        17.5777201477       17.7728507893       16.1607013339
  H        18.9609138581       19.0893032672       14.1929508156
  H        19.0904037580       20.0650603395       15.6892272939
 Rh         6.0093860331       10.0718537368       14.9981908020
  P         4.1854059405        9.5529091308       13.6575916444
  C         3.6279316621        7.8367842427       13.1142203276
  C         3.5761600953        6.8725852868       14.3138291099
  C         3.6283055248        5.3992606183       13.8754569907
  C         4.8523085251        5.0949556268       13.0090071235
  C         4.7419704927        5.8874320865       11.7072152062
  C         4.6180101464        7.3889050888       12.0221661026
  C         2.6187055156       10.2006656514       14.4062166592
  C         2.6624956843       10.1164478307       15.9312353562
  P         4.3750139242       10.6203351155       16.4961062522
  C         4.1569901511       12.3812691231       17.0127155020
  C         3.9593147010       13.2849914571       15.7707272458
  C         4.0460278221       14.7770258195       16.1231258683
  C         5.3622008860       15.0392706042       16.8742576604
  C         5.4058853811       14.2760165731       18.2028723162
  C         5.2996646002       12.7651294279       17.9809997671
  C         4.6690834150        9.7088590938       18.0553506802
  C         5.0087415770        8.2323404057       17.8113284833
  C         5.2679000205        7.5185552343       19.1396074832
  C         4.0219974751        7.6016026969       20.0337638784
  C         3.4405769603        9.8160249978       18.9559821205
  C         3.6793801401        9.0819430907       20.2785276339
  C         4.4221630697       10.5311714005       12.1005261864
  C         4.7295492399       12.0241937420       12.3619940779
  C         4.9451522901       12.7872136680       11.0371510657
  C         3.8356503471       12.5538521761        9.9988565345
  C         3.4914876354       11.0706619909        9.8304414856
  C         3.2304408024       10.3445292314       11.1554419815
  C         7.9306786744       11.2249015472       15.5653507121
  C         7.6120270552        8.6824221485       14.3652696781
  C         8.5358287868        8.9365094914       15.5724333772
  C         9.6661006655        9.7628197639       14.8895628232
  C         8.6794731710       10.7926743306       14.2871361523
  C         7.8058713611       10.0656483870       16.3377600107
  C         7.6873728118        9.8455060073       13.5842893181
  H         2.5989422033        7.9585730097       12.7294439318
  H         4.4349421343        7.0767496935       14.9685655520
  H         2.6697996758        7.0602390154       14.9100175351
  H         2.7391006200        5.1337528409       13.2871458419
  H         3.6121796787        4.7770284016       14.7757201666
  H         5.7838873154        5.3818336653       13.5206088656
  H         4.9264454890        4.0119887692       12.8342882119
  H         5.6357830396        5.7466131143       11.0818893553
  H         3.8944947298        5.5321814898       11.1036859419
  H         4.3901506020        7.9391753466       11.1063416974
  H         5.6031782941        7.7330147144       12.3637980033
  H         2.5153946876       11.2468794231       14.0951234943
  H         1.7780924554        9.6361214032       13.9843180665
  H         1.9073509927       10.7780739339       16.3798642846
  H         2.4295715846        9.0998273358       16.2812814653
  H         3.2044354071       12.4240011090       17.5612226590
  H         4.6913598570       13.0563985454       14.9818619279
  H         2.9672850198       13.0538331635       15.3555898010
  H         3.9351490107       15.3728524298       15.2018752277
  H         3.1846317090       15.0539606190       16.7472333362
  H         5.5586075056       16.1042502530       17.0539721096
  H         6.2110995574       14.6820749697       16.2700648259
  H         6.3494641871       14.5051714457       18.7143205239
  H         4.6053508926       14.6054483135       18.8795115820
  H         6.2649145415       12.3846652878       17.6152638667
  H         5.1343096900       12.2556210975       18.9429122653
  H         5.5168914396       10.2167506755       18.5441404833
  H         5.8489068844        8.1030914449       17.1127472089
  H         4.1264310176        7.7712263090       17.3467348911
  H         6.0973491592        8.0138991634       19.6670118204
  H         5.5973629986        6.4893875459       18.9392703305
  H         4.2011887296        7.0860948649       20.9856710901
  H         3.1606193013        7.1007828534       19.5658218210
  H         3.1658582807       10.8712288962       19.0870215638
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  F         7.3473281124       10.8296745582       -0.2714967019
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  C         7.1438947696        8.8865775231        1.7618370234
  C         6.4981727168        7.8733273361        2.4670559457
  C         5.5111063315        8.1856403145        3.4159464787
  C         5.1351631474        9.5085403287        3.7247644407
  C         5.7043670670       10.5033780299        2.8982625719
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  F         2.6992275513        7.1612690550        9.5431715805
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  F         0.1883824115        5.0680910924        4.3303617396
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  F         7.4345624731        7.0970329176        7.7842944144
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  C         1.8227680701       13.0251634401        5.5486607345
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  C         1.1103616593       12.3809479465        1.9195847580
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  F        11.2114654523        9.0185976548       20.2136595007
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  C        11.8447287297       12.0197922083       17.3250408410
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  C        13.2272615233       10.4020517931       16.1010146088
  C        12.7933432059        9.4470207323       17.0439959465
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  C        15.8281040982       11.9787766549       15.2930329843
  C        16.7202772941       12.9761980779       14.8755460726
  C        17.0718869493       13.1150708669       13.5290352412
  C        16.4779392612       12.2687364496       12.5854365698
  C        15.5206165874       11.3354966893       13.0047721953
  C        16.8128562788       12.3871360773       11.1117127714
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  F        15.7404221170       12.8102606119       10.3486192674
  F        17.2326996899       11.1918087114       10.5655538602
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  F        18.1460326488       14.8339443860       15.4068628725
  F        17.8440010987       13.2539525442       16.9452841970
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  C        12.4712395815       10.6498152655       12.8481689593
  C        11.4804977876       10.4197000344       11.8812379695
  C        10.9877041959        9.1279195566       11.6767552614
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  C        12.6571779740        8.3019188218       13.2455274884
  C        11.0251691471        6.6987282680       12.2204527552
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  F        11.9219907960        5.6920232404       12.4635658847
  F        10.0082835973        6.4990543598       13.1284960123
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  F        10.6288465793       12.6612736633       11.7390234463
  F        11.7594923438       11.8858575638       10.0127529228
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  C        15.8886004018        8.6303790312       16.3197063019
  C        16.8183683956        7.5932309418       16.4795981051
  C        17.0948488849        6.7023374053       15.4434968724
  C        16.4748354435        6.8653077551       14.2163633463
  C        15.5507615181        7.9087293643       14.0498999778
  C        17.4915927062        7.2741578496       17.7743180510
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  F        16.8001698533        6.3142476369       18.4783461224
  F        18.7630575080        6.7899737890       17.5389118021
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  F        10.4771990275       13.7378460216       16.4310892366
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  F        17.3752267029        6.5314256950       12.0275735852
  F        15.6574565939        5.2733952774       12.6139912974
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  H        10.6214629206       11.2893734447       18.9595628543
  H        12.9568029500       12.4890616185       15.5680619705
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  H        17.7998487966        5.8951040038       15.6214435779
  H        15.0889407123        8.0703385559       13.0819116724
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  C         4.1351055257       19.0608937706       16.8845719757
  C         4.6672968007       20.0146593893       15.9867587259
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  C         3.0022891174       20.7451464367       18.2153210824
  C         2.9327180501       23.0797816091       17.4329701018
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  F         3.9062298987       24.0346528404       17.3048022283
  F         1.9950296007       23.2953818360       16.4322501690
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  C         7.3338277440       18.3532016682       16.2340362212
  C         8.2736067244       17.3441973939       16.4702236009
  C         8.6264340333       16.4324863581       15.4813541152
  C         8.0649882540       16.5766127332       14.2125494449
  C         7.1489356023       17.6135973541       13.9643713845
  C         8.4228996317       15.6091100638       13.1159424966
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  F         9.2128935144       14.5744424206       13.5634768622
  F         9.1086322338       16.2288164699       12.0990537264
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  F        10.0185039075       16.5643218935       17.8948958830
  F         7.9564219379       16.3998731481       18.6297179024
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  C         8.1860567029       22.6163661582       14.9257554212
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  C         7.0981348169       20.9915572387       12.9707863652
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  F         9.3795196411       23.0306286176       10.9306540433
  F         7.3279728100       22.5127046275       10.4168643238
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  F         7.6886150466       24.3509116492       16.5038601054
  F         9.2758049609       22.8880266742       17.0156604998
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  C         4.0879626940       17.9335369086       13.2757109067
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  C         3.0418640111       19.9752307098       11.6740336621
  C         4.0174974182       20.2415830869       12.6474643348
  C         2.4090808220       21.0925543067       10.8800288484
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  F         1.0990430404       21.3243303932       11.2563886610
  F         3.0392574613       22.2990891049       10.9997777950
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  F         1.9334961281       16.0489653420       10.9868034453
  F         3.4309345184       15.3016255821       12.3987752934
  F         1.5251859946       16.1211557801       13.1300078756
  H         4.3520420088       18.0064432668       16.7458956330
  H         4.5417131800       22.1081083903       15.4815322818
  H         2.4036082201       21.0951120903       19.0525696636
  H         7.1028712933       19.0507393690       17.0351973217
  H         9.3324117360       15.6372560656       15.7068452718
  H         6.7680188604       17.7802481614       12.9574989754
  H         6.8471018817       21.6069030035       16.2877536839
  H         9.3922468062       23.4940538159       13.3757150280
  H         6.6765879814       20.3610220439       12.1909469217
  H         4.4636737520       17.1031473355       13.8728583112
  H         1.9380258033       18.3626849649       10.6658468380
  H         4.3784717043       21.2607405389       12.7461211200
  F        15.6236037011        1.2685199021       -0.3010964983
  C        15.6688708869        1.6397033246        1.0179129879
  F        16.9919597533        1.8955450287        1.3178638298
  F        15.0314287075        2.8359121215        1.1015770380
  C        15.0863655446        0.5892493476        1.9203482800
  C        14.3100288262        0.9494406100        3.0289092148
  C        13.7922494282       -0.0241219440        3.9153615551
  C        14.2259869724       -1.3429055735        3.7001363045
  C        14.9928475556       -1.7092935513        2.5895725736
  C        15.3867060746       -0.7522949025        1.6536743650
  C        15.4614517155       -3.1221225051        2.3969349204
  F        16.0442192976       -3.3152954396        1.1782487532
  F        14.4449741578       -4.0463841767        2.4986755202
  F        16.4099342602       -3.4522317434        3.3586379477
  B        12.8147680822        0.2418595908        5.2137838157
  C        11.7104058090        1.4208199977        4.9336312356
  C        11.1325825026        1.4908255590        3.6475310617
  C        10.1728555445        2.4617655531        3.3214353311
  C         9.7225567102        3.3587652758        4.2968946334
  C        10.2762691836        3.3026066542        5.5772924752
  C        11.2521480569        2.3444394889        5.8897515745
  C         9.9187852113        4.2963985462        6.6511362346
  F        11.0393630217        4.8778407469        7.1868189281
  F         9.1240731563        5.3290952277        6.2310628366
  F         9.2966910681        3.6779485972        7.7044845006
  C         9.6445381174        2.6955510315        1.9262418118
  F         9.5008064434        1.5264535249        1.2407286792
  F         8.4165404198        3.3313720833        1.9094532906
  F        10.4637762773        3.4905896087        1.1622948731
  C        11.8435016763       -1.0466781442        5.5652975833
  C        11.3398938550       -1.9474280199        4.6065611720
  C        10.3260727946       -2.8586332649        4.9199252000
  C         9.8243020331       -2.9998075378        6.2146740194
  C        10.3259298800       -2.1292349416        7.1852494311
  C        11.2933789400       -1.1767622799        6.8550598180
  C         9.9379974366       -2.2067790553        8.6325562913
  F         9.5879472321       -0.9812280930        9.1623269542
  F         8.8999343324       -3.0558246133        8.8738824823
  F        11.0117631833       -2.6162385650        9.3910865424
  C         9.7574435083       -3.7161520784        3.8405159802
  F         8.8144321731       -4.5756236784        4.3177827166
  F        10.7229168657       -4.4610091686        3.2209206935
  F         9.1428170204       -2.9692284774        2.8560333787
  C        13.8671528514        0.5782750973        6.4051366806
  C        14.3580905094        1.8766801304        6.6154229544
  C        15.3086202748        2.1810166979        7.5975809097
  C        15.8029691272        1.1706267450        8.4287632224
  C        15.3998851144       -0.1403537921        8.1554665596
  C        14.4698920005       -0.4415804684        7.1650584592
  C        16.0252196144       -1.2365757777        8.9451378742
  F        16.0458696103       -0.8848500812       10.2774169654
  F        17.3291007455       -1.4925013019        8.5824603701
  F        15.3734760202       -2.4224817195        8.8092933549
  C        15.8697559538        3.5740975422        7.6633222579
  F        16.4737112937        3.8606298661        8.8591686195
  F        14.9151717767        4.5272856253        7.4149327679
  F        16.8204544530        3.7826773195        6.6787519815
  H        14.1013191163        2.0102006024        3.1716931042
  H        13.9041936013       -2.0868490273        4.4275278189
  H        15.9008095670       -1.0641608148        0.7507719434
  H        11.5034846188        0.7609183368        2.9262360596
  H         8.9735544270        4.0855433874        4.0104576564
  H        11.6847362553        2.3619616128        6.8913266786
  H        11.7529778707       -1.9732697461        3.5977086060
  H         9.1233709940       -3.8016221090        6.4247991510
  H        11.6370135186       -0.5306532802        7.6596671797
  H        13.9997154703        2.6787472281        5.9712170903
  H        16.4891595887        1.3742090530        9.2449698454
  H        14.2300271963       -1.4879980023        6.9806486978
  H        10.6782790357       11.8569222917        4.7480344705
  H        11.8164960195       10.3172590826        3.4455583348
     646
 i =       45, E =         0.0495191715
 Rh         3.6063952647        0.2244278170        4.8264923903
  P         5.3725193400        0.6258709786        6.2710126009
  C         5.3030943518       -0.2670360688        7.8878262201
  C         4.7896694399       -1.7035246546        7.6754425844
  C         4.5050519604       -2.3901130989        9.0175425415
  C         5.6837532913       -2.2057694982        9.9879992915
  C         6.1996233228       -0.7687267197       10.1633414128
  C         6.5402699086       -0.1415827580        8.8034795107
  C         5.6527515486        2.3839014839        6.7640265876
  C         4.6754290649        2.7885834750        7.8988030619
  C         4.5893541709        4.3064262222        8.1480921508
  C         4.5225084724        5.1069209981        6.8474103142
  C         5.7483120119        4.7759161424        5.9959052374
  C         5.5866002376        3.3210825995        5.5398849509
  C         6.9745858853        0.0848063551        5.4718504451
  C         6.9116123557        0.2216397490        3.9503034336
  P         5.2853919261       -0.2462360343        3.2438554829
  C         5.4543115354       -2.0295820823        2.7176271051
  C         4.3039874731       -2.4464266495        1.7845228649
  C         4.3856317926       -3.9263914730        1.3978594499
  C         4.2001719631       -4.7646428378        2.6664734122
  C         5.3107870882       -4.4244402414        3.6722216910
  C         5.3793891426       -2.9121913185        3.9813263585
  C         5.2458507977        0.7389504871        1.6813594606
  C         4.9568474427        2.2458247535        1.9111569253
  C         4.4192836004        2.8227214920        0.5913123112
  C         5.4476508757        2.6065921487       -0.5283063578
  C         5.9330626316        1.1561516998       -0.6672670957
  C         6.4220764120        0.5917651385        0.6806875120
  C         1.8829847032        0.2989920510        3.4544263539
  C         1.8986832193       -0.9624766479        4.0494661413
  C         1.0478154585       -0.8673800688        5.3198319705
  C         1.8791067357        0.0745726569        6.2246817821
  C         1.8232668131        1.3387184558        5.6337623416
  C         0.9884559724        1.1825739829        4.3439271585
  C        -0.0429982260        0.1548229721        4.8924323410
  H         4.4971182841        0.2483316366        8.4332875728
  H         5.5014213111       -2.3238591510        7.1117740914
  H         3.8889685623       -1.6377770588        7.0429140441
  H         4.3672930441       -3.4656415621        8.8326912689
  H         3.5620463432       -2.0335480624        9.4548535404
  H         5.4370189348       -2.6363986972       10.9662150651
  H         6.5252141333       -2.7846675167        9.5861570136
  H         7.1086479787       -0.8016549174       10.7838215940
  H         5.4808615032       -0.1224784287       10.6921070792
  H         6.8268067914        0.9099267599        8.9486546569
  H         7.4265228571       -0.6444048627        8.3992464162
  H         6.6809086773        2.3906956153        7.1570286830
  H         4.9895984079        2.2903191479        8.8269081150
  H         3.6685350831        2.4079427177        7.6764809483
  H         5.4697315110        4.6374442918        8.7167556082
  H         3.7101864787        4.5273583542        8.7691162873
  H         4.4365356900        6.1772536610        7.0666059659
  H         3.6175893401        4.8310738444        6.2838469050
  H         6.6537832715        4.8849602947        6.6100766206
  H         5.8679136687        5.4591999394        5.1465246738
  H         6.3247132009        3.0269414794        4.7808981876
  H         4.5994143656        3.2268444103        5.0571144304
  H         7.8088140406        0.6889294071        5.8502801105
  H         7.1441028897       -0.9539176182        5.7887936900
  H         7.7061647674       -0.3189708899        3.4175529855
  H         7.0054038038        1.2820073768        3.6812811490
  H         6.4376906416       -2.1479788216        2.2302854163
  H         4.1820252986       -1.7965509380        0.9114346485
  H         3.3888664250       -2.3396564604        2.3787495179
  H         5.3471368389       -4.1452982128        0.9096914099
  H         3.6083968374       -4.1693059687        0.6634125554
  H         4.1680515347       -5.8364860481        2.4248946823
  H         3.2108210482       -4.5352584726        3.0914924589
  H         5.1886711007       -4.9633804369        4.6240886102
  H         6.2645491374       -4.7610810472        3.2416430909
  H         6.2205328280       -2.6962429988        4.6543256506
  H         4.4722797256       -2.5931270391        4.5229384491
  H         4.3689716692        0.3021432086        1.1791325144
  H         5.8853475513        2.7657351902        2.1969985407
  H         4.2510056564        2.4112029711        2.7387633627
  H         4.2227693081        3.9023658899        0.6529080769
  H         3.4515566987        2.3408221231        0.3856387936
  H         6.3003482582        3.2514660724       -0.2693508698
  H         5.0598344286        2.9669739931       -1.4902681448
  H         6.7139537103        1.0948095401       -1.4414892406
  H         5.1049868612        0.5182015311       -1.0136111567
  H         7.2943411440        1.1596497444        1.0249782391
  H         6.7555648490       -0.4460548860        0.5545979847
  H         2.2508243278        0.5641702956        2.4671597490
  H         2.2079877023       -1.9027943907        3.6026554043
  H         0.7469802056       -1.8201779046        5.7622966637
  H         2.0354613348       -0.0918281715        7.2873138491
  H         1.8932710744        2.2733130637        6.1882984684
  H         0.6181587648        2.0953920206        3.8710723458
  H        -0.5399632940        0.5568730723        5.7831266007
  H        -0.7846558698       -0.2010694576        4.1742685846
 Rh        14.7266952726       19.6627075961       14.9150084286
  P        12.9018342437       19.1994313906       13.4914913016
  C        13.0497158379       20.2078843404       11.9624743851
  C        13.4804471860       21.6565434037       12.2445205141
  C        13.8125430917       22.3236541556       10.9060184505
  C        12.6726845311       22.2219604553        9.8839576272
  C        12.2685986697       20.7629632788        9.6430482543
  C        11.8925691760       20.0664231801       10.9607186667
  C        12.6074604297       17.4739985616       12.8454104408
  C        13.6351134652       17.0438481886       11.7777940972
  C        13.5555994048       15.5302567503       11.5258749010
  C        13.7887403571       14.7464382316       12.8206124475
  C        12.6672300373       15.0601651909       13.8137025861
  C        12.6379599905       16.5687457036       14.0912057209
  C        11.2929724229       19.6559436463       14.3652306990
  C        11.4713792278       19.7351244002       15.8929317305
  P        13.1361543433       20.2044024966       16.5384323615
  C        12.9701980150       21.9962831053       16.9930369223
  C        13.9797712289       22.4890909003       18.0532493805
  C        14.0342481095       24.0327876369       18.1444759303
  C        14.0684388994       24.7526102784       16.7887179313
  C        12.9122026781       24.2651213358       15.9165742804
  C        13.1413024993       22.7737118044       15.6797425164
  C        13.2805101359       19.2311160740       18.1263782032
  C        13.5375133690       17.7441527829       17.8048935360
  C        14.0335287761       17.0145455334       19.0592344218
  C        13.0383112148       17.1493946863       20.2159596593
  C        12.5947621223       18.6031702279       20.4610597655
  C        12.1619959091       19.3720750547       19.1844741991
  C        16.3973482767       19.6607044312       16.3277104160
  C        16.4509036559       20.8540764677       15.5960520256
  C        17.3591747158       20.5778587703       14.3820674718
  C        16.5068570491       19.5764053388       13.5564582162
  C        16.4742419785       18.3955919759       14.3072593097
  C        17.2966383267       18.6583321035       15.5856541874
  C        18.3925311555       19.5920288600       14.9867626991
  H        13.9434575339       19.7597802864       11.4942269182
  H        12.7392527409       22.2341092974       12.8161163233
  H        14.3860475953       21.6039873526       12.8736009085
  H        14.1248542838       23.3653907419       11.0515796555
  H        14.6771577905       21.7791609095       10.4996940276
  H        12.9999978956       22.6673022974        8.9346142599
  H        11.7943866670       22.7926790803       10.2168846604
  H        11.4423448829       20.7180980820        8.9181418159
  H        13.1157999141       20.2255336812        9.1870945646
  H        11.6675972226       19.0068409651       10.7813167620
  H        10.9775183179       20.5069346334       11.3722766635
  H        11.6014013687       17.4410624458       12.3941254346
  H        13.4826982464       17.5806244396       10.8297300341
  H        14.6522300804       17.2921820535       12.1139764281
  H        12.5601210419       15.2757899958       11.1313314763
  H        14.2870317718       15.2520525263       10.7563317490
  H        13.8776351137       13.6715729464       12.6115685004
  H        14.7492583867       15.0438843165       13.2694633232
  H        11.7027869993       14.7049362263       13.4253248247
  H        12.8343569218       14.5577153764       14.7762361385
  H        11.7821134024       16.8325995071       14.7278731921
  H        13.5489647405       16.8192870736       14.6579138101
  H        10.5347400243       18.8829201257       14.1693289637
  H        10.8922934233       20.5831590634       13.9274019286
  H        10.7176202284       20.3698466809       16.3763908211
  H        11.3638394008       18.7202443992       16.2930049574
  H        11.9351300318       22.1589581506       17.3370338740
  H        13.7289646663       22.0934105083       19.0492314323
  H        14.9667203540       22.0730447557       17.8078436659
  H        13.1350759852       24.3744828206       18.6756830913
  H        14.8849338427       24.3492156851       18.7637334909
  H        14.0438709533       25.8374979184       16.9535720861
  H        15.0030704315       24.5516087079       16.2451118848
  H        12.8505035860       24.7940951938       14.9581482639
  H        11.9529703875       24.4143668955       16.4335638962
  H        12.4876220151       22.3652620116       14.9004650991
  H        14.1725721904       22.6218716708       15.3214688937
  H        14.1800401646       19.6470022128       18.6135028814
  H        12.5970758107       17.2932473077       17.4533358567
  H        14.2586505119       17.6525956292       16.9778810871
  H        14.2385635814       15.9523307589       18.8572707096
  H        14.9943949653       17.4583669071       19.3596584088
  H        12.1474207095       16.5309129577       20.0351210370
  H        13.5068591110       16.7475247609       21.1263159456
  H        11.7848197314       18.5737755688       21.2045930626
  H        13.4246241596       19.1718812603       20.9079980458
  H        11.1927221153       19.0120218328       18.8144880434
  H        12.0237655985       20.4320301549       19.4328137188
  H        15.9619447477       19.4964667133       17.3058154473
  H        16.1532383389       21.8442422976       15.9284448450
  H        17.7518045029       21.4542804330       13.8595127856
  H        16.3238674750       19.6558863568       12.4896363480
  H        16.2501862096       17.3927330154       13.9580415073
  H        17.5816982185       17.7725933389       16.1590034818
  H        18.9631044793       19.0888269829       14.1957616755
  H        19.0845937262       20.0616796247       15.6954497597
 Rh         6.0096707701       10.0733444652       14.9976391495
  P         4.1843088333        9.5543911108       13.6571717933
  C         3.6338189408        7.8371458185       13.1140801235
  C         3.5790846242        6.8723966072       14.3147911129
  C         3.6282651307        5.3985766855       13.8771469357
  C         4.8522521314        5.0953245979       13.0101710399
  C         4.7425351359        5.8885325595       11.7089379252
  C         4.6236337296        7.3900755019       12.0212712625
  C         2.6165716630       10.2021344062       14.4050337914
  C         2.6637211067       10.1183918290       15.9301137788
  P         4.3744751396       10.6208559883       16.4972328997
  C         4.1552552779       12.3811061734       17.0143815096
  C         3.9593452124       13.2844893631       15.7727581632
  C         4.0469910398       14.7758701443       16.1262636143
  C         5.3631504850       15.0398971986       16.8739417949
  C         5.4068020827       14.2765495322       18.2013846605
  C         5.2996736466       12.7662245794       17.9790062051
  C         4.6661019266        9.7071657600       18.0564558742
  C         5.0066653501        8.2305494716       17.8107180584
  C         5.2672321160        7.5180159540       19.1403433018
  C         4.0228294395        7.6019138402       20.0366622894
  C         3.4388911723        9.8149517342       18.9598064001
  C         3.6775324268        9.0810815604       20.2823586359
  C         4.4202334033       10.5308198570       12.0995900323
  C         4.7281344795       12.0234019021       12.3604846957
  C         4.9462042963       12.7866255615       11.0368229118
  C         3.8359438501       12.5545898729        9.9990070441
  C         3.4931480611       11.0709184087        9.8287768982
  C         3.2297918264       10.3456537082       11.1533541472
  C         7.9272827656       11.2165557685       15.5654750987
  C         7.6120475154        8.6885873895       14.3634669161
  C         8.5353408897        8.9354898589       15.5728636751
  C         9.6656506483        9.7621867587       14.8900813394
  C         8.6795776732       10.7937923855       14.2859580001
  C         7.8066942918       10.0680772291       16.3334958196
  C         7.6880520223        9.8430806352       13.5856250017
  H         2.6068489657        7.9570352748       12.7239662807
  H         4.4365132845        7.0741431158       14.9721863029
  H         2.6723271705        7.0604883749       14.9104405447
  H         2.7368213966        5.1355916273       13.2913070609
  H         3.6114367278        4.7751676312       14.7768713218
  H         5.7825983501        5.3804776577       13.5250931481
  H         4.9276670727        4.0135570196       12.8298232633
  H         5.6347747622        5.7466117985       11.0820245088
  H         3.8924552472        5.5338491435       11.1086390795
  H         4.3965652024        7.9384099158       11.1036212930
  H         5.6112724528        7.7312572897       12.3583904611
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  F        11.2122225713        9.0176496578       20.2199364874
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  C        12.7910183728        9.4474350748       17.0425982961
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  C        15.8274993994       11.9816115845       15.2890433226
  C        16.7199722144       12.9765790818       14.8741825384
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  C        16.4774523173       12.2684688605       12.5836802995
  C        15.5223936151       11.3371143358       13.0023838525
  C        16.8138562661       12.3877256483       11.1113717648
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  F        15.7407654552       12.8102660690       10.3484802896
  F        17.2327577704       11.1916792242       10.5654056041
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  F        18.1461997094       14.8338505865       15.4069986710
  F        17.8438922193       13.2538439253       16.9451329289
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  C        12.4703753108       10.6519617605       12.8497693092
  C        11.4761760876       10.4175750396       11.8820358846
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  C        11.6053150463        8.0745691781       12.3549084606
  C        12.6564040121        8.3035601007       13.2511153455
  C        11.0255769776        6.6982998551       12.2219998271
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  F        11.9220601801        5.6917083582       12.4637234579
  F        10.0080082436        6.4988757677       13.1288759788
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  F        10.6279319353       12.6614874562       11.7398205243
  F        11.7623271613       11.8866927837       10.0244629615
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  C        15.8915338078        8.6241864692       16.3187837245
  C        16.8156222306        7.5949928567       16.4798477976
  C        17.1005460937        6.6955349664       15.4466628922
  C        16.4706368347        6.8662180086       14.2125087874
  C        15.5548103197        7.9043065387       14.0509882118
  C        17.4908529080        7.2736003568       17.7755663373
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  F        16.7958359038        6.3167380092       18.4797044976
  F        18.7620407863        6.7894678221       17.5402382123
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  F        10.4772273496       13.7377142467       16.4309537782
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  H        12.9633641721       12.4877130785       15.5682522179
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  H        17.7986867359        5.8928316919       15.6173270782
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  F         3.3615507474       17.1238354813       18.6425418422
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  C         4.6675599062       20.0124859458       15.9868476638
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  C         3.0011597329       20.7430556621       18.2131020785
  C         2.9314828603       23.0788533925       17.4321001215
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  F         3.9058514272       24.0338174159       17.3046055039
  F         1.9943154554       23.2953316929       16.4316402315
  B         5.6091068395       19.6351370618       14.6854849329
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  C         7.3323646350       18.3467378065       16.2327246234
  C         8.2688070269       17.3463379562       16.4717460438
  C         8.6301211866       16.4270123910       15.4803673886
  C         8.0646402901       16.5780015004       14.2113389994
  C         7.1499526121       17.6079868725       13.9649575106
  C         8.4241185257       15.6086963024       13.1159343159
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  F         9.2132074484       14.5741068686       13.5632094908
  F         9.1087774843       16.2289631961       12.0988131070
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  F        10.0175257661       16.5642044441       17.8949859943
  F         7.9552628514       16.3938226714       18.6278918796
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  C         7.2038108709       21.6799514984       15.2590657258
  C         8.1837289915       22.6213901135       14.9230748368
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  C         8.0665364906       21.9417056723       12.6253476826
  C         7.0965478934       20.9936568032       12.9700339661
  C         8.4102101017       22.1047862183       11.1691380833
  F         8.8242677590       20.9017242420       10.6307893901
  F         9.3801291841       23.0303946471       10.9304631631
  F         7.3283150642       22.5127208444       10.4165523071
  C         8.6870655381       23.5723423607       15.9678871902
  F         9.5989724835       24.4638845603       15.4777077123
  F         7.6888318289       24.3523327701       16.5038737608
  F         9.2753659281       22.8881056753       17.0146073206
  C         4.5731523732       19.2417585105       13.4731802218
  C         4.0840167330       17.9360131952       13.2732074750
  C         3.1245794940       17.6612782354       12.2947495810
  C         2.6142777782       18.6601230424       11.4614772245
  C         3.0464194058       19.9788664735       11.6763758321
  C         4.0144768522       20.2426497761       12.6467905849
  C         2.4100294602       21.0915922718       10.8792055714
  F         2.3722845631       20.7797269886        9.5351664070
  F         1.1003942153       21.3237455570       11.2560341689
  F         3.0403236057       22.2978799620       10.9994899870
  C         2.5188359493       16.2949252287       12.1883841702
  F         1.9334275204       16.0488378885       10.9863781535
  F         3.4309710173       15.3022992999       12.3986765449
  F         1.5252134520       16.1211524664       13.1299326811
  H         4.3556937929       18.0039975360       16.7417875204
  H         4.5424918903       22.1085815272       15.4860678574
  H         2.4011809306       21.0833279641       19.0538893914
  H         7.0984101620       19.0493366851       17.0355683132
  H         9.3314352078       15.6356275175       15.7041657719
  H         6.7671122079       17.7711427855       12.9575228216
  H         6.8516469509       21.6091571377       16.2879737264
  H         9.3923939927       23.4952154046       13.3707237620
  H         6.6778709437       20.3622892358       12.1891377405
  H         4.4633198791       17.1065706468       13.8752467997
  H         1.9329518272       18.3739310203       10.6690643468
  H         4.3752327598       21.2647663485       12.7495308776
  F        15.6197193743        1.2689965270       -0.2995168306
  C        15.6673856951        1.6398571694        1.0198493319
  F        16.9916942851        1.8946144303        1.3174583244
  F        15.0341166523        2.8372678573        1.1028353270
  C        15.0853082045        0.5880330289        1.9203199232
  C        14.3045290702        0.9484161638        3.0304472044
  C        13.7889146716       -0.0280867531        3.9133540762
  C        14.2229803989       -1.3456487514        3.6987090864
  C        14.9936470788       -1.7097272626        2.5855162647
  C        15.3859455880       -0.7505902293        1.6562953257
  C        15.4607948190       -3.1228243137        2.3972939288
  F        16.0443821843       -3.3155948251        1.1788037009
  F        14.4443396951       -4.0467559716        2.4983645516
  F        16.4087903020       -3.4523065911        3.3599246302
  B        12.8139734964        0.2423171952        5.2118158091
  C        11.7127772936        1.4239495344        4.9288007250
  C        11.1339433371        1.4946968516        3.6444389212
  C        10.1701772697        2.4678305512        3.3236852428
  C         9.7253061072        3.3625160579        4.2995362066
  C        10.2777899075        3.3058135460        5.5756504195
  C        11.2561851466        2.3451411936        5.8871301944
  C         9.9202244896        4.2963878983        6.6519478999
  F        11.0399986157        4.8782060480        7.1872291852
  F         9.1242382853        5.3285319035        6.2310797920
  F         9.2966159009        3.6779445826        7.7043168196
  C         9.6442429336        2.6944573811        1.9298759374
  F         9.5002843333        1.5269485939        1.2412246893
  F         8.4173044528        3.3318541528        1.9092822806
  F        10.4700527618        3.4844521963        1.1720446804
  C        11.8426920892       -1.0447244260        5.5655415715
  C        11.3396053450       -1.9448710382        4.6070296355
  C        10.3263266820       -2.8586447888        4.9229976748
  C         9.8265952148       -2.9963282321        6.2175012163
  C        10.3279594267       -2.1279296160        7.1868773243
  C        11.2964505419       -1.1735746297        6.8560778192
  C         9.9387832420       -2.2057943373        8.6336353665
  F         9.5878399534       -0.9808963210        9.1626874291
  F         8.9004393668       -3.0554372549        8.8736014838
  F        11.0118711078       -2.6162940949        9.3916375785
  C         9.7586116975       -3.7159376222        3.8424650498
  F         8.8158573234       -4.5750410254        4.3201931953
  F        10.7227878888       -4.4606343285        3.2208283134
  F         9.1430700301       -2.9695114369        2.8573606542
  C        13.8677038914        0.5778599487        6.4043917335
  C        14.3566599326        1.8803312187        6.6119049660
  C        15.3117006405        2.1789693672        7.5983033239
  C        15.8039941676        1.1724936387        8.4228844145
  C        15.4022690033       -0.1401197683        8.1556607626
  C        14.4681400787       -0.4382539157        7.1631835914
  C        16.0252529373       -1.2368589091        8.9449808097
  F        16.0459598682       -0.8855330192       10.2775548036
  F        17.3290961252       -1.4925299612        8.5826021871
  F        15.3734214731       -2.4224635344        8.8094048221
  C        15.8698845086        3.5743218385        7.6625224793
  F        16.4735783309        3.8603659216        8.8591581213
  F        14.9152675468        4.5273050800        7.4149917473
  F        16.8208564033        3.7828202636        6.6787474755
  H        14.0978986406        2.0080190533        3.1755172674
  H        13.9103669725       -2.0938932071        4.4232508825
  H        15.9069894474       -1.0585248416        0.7519355650
  H        11.4943677110        0.7678417376        2.9172972028
  H         8.9724655480        4.0932585175        4.0187851936
  H        11.6842993980        2.3590241859        6.8891687346
  H        11.7485520875       -1.9667957032        3.5970750950
  H         9.1195529345       -3.7937609985        6.4323904777
  H        11.6395801981       -0.5253989114        7.6580877192
  H        13.9983831815        2.6813274293        5.9728756673
  H        16.4921622679        1.3779702620        9.2424000624
  H        14.2257354556       -1.4851348716        6.9814755529
  H        10.6810130370       11.8553897744        4.7533539413
  H        11.8092583459       10.3068068042        3.4321110484
     646
 i =       46, E =         0.0520294829
 Rh         3.6075874287        0.2229490808        4.8265538469
  P         5.3743963672        0.6266883662        6.2714006674
  C         5.2994950255       -0.2664670445        7.8873985109
  C         4.7913829260       -1.7045009969        7.6761603483
  C         4.5075130516       -2.3911508389        9.0184915138
  C         5.6857549305       -2.2097705206        9.9898474667
  C         6.1996903343       -0.7715986621       10.1624415206
  C         6.5369459995       -0.1430837565        8.8015848241
  C         5.6546949385        2.3853779679        6.7651894446
  C         4.6751699066        2.7898688318        7.8976381565
  C         4.5890401105        4.3073576207        8.1488652555
  C         4.5225466792        5.1094451864        6.8487604920
  C         5.7469841032        4.7761803640        5.9954344801
  C         5.5874854894        3.3209337120        5.5404859718
  C         6.9769987622        0.0863427215        5.4740087003
  C         6.9149178112        0.2237334933        3.9517774896
  P         5.2859672100       -0.2455077531        3.2456100828
  C         5.4520550643       -2.0290052978        2.7199757983
  C         4.3032149068       -2.4444306595        1.7843936515
  C         4.3848351156       -3.9249233534        1.3995986926
  C         4.2015546584       -4.7636673463        2.6675326004
  C         5.3124165209       -4.4243897139        3.6722448738
  C         5.3798068287       -2.9135207728        3.9828423966
  C         5.2415008511        0.7379687709        1.6814293782
  C         4.9547064701        2.2438510534        1.9107842575
  C         4.4200750062        2.8235948762        0.5912612823
  C         5.4484840469        2.6085796904       -0.5290785619
  C         5.9308364954        1.1562343386       -0.6664298513
  C         6.4172149245        0.5905990315        0.6821628653
  C         1.8817719731        0.3003975500        3.4542458583
  C         1.8982000324       -0.9613947447        4.0508228152
  C         1.0475186971       -0.8654185844        5.3215628296
  C         1.8805865459        0.0744378175        6.2262970615
  C         1.8266572839        1.3388516024        5.6337845484
  C         0.9886621483        1.1836492784        4.3457996219
  C        -0.0432071054        0.1553909606        4.8922013388
  H         4.4920261379        0.2515186119        8.4282166740
  H         5.5078520999       -2.3182793303        7.1112891145
  H         3.8888177508       -1.6442021460        7.0462864945
  H         4.3634939239       -3.4663644764        8.8364787480
  H         3.5654357279       -2.0282759020        9.4528390255
  H         5.4368974782       -2.6399509360       10.9681578310
  H         6.5270619121       -2.7906027022        9.5904927434
  H         7.1082865705       -0.7993169328       10.7838793082
  H         5.4764998711       -0.1292836737       10.6899446676
  H         6.8247873748        0.9082813136        8.9442235904
  H         7.4207866071       -0.6451519169        8.3905248386
  H         6.6827736206        2.3984971455        7.1585707198
  H         4.9864902869        2.2920037253        8.8266883992
  H         3.6689735335        2.4083387675        7.6731912763
  H         5.4695827341        4.6379563215        8.7176617008
  H         3.7110088593        4.5239746417        8.7732390978
  H         4.4386392842        6.1803097641        7.0677337322
  H         3.6174315804        4.8354051927        6.2848596720
  H         6.6544421861        4.8855049767        6.6067411819
  H         5.8645258368        5.4567231780        5.1436153402
  H         6.3289781559        3.0290108717        4.7837914316
  H         4.6015797257        3.2218836178        5.0562725012
  H         7.8109983741        0.6875424036        5.8586232313
  H         7.1454618419       -0.9537155346        5.7870928113
  H         7.7106965193       -0.3192675626        3.4233049356
  H         7.0111247265        1.2834081410        3.6803346059
  H         6.4334549127       -2.1469725585        2.2287290078
  H         4.1896222795       -1.7964247614        0.9086589078
  H         3.3829347459       -2.3339531967        2.3701708279
  H         5.3467851035       -4.1461729644        0.9136996380
  H         3.6061930664       -4.1648617104        0.6657655296
  H         4.1735306532       -5.8358690153        2.4279237466
  H         3.2122391105       -4.5355151072        3.0932990543
  H         5.1865485087       -4.9652197803        4.6223290364
  H         6.2684481831       -4.7590060057        3.2450431581
  H         6.2229095974       -2.7001930837        4.6540998701
  H         4.4726007698       -2.5996475584        4.5268993562
  H         4.3628700367        0.3066207278        1.1773456719
  H         5.8837732549        2.7626687710        2.1960404393
  H         4.2478519280        2.4068079421        2.7378510656
  H         4.2199069579        3.9019780770        0.6618118093
  H         3.4540825927        2.3410201327        0.3786054532
  H         6.3057770853        3.2499045661       -0.2768998452
  H         5.0586825869        2.9692238156       -1.4904630293
  H         6.7164937037        1.0946656231       -1.4353481399
  H         5.1029328453        0.5199087112       -1.0167475433
  H         7.2894739497        1.1578726643        1.0277064021
  H         6.7510245849       -0.4473340009        0.5582605314
  H         2.2416202134        0.5636240264        2.4640500700
  H         2.2066599445       -1.9014250474        3.6046458428
  H         0.7457514677       -1.8181420576        5.7633766915
  H         2.0425960407       -0.0967224891        7.2868876370
  H         1.9066777521        2.2758687511        6.1814111386
  H         0.6183499898        2.0979025560        3.8753102980
  H        -0.5475031974        0.5563867609        5.7791858775
  H        -0.7794796686       -0.2043936356        4.1701714660
 Rh        14.7263680427       19.6616893136       14.9171947484
  P        12.9037681026       19.1990010438       13.4935414394
  C        13.0517091130       20.2065439496       11.9630608505
  C        13.4817002216       21.6558703211       12.2423808625
  C        13.8148192692       22.3244831169       10.9041342888
  C        12.6739935636       22.2235599243        9.8825022654
  C        12.2687839348       20.7641284618        9.6439166920
  C        11.8936154815       20.0680461256       10.9623304773
  C        12.6083347222       17.4733020712       12.8490128642
  C        13.6359355146       17.0432778424       11.7803801565
  C        13.5574229907       15.5297946584       11.5253590351
  C        13.7891678225       14.7461909505       12.8206218751
  C        12.6681069609       15.0602300735       13.8145483532
  C        12.6376583060       16.5680492633       14.0951691628
  C        11.2947642103       19.6540425779       14.3659862973
  C        11.4670638215       19.7311141826       15.8945009352
  P        13.1337941537       20.2023762386       16.5376804823
  C        12.9709816357       21.9950862048       16.9918135879
  C        13.9803503384       22.4882909557       18.0519770283
  C        14.0327835343       24.0315768151       18.1447809228
  C        14.0690556840       24.7521437223       16.7895038050
  C        12.9133678160       24.2662316188       15.9153439002
  C        13.1387714173       22.7741599214       15.6782772277
  C        13.2821313014       19.2311278073       18.1247648111
  C        13.5381468819       17.7439878791       17.8047834533
  C        14.0341520272       17.0157740697       19.0599667519
  C        13.0374341950       17.1498765840       20.2166960206
  C        12.5953633492       18.6044949112       20.4613883676
  C        12.1652171477       19.3722561217       19.1838782504
  C        16.3987782927       19.6608890641       16.3280614489
  C        16.4508967724       20.8520477207       15.5965768702
  C        17.3578601180       20.5772566461       14.3813839963
  C        16.5052813491       19.5756478676       13.5575579420
  C        16.4721645035       18.3964211413       14.3061685221
  C        17.2957224875       18.6567777763       15.5845255721
  C        18.3910505974       19.5912726071       14.9871563583
  H        13.9422284396       19.7530782531       11.4941452539
  H        12.7347931286       22.2296043646       12.8104834344
  H        14.3843579488       21.6101555790       12.8760399612
  H        14.1252975108       23.3666009769       11.0515097242
  H        14.6822843960       21.7850188025       10.4966380062
  H        12.9993984925       22.6717991805        8.9335174291
  H        11.7965068528       22.7941489573       10.2175972517
  H        11.4393118619       20.7149878789        8.9229376498
  H        13.1151900050       20.2260909946        9.1873386346
  H        11.6682597519       19.0089757213       10.7811192485
  H        10.9782840145       20.5085708140       11.3736705944
  H        11.6027834350       17.4431464953       12.3962993012
  H        13.4807042738       17.5825933979       10.8344029684
  H        14.6534144761       17.2930911759       12.1147581046
  H        12.5626865752       15.2751780732       11.1294724850
  H        14.2882971155       15.2510042213       10.7548800652
  H        13.8737359219       13.6707537709       12.6130723065
  H        14.7509518469       15.0425701365       13.2675725938
  H        11.7037673295       14.7060663679       13.4250000220
  H        12.8332125013       14.5542932491       14.7756420741
  H        11.7821496885       16.8291591261       14.7339531297
  H        13.5481864375       16.8200459276       14.6619673154
  H        10.5367436616       18.8833439189       14.1607866472
  H        10.8993475700       20.5845628476       13.9311874973
  H        10.7116876048       20.3671206674       16.3744103105
  H        11.3545815830       18.7172435593       16.2963873555
  H        11.9377084025       22.1553112131       17.3420965498
  H        13.7284917431       22.0910368532       19.0471818060
  H        14.9704852047       22.0790511199       17.8086148226
  H        13.1340127486       24.3733193406       18.6763939883
  H        14.8857823576       24.3432341141       18.7631045112
  H        14.0427620879       25.8371589544       16.9532889114
  H        15.0069124479       24.5528969606       16.2505023493
  H        12.8524208975       24.7976250326       14.9579302300
  H        11.9533991030       24.4170882440       16.4303965422
  H        12.4822339149       22.3672617194       14.9004779596
  H        14.1687578171       22.6215051792       15.3167081089
  H        14.1845392412       19.6457586593       18.6070144994
  H        12.5988141854       17.2904741582       17.4532981876
  H        14.2597961108       17.6514841934       16.9782558944
  H        14.2368911438       15.9541903152       18.8532807691
  H        14.9961291074       17.4577885644       19.3596767860
  H        12.1488396685       16.5296700551       20.0307685278
  H        13.5021814219       16.7484414787       21.1292912933
  H        11.7829085522       18.5841778126       21.2026091913
  H        13.4262004257       19.1692197850       20.9120528522
  H        11.1978896036       19.0088978174       18.8118734546
  H        12.0218433645       20.4310750626       19.4337956889
  H        15.9749819872       19.4997058896       17.3134518105
  H        16.1550866626       21.8444039958       15.9284053778
  H        17.7471514797       21.4538251686       13.8572753420
  H        16.3208388912       19.6584839932       12.4898040727
  H        16.2441832476       17.3933650107       13.9551531290
  H        17.5854204329       17.7724731740       16.1569514114
  H        18.9653893384       19.0884674750       14.1986935594
  H        19.0786162944       20.0584482247       15.7018232840
 Rh         6.0087400556       10.0747623409       14.9970025424
  P         4.1833397750        9.5559738730       13.6567249509
  C         3.6399146076        7.8375150219       13.1139395154
  C         3.5821252429        6.8722822045       14.3156658032
  C         3.6282289127        5.3979466125       13.8787617074
  C         4.8521790661        5.0955401766       13.0113099370
  C         4.7432429461        5.8895880686       11.7106939891
  C         4.6296597927        7.3912721955       12.0205030272
  C         2.6144791522       10.2036917009       14.4038050987
  C         2.6649260683       10.1203441330       15.9289604426
  P         4.3739992159       10.6214367026       16.4982173429
  C         4.1533990061       12.3810142919       17.0161173773
  C         3.9592623402       13.2840682687       15.7747861280
  C         4.0480062838       14.7748834363       16.1289925415
  C         5.3641414459       15.0406551561       16.8734735148
  C         5.4076924294       14.2771134107       18.1998108444
  C         5.2996374707       12.7672950357       17.9770797447
  C         4.6628834265        9.7054473642       18.0575352675
  C         5.0045530928        8.2287801390       17.8102143242
  C         5.2665726793        7.5173780916       19.1410793603
  C         4.0236515332        7.6022775321       20.0394950228
  C         3.4370266065        9.8140553258       18.9636571705
  C         3.6756474705        9.0802302048       20.2861573473
  C         4.4181646934       10.5304860294       12.0985504693
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  C        15.8925728365        9.9389909595        3.8832343399
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  C        14.4352812908        5.2002278058        3.5368950166
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  C        14.1747856106       10.3216598622        1.5845414438
  C        13.9967731936       11.8261822352        1.8496578620
  C        13.5671879572       12.5358181013        0.5654032468
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  C        15.0676932020        8.7573721253        9.9964091110
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  F         7.3482428586       10.8289858155       -0.2688763746
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  C         6.4908775548        7.8688883735        2.4642824386
  C         5.5080576539        8.1818925551        3.4174298781
  C         5.1344808104        9.5053597721        3.7251936884
  C         5.7046878978       10.5004454965        2.8997984787
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  C         2.5227308571        7.8746579451        4.6379163233
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  C         1.6099046836        7.5329893383        8.7982639794
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  F         2.7009975873        7.1610476058        9.5397430557
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  F         0.1891664232        5.0690417356        4.3302869707
  F         0.6503262446        6.7248550454        2.9301260506
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  F         7.4339231495        7.0970332666        7.7832515463
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  C         1.2916409869       13.1897400459        4.2749300095
  C         1.8275620866       13.0237879439        5.5461277374
  C         2.7272362052       11.9761718306        5.8274396897
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  F         1.8941014180       13.1555420082        1.0987365897
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  F         7.5018811044        5.8835182304        3.2990875262
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  H         3.0747233234       11.8653512559        6.8540242020
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  F        11.2133815496        9.0168226366       20.2257027517
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  C        11.3718864320       11.0443052847       18.1986688877
  C        11.8465649457       12.0166667013       17.3196597269
  C        12.7155576675       11.6927919852       16.2693382238
  C        13.2259347048       10.3960945375       16.0964629736
  C        12.7916700665        9.4419922572       17.0397083139
  B        14.1445213854        9.9790198537       14.7985198777
  C        15.1646779015       11.1708140353       14.3493822357
  C        15.8252635359       11.9831279661       15.2850703959
  C        16.7207891933       12.9785802266       14.8715605680
  C        17.0736488391       13.1193256363       13.5253125477
  C        16.4793066873       12.2708716461       12.5827516186
  C        15.5225018715       11.3366223695       12.9989327727
  C        16.8144480669       12.3881224878       11.1105879067
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  F        15.7410397437       12.8105420089       10.3481784496
  F        17.2329340897       11.1917287874       10.5653024586
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  F        18.1462947141       14.8339123811       15.4069583578
  F        17.8436631185       13.2538511001       16.9447423782
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  C        12.4673181687       10.6530508301       12.8492608250
  C        11.4745763986       10.4178923591       11.8856678050
  C        10.9888886822        9.1254912085       11.6781536727
  C        11.6064418060        8.0737008603       12.3593204861
  C        12.6527982164        8.3057323542       13.2544230606
  C        11.0254647955        6.6982492072       12.2229273877
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  F        11.9221552261        5.6916793576       12.4639758624
  F        10.0077636301        6.4986411899       13.1292940052
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  F        10.6266547278       12.6618368359       11.7412251970
  F        11.7665389728       11.8878972973       10.0409343436
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  C        15.8887730892        8.6238070276       16.3167831052
  C        16.8185395965        7.5889815954       16.4791497604
  C        17.0977337854        6.6964039027       15.4442125327
  C        16.4747878764        6.8610407380       14.2167452823
  C        15.5535252943        7.9043907918       14.0474534736
  C        17.4892683867        7.2742817437       17.7763471025
  F        17.6170381623        8.3317137755       18.6277422802
  F        16.7934302981        6.3177510499       18.4798444625
  F        18.7607666441        6.7892491654       17.5414555355
  C        11.3783605919       13.4314456065       17.4351221074
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  F        10.4772267052       13.7376217091       16.4308079981
  F        12.3992639495       14.3377009934       17.3068660482
  F        17.6296144981        4.8973553361       13.4911314696
  F        17.3751283288        6.5311504343       12.0281895128
  F        15.6571973730        5.2731439637       12.6138703658
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  H        10.6306319072       11.2886505744       18.9585294039
  H        12.9700705826       12.4867470133       15.5680843427
  H        13.1666279463        8.4254484290       16.9837996089
  H        15.6471675554       11.8419581925       16.3519191318
  H        17.7910065548       13.8788145234       13.2321160005
  H        15.0286089182       10.7102749160       12.2597482015
  H        12.7732136305       11.6772951026       13.0610314273
  H        10.1200372240        8.9560220500       11.0513155845
  H        13.1176311834        7.4285915656       13.7023472743
  H        15.7195966561        9.3272152009       17.1322511473
  H        17.8006555943        5.8871138650       15.6144663196
  H        15.0954698237        8.0609123242       13.0754910764
  F         2.7269786693       18.6325237556       20.1526173923
  C         2.7107762397       18.3137534354       18.8089484672
  F         1.3934252528       18.0568565429       18.4893570949
  F         3.3616672191       17.1227695931       18.6422976751
  C         3.3144097755       19.4000784205       17.9622782534
  C         4.1401461390       19.0564206137       16.8811443638
  C         4.6679827492       20.0131170403       15.9859764680
  C         4.2515419714       21.3375863525       16.2030717705
  C         3.4561382675       21.6871447693       17.3010685216
  C         2.9994919099       20.7380560496       18.2122577689
  C         2.9301512794       23.0777265857       17.4318161883
  F         2.3008096311       23.2959384721       18.6225604871
  F         3.9054180559       24.0329030725       17.3044187870
  F         1.9937379767       23.2953485762       16.4312497518
  B         5.6088731048       19.6354793648       14.6854239107
  C         6.6973311989       18.4631059286       14.9847424299
  C         7.3272585820       18.3459944441       16.2336929920
  C         8.2692343821       17.3402094617       16.4699752045
  C         8.6286035776       16.4287369956       15.4805278923
  C         8.0676574728       16.5752093906       14.2125584522
  C         7.1472593724       17.6065149878       13.9655264599
  C         8.4245733906       15.6086132126       13.1155180107
  F         7.3141170664       15.0343105336       12.5419957423
  F         9.2134247583       14.5738572279       13.5632196911
  F         9.1089467610       16.2287901351       12.0985676541
  C         8.7926781368       17.1661747050       17.8534918769
  F         8.9132790712       18.3722127763       18.4890140616
  F        10.0167401159       16.5641202026       17.8944867247
  F         7.9553838045       16.3864275799       18.6267247700
  C         6.6277428181       20.8457447054       14.2852686235
  C         7.2021599502       21.6842506150       15.2569191297
  C         8.1810103774       22.6259100934       14.9204319823
  C         8.6374639635       22.7560216741       13.6052195258
  C         8.0653125131       21.9431919199       12.6240611754
  C         7.0952425414       20.9960543237       12.9688710686
  C         8.4103626385       22.1046053188       11.1683730942
  F         8.8242206358       20.9010758424       10.6307460624
  F         9.3803996899       23.0301562870       10.9301230307
  F         7.3283478225       22.5126288522       10.4162978700
  C         8.6865257338       23.5740541628       15.9668906427
  F         9.5992578020       24.4644366973       15.4775100603
  F         7.6888349866       24.3534721575       16.5038537420
  F         9.2748431479       22.8882649012       17.0135328724
  C         4.5707411907       19.2438783199       13.4736117142
  C         4.0842444043       17.9381777816       13.2752317732
  C         3.1207880989       17.6635637781       12.2911838755
  C         2.6159124829       18.6632755156       11.4648009256
  C         3.0456619012       19.9781057181       11.6742337626
  C         4.0156666869       20.2462887811       12.6498964773
  C         2.4112718272       21.0917002209       10.8792493567
  F         2.3722825306       20.7795497491        9.5351018688
  F         1.1017754952       21.3230394555       11.2587157056
  F         3.0410898325       22.2969787566       10.9989679482
  C         2.5187442132       16.2954096324       12.1883774550
  F         1.9333959361       16.0491530807       10.9859794891
  F         3.4307550409       15.3028303879       12.3983571399
  F         1.5250212115       16.1212158474       13.1296951584
  H         4.3593888150       18.0023023318       16.7376483063
  H         4.5434727288       22.1097046724       15.4899747479
  H         2.3986717356       21.0716248674       19.0546777527
  H         7.0943064299       19.0458124866       17.0341327039
  H         9.3326288634       15.6317213347       15.7022489952
  H         6.7660637633       17.7617456227       12.9577027064
  H         6.8559876702       21.6115534764       16.2879963396
  H         9.3921982081       23.4964553297       13.3656574702
  H         6.6790449292       20.3635712540       12.1873415483
  H         4.4620559670       17.1111212833       13.8765633014
  H         1.9256579029       18.3840857858       10.6699385244
  H         4.3712957135       21.2675950732       12.7528106755
  F        15.6192391197        1.2696530747       -0.2984629912
  C        15.6664809415        1.6399356066        1.0215107629
  F        16.9914988606        1.8939243572        1.3175716537
  F        15.0363003818        2.8388066908        1.1041691603
  C        15.0823757475        0.5895880147        1.9229710136
  C        14.3007704994        0.9457784575        3.0297756595
  C        13.7850909962       -0.0317660297        3.9123175929
  C        14.2220203514       -1.3489756383        3.6947631996
  C        14.9922396205       -1.7106513108        2.5851606360
  C        15.3876227285       -0.7499629613        1.6549819008
  C        15.4607223205       -3.1232331320        2.3968385395
  F        16.0446918690       -3.3159962251        1.1789892209
  F        14.4441423706       -4.0470857790        2.4983396546
  F        16.4078601097       -3.4523610951        3.3606761982
  B        12.8133615048        0.2426261184        5.2099668976
  C        11.7159362421        1.4264116822        4.9243690155
  C        11.1329943338        1.5008638524        3.6413499747
  C        10.1692459342        2.4703559755        3.3260327957
  C         9.7246127921        3.3692776453        4.3006820271
  C        10.2821681378        3.3074288729        5.5771310655
  C        11.2584207173        2.3472584922        5.8834838043
  C         9.9214326289        4.2966861078        6.6524066439
  F        11.0407699056        4.8784913678        7.1877020546
  F         9.1245101164        5.3282382989        6.2312872379
  F         9.2966945595        3.6779549484        7.7041638445
  C         9.6429546784        2.6934678071        1.9336916435
  F         9.5000162336        1.5271333485        1.2421426801
  F         8.4176500792        3.3325219691        1.9090659611
  F        10.4740242900        3.4766496631        1.1762419118
  C        11.8422747061       -1.0420816729        5.5657413686
  C        11.3380449762       -1.9430730560        4.6082440130
  C        10.3279081894       -2.8576386719        4.9246207390
  C         9.8272399491       -2.9943655453        6.2207417215
  C        10.3314291396       -2.1245757010        7.1891598125
  C        11.2983227476       -1.1714536799        6.8573023587
  C         9.9394553336       -2.2048954768        8.6345373847
  F         9.5877748318       -0.9804506532        9.1631561830
  F         8.9008321922       -3.0551014880        8.8735111514
  F        11.0120998312       -2.6163037345        9.3921935850
  C         9.7593173780       -3.7154973630        3.8442315053
  F         8.8166308224       -4.5742407976        4.3217381436
  F        10.7225889481       -4.4604154521        3.2209441648
  F         9.1432408467       -2.9694689228        2.8583357079
  C        13.8673303849        0.5811235898        6.4018240933
  C        14.3575924069        1.8807196638        6.6118516504
  C        15.3110982983        2.1807368963        7.5937753031
  C        15.8084112405        1.1718157740        8.4218961367
  C        15.4023426412       -0.1397166471        8.1533904667
  C        14.4686739386       -0.4369079781        7.1640672317
  C        16.0254530580       -1.2368841401        8.9448962641
  F        16.0459775175       -0.8860706154       10.2776278902
  F        17.3292322087       -1.4926865186        8.5826917858
  F        15.3733065447       -2.4223461061        8.8092865335
  C        15.8704303899        3.5741012841        7.6623443540
  F        16.4735579483        3.8604272105        8.8590774581
  F        14.9152755703        4.5271719238        7.4149299989
  F        16.8211046672        3.7830165742        6.6785804034
  H        14.0938858662        2.0061022032        3.1796551264
  H        13.9158663083       -2.1014957501        4.4196014912
  H        15.9127018537       -1.0524082275        0.7547161480
  H        11.4855785614        0.7745431086        2.9078987696
  H         8.9728106142        4.0998440697        4.0275208001
  H        11.6844490594        2.3558536569        6.8874937873
  H        11.7439572238       -1.9601443243        3.5962643160
  H         9.1163665305       -3.7850824922        6.4398498465
  H        11.6424539553       -0.5197451546        7.6569270116
  H        13.9963811907        2.6853509196        5.9735175698
  H        16.4941914658        1.3814072708        9.2379776221
  H        14.2212341683       -1.4820530086        6.9824184236
  H        10.6843788748       11.8538223821        4.7585966854
  H        11.8015024605       10.2955760633        3.4176426823
     646
 i =       47, E =         0.0447517456
 Rh         3.6086684541        0.2221027496        4.8263791637
  P         5.3761538199        0.6276135638        6.2718216785
  C         5.2956397892       -0.2659392026        7.8869491331
  C         4.7930268814       -1.7056397205        7.6767553131
  C         4.5100269673       -2.3922399916        9.0194388488
  C         5.6880048750       -2.2139096879        9.9914551967
  C         6.1996787314       -0.7745355104       10.1613892539
  C         6.5334513971       -0.1445768258        8.7996810749
  C         5.6567175943        2.3868829433        6.7665356432
  C         4.6749730415        2.7910646121        7.8966951213
  C         4.5888207223        4.3082162696        8.1496815225
  C         4.5225824770        5.1117995414        6.8500620768
  C         5.7455625359        4.7764947519        5.9948293542
  C         5.5883971483        3.3207828013        5.5411193054
  C         6.9792921908        0.0877536820        5.4761677056
  C         6.9183497658        0.2258255845        3.9532955636
  P         5.2867076752       -0.2447018757        3.2474445919
  C         5.4497172998       -2.0284611602        2.7225691687
  C         4.3025371562       -2.4424018869        1.7842680558
  C         4.3840267933       -3.9234220219        1.4013745636
  C         4.2031257983       -4.7628108803        2.6686760454
  C         5.3141473896       -4.4245538854        3.6726050619
  C         5.3802269792       -2.9148690752        3.9845499764
  C         5.2370462192        0.7368805945        1.6816358922
  C         4.9524221357        2.2419233258        1.9105210529
  C         4.4209574256        2.8245293704        0.5911985336
  C         5.4496267452        2.6105789821       -0.5297245427
  C         5.9289305380        1.1563474642       -0.6656775654
  C         6.4121841704        0.5892672514        0.6835812204
  C         1.8804587551        0.3011402153        3.4547064397
  C         1.8976811237       -0.9596281472        4.0521484616
  C         1.0472574605       -0.8636952352        5.3235207431
  C         1.8820033178        0.0748783189        6.2273689680
  C         1.8300745840        1.3386194632        5.6340452160
  C         0.9889317350        1.1848867976        4.3477362892
  C        -0.0432979953        0.1559697913        4.8919656298
  H         4.4867400051        0.2543679932        8.4233826044
  H         5.5143522851       -2.3130046310        7.1111069050
  H         3.8888672098       -1.6512387865        7.0491211841
  H         4.3596207736       -3.4670318029        8.8400473311
  H         3.5693647501       -2.0227933028        9.4514716453
  H         5.4368976526       -2.6432204529       10.9699672954
  H         6.5290357141       -2.7971366923        9.5950498408
  H         7.1078154903       -0.7968941785       10.7837122335
  H         5.4721890973       -0.1362159822       10.6876336578
  H         6.8226555144        0.9065578010        8.9403465672
  H         7.4144855180       -0.6463555717        8.3819984040
  H         6.6845917724        2.4059630503        7.1604260017
  H         4.9834097621        2.2934317182        8.8266610468
  H         3.6694716778        2.4092126010        7.6694829740
  H         5.4695159535        4.6382640098        8.7185945474
  H         3.7118722752        4.5210330249        8.7769973708
  H         4.4411061750        6.1830785422        7.0690114620
  H         3.6169553747        4.8401598267        6.2860795794
  H         6.6549991108        4.8864590195        6.6031346864
  H         5.8608380099        5.4544338311        5.1406823136
  H         6.3333582886        3.0311649049        4.7869203286
  H         4.6039210388        3.2168959178        5.0551211801
  H         7.8131125303        0.6859833155        5.8665899516
  H         7.1467721531       -0.9535596572        5.7855971435
  H         7.7153381066       -0.3196715651        3.4290656000
  H         7.0172583143        1.2847545351        3.6795703283
  H         6.4292836165       -2.1461213722        2.2276889575
  H         4.1980230330       -1.7963424885        0.9056589591
  H         3.3771654784       -2.3277083030        2.3612148721
  H         5.3463148427       -4.1466079213        0.9171494706
  H         3.6042676697       -4.1609321444        0.6680763059
  H         4.1787647971       -5.8353295903        2.4304764389
  H         3.2140410454       -4.5361703059        3.0957261042
  H         5.1848427506       -4.9671264435        4.6210535296
  H         6.2721480401       -4.7573926458        3.2481567191
  H         6.2253575944       -2.7037518275        4.6541232827
  H         4.4732237818       -2.6057696141        4.5313027565
  H         4.3566235876        0.3100888752        1.1766056093
  H         5.8820025881        2.7594648271        2.1957716731
  H         4.2444324052        2.4028147744        2.7369033357
  H         4.2174302383        3.9016694559        0.6701036413
  H         3.4568299834        2.3413023594        0.3716302735
  H         6.3109286529        3.2487287273       -0.2838939037
  H         5.0576008533        2.9710671703       -1.4905344299
  H         6.7190440756        1.0942624237       -1.4296284513
  H         5.1012233500        0.5218131911       -1.0199486777
  H         7.2841644998        1.1560209050        1.0307140685
  H         6.7459569004       -0.4489507393        0.5615339494
  H         2.2322485455        0.5629771118        2.4608177459
  H         2.2053244523       -1.9005370730        3.6064503754
  H         0.7445056859       -1.8161740076        5.7647304181
  H         2.0502965779       -0.1014327340        7.2865433033
  H         1.9211126413        2.2784743032        6.1745802189
  H         0.6188064220        2.1004301555        3.8798615452
  H        -0.5550142751        0.5558624570        5.7750292488
  H        -0.7737892254       -0.2076799854        4.1656125605
 Rh        14.7257205193       19.6602865391       14.9198772823
  P        12.9057818986       19.1987177049       13.4957375466
  C        13.0540739552       20.2051213902       11.9635209852
  C        13.4830495458       21.6552803243       12.2402430373
  C        13.8171035686       22.3254476120       10.9023001930
  C        12.6752981694       22.2251950777        9.8811796743
  C        12.2689677601       20.7653110951        9.6448557426
  C        11.8947901328       20.0695129126       10.9639704178
  C        12.6093679785       17.4726964489       12.8528500519
  C        13.6366377163       17.0428245171       11.7830745322
  C        13.5589893253       15.5294712312       11.5251431880
  C        13.7894715625       14.7457833823       12.8206845219
  C        12.6689270379       15.0601656407       13.8153993300
  C        12.6376619585       16.5672480801       14.0992544856
  C        11.2962983810       19.6522296548       14.3665176509
  C        11.4626744617       19.7268777258       15.8958839393
  P        13.1313449988       20.2002652441       16.5369222887
  C        12.9715118653       21.9938519827       16.9904079432
  C        13.9809988657       22.4873895304       18.0504297593
  C        14.0312266790       24.0303701090       18.1451770196
  C        14.0695277514       24.7517505643       16.7904553961
  C        12.9144925042       24.2673366729       15.9141760123
  C        13.1360930006       22.7745566224       15.6766925622
  C        13.2839501159       19.2311363247       18.1233289877
  C        13.5389831278       17.7438025990       17.8048107358
  C        14.0346735638       17.0169013575       19.0608008483
  C        13.0364194111       17.1504196191       20.2173371821
  C        12.5959228723       18.6058750260       20.4616459936
  C        12.1685161007       19.3725705636       19.1832906225
  C        16.4002102615       19.6599596384       16.3301733508
  C        16.4509304657       20.8518492293       15.5969157462
  C        17.3563917690       20.5761994458       14.3809615847
  C        16.5034780796       19.5760708548       13.5569207358
  C        16.4697705335       18.3952372163       14.3054199437
  C        17.2947834678       18.6555544321       15.5831165045
  C        18.3896341370       19.5905202911       14.9875520714
  H        13.9414576056       19.7465262985       11.4940576756
  H        12.7301491572       22.2253409819       12.8040469486
  H        14.3826272720       21.6162097359       12.8783551197
  H        14.1254388333       23.3680784337       11.0516539317
  H        14.6871065997       21.7908439246       10.4936884514
  H        12.9986447025       22.6758108853        8.9324454545
  H        11.7987586150       22.7958491574       10.2185381285
  H        11.4364576661       20.7124290616        8.9276436165
  H        13.1144264526       20.2265992370        9.1874878995
  H        11.6687019085       19.0110263628       10.7809957565
  H        10.9795395058       20.5103670120       11.3754045208
  H        11.6042989572       17.4450329535       12.3989815551
  H        13.4786647159       17.5845450738       10.8390886911
  H        14.6544886748       17.2937697573       12.1157937017
  H        12.5650693274       15.2746478550       11.1275903493
  H        14.2897336529       15.2504130529       10.7541909680
  H        13.8700654152       13.6698463718       12.6145148955
  H        14.7525846966       15.0407093008       13.2658179176
  H        11.7046858651       14.7073695621       13.4244505119
  H        12.8323235888       14.5507639013       14.7750093173
  H        11.7822674448       16.8256620020       14.7398023066
  H        13.5474849939       16.8204616506       14.6665719428
  H        10.5385599124       18.8839172663       14.1521617023
  H        10.9065989783       20.5863265977       13.9348453436
  H        10.7058343729       20.3643611145       16.3720769438
  H        11.3451493867       18.7141277248       16.2997692628
  H        11.9401323305       22.1518607454       17.3467755102
  H        13.7283646165       22.0884869967       19.0448094339
  H        14.9740712258       22.0844742871       17.8090554010
  H        13.1329551133       24.3721822658       18.6773983145
  H        14.8862053489       24.3376250126       18.7628055614
  H        14.0416832192       25.8368524312       16.9535175971
  H        15.0102193639       24.5539549516       16.2558099178
  H        12.8549777225       24.8008166377       14.9576542889
  H        11.9539746589       24.4202018518       16.4274417414
  H        12.4762046276       22.3694821236       14.9005501001
  H        14.1645408613       22.6207641759       15.3115387985
  H        14.1893254953       19.6447931992       18.6004984591
  H        12.6005745832       17.2879503195       17.4533980533
  H        14.2610866948       17.6503115757       16.9788039157
  H        14.2352664136       15.9558455387       18.8500127557
  H        14.9977615515       17.4571831743       19.3597735773
  H        12.1496865449       16.5289762679       20.0266009734
  H        13.4973995171       16.7490820431       21.1318756726
  H        11.7809684792       18.5938013221       21.2004484118
  H        13.4277939962       19.1668024327       20.9154440762
  H        11.2032269856       19.0054912531       18.8094248967
  H        12.0202280947       20.4304264171       19.4341427441
  H        15.9886326820       19.5033062981       17.3205247053
  H        16.1571454684       21.8438146594       15.9284817122
  H        17.7425415989       21.4533567400       13.8551016074
  H        16.3173752746       19.6610407967       12.4907319120
  H        16.2379964783       17.3946332761       13.9525798115
  H        17.5886654743       17.7719567610       16.1547411269
  H        18.9678323338       19.0883080432       14.2018085223
  H        19.0723930844       20.0554704139       15.7082236563
 Rh         6.0086094045       10.0760328688       14.9963380837
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  H         7.3493765182        9.9857498203       12.5573145816
 Rh        12.6752909713        9.6617635632        4.7171370840
  P        14.3123738577       10.0902207977        6.1546590791
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  C        14.7430008965       12.8590851190        5.5168975867
  C        14.7419603398       14.3277750570        5.9848119800
  C        13.4892426572       14.7014398984        6.7829621220
  C        13.3345133871       13.7879180183        7.9992461205
  C        13.1870461358       12.3439868231        7.4866117033
  C        15.9683195166        9.6933620754        5.3966587098
  C        15.8959596270        9.9392589908        3.8841314294
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  C        14.3144231090        7.6019553848        2.6867678738
  C        14.5483739244        6.6874096465        3.9043121925
  C        14.4345004354        5.2006753171        3.5363056459
  C        13.0880805117        4.9232931031        2.8498887397
  C        12.9703014378        5.7702902309        1.5746887683
  C        13.0307509641        7.2682638142        1.8960797212
  C        14.1723427542       10.3214691902        1.5859401921
  C        13.9955247384       11.8266851773        1.8501034422
  C        13.5679853261       12.5372493583        0.5649773119
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  C        15.2744921929       10.0940810260        0.5279442960
  C        14.7880429929       10.7383659674       -0.7847536736
  C        14.1495933097        9.2609235235        7.7709750944
  C        13.7123468782        7.7907611633        7.6801617758
  C        13.3349650634        7.2136505488        9.0539684418
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  C        15.0680178011        8.7579314665       10.0037763559
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  F         7.3484687335       10.8286739977       -0.2676377442
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  C         5.1341864688        9.5035708529        3.7257701544
  C         5.7047412662       10.4986323363        2.9007405179
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  C         2.5257124075        7.8748207533        4.6387187190
  C         1.6360307769        6.8816142399        5.0707718164
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  C         1.9450828535        7.6133297738        7.3326104702
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  F         2.7013495743        7.1611741907        9.5391777356
  F         1.1818849648        8.7300417252        9.3121205289
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  F         0.1895998351        5.0694757817        4.3302359291
  F         0.6503965759        6.7249269333        2.9297392426
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  F         6.3505200896       14.0836893315        7.4859076362
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  F         7.4328713470        7.0970870684        7.7824444001
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  C         1.1089345697       12.3802159007        1.9189837704
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  F         1.8942066179       13.1552439896        1.0986118915
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  F         7.5015470942        5.8834769206        3.2989383834
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  H         3.0789554447       11.8655574703        6.8529878683
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  F        11.2148709381        9.0160244560       20.2294084790
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  C        11.3732934888       11.0448384268       18.1986158297
  C        11.8485359101       12.0152844785       17.3159822433
  C        12.7159826148       11.6921088519       16.2681045039
  C        13.2260517016       10.3922343699       16.0946110167
  C        12.7896617225        9.4406048335       17.0384885436
  B        14.1455226826        9.9788892033       14.7965822879
  C        15.1640507313       11.1712112166       14.3457136901
  C        15.8239005326       11.9864292645       15.2811734316
  C        16.7201989051       12.9797456950       14.8697270882
  C        17.0752512052       13.1220053923       13.5231057417
  C        16.4792643329       12.2710835543       12.5809423877
  C        15.5242763042       11.3377036307       12.9961061448
  C        16.8151803554       12.3889953491       11.1097897647
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  F        15.7412500709       12.8109251698       10.3477585431
  F        17.2330539631       11.1918885163       10.5652450679
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  F        16.2478003095       14.6691721610       16.4967852634
  F        18.1464330299       14.8342895553       15.4069277753
  F        17.8432559972       13.2537859317       16.9442081895
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  C        12.4661968225       10.6549413786       12.8506921328
  C        11.4697137345       10.4155786529       11.8884769294
  C        10.9907736248        9.1242999218       11.6797804242
  C        11.6046067958        8.0740318932       12.3607114010
  C        12.6512879047        8.3075938644       13.2598996912
  C        11.0258434163        6.6981436861       12.2240544080
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  F        11.9221831025        5.6914575159       12.4641599699
  F        10.0074792502        6.4985074974       13.1295404170
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  F         9.7428081546       11.1779175856       10.4125846302
  F        10.6244352692       12.6625739050       11.7437248769
  F        11.7699003611       11.8879683744       10.0505592670
  C        15.1962927297        8.7694569613       15.0934144701
  C        15.8902627540        8.6179420346       16.3155181070
  C        16.8158600963        7.5901466469       16.4788254929
  C        17.1021966437        6.6898174490       15.4459210626
  C        16.4721591137        6.8612937208       14.2137523392
  C        15.5573508365        7.8998993554       14.0474645556
  C        17.4887443498        7.2736672303       17.7763417710
  F        17.6164451458        8.3319215152       18.6276080771
  F        16.7940736258        6.3169732840       18.4798004975
  F        18.7601288295        6.7893650724       17.5427522637
  C        11.3787852080       13.4306554535       17.4342654852
  F        10.7811233496       13.6730415901       18.6301124267
  F        10.4773012600       13.7375291992       16.4305997883
  F        12.3994056730       14.3375341617       17.3067199976
  F        17.6287881259        4.8917341030       13.4903054428
  F        17.3750566015        6.5308644316       12.0286029166
  F        15.6571165581        5.2731856144       12.6137932941
  C        16.7821201021        5.9005215901       13.0954161802
  H        10.6358437546       11.2882385181       18.9578927023
  H        12.9768549245       12.4850504797       15.5679760859
  H        13.1659264414        8.4215494621       16.9802510581
  H        15.6410106542       11.8475408616       16.3476357555
  H        17.7904812127       13.8808117436       13.2286264450
  H        15.0320162202       10.7105546348       12.2546217574
  H        12.7710009401       11.6795853192       13.0567903171
  H        10.1249739379        8.9527299256       11.0445797001
  H        13.1155587440        7.4337230153       13.7117428004
  H        15.7159994218        9.3213934737       17.1329478165
  H        17.7998430471        5.8846908408       15.6113571297
  H        15.0983109705        8.0562309400       13.0716197168
  F         2.7276096681       18.6324371553       20.1519645830
  C         2.7140261966       18.3143709921       18.8080187597
  F         1.3965038093       18.0720368332       18.4866126132
  F         3.3609587596       17.1203599661       18.6421411950
  C         3.3183499006       19.3971273421       17.9606321251
  C         4.1428673236       19.0547929696       16.8788578489
  C         4.6684736272       20.0120898381       15.9854438574
  C         4.2505449569       21.3371317171       16.2035706818
  C         3.4527581345       21.6846138721       17.3014795848
  C         2.9983672973       20.7346898948       18.2104690805
  C         2.9288902543       23.0768668486       17.4318952760
  F         2.3006482040       23.2955907050       18.6227384341
  F         3.9049881256       24.0320971346       17.3044846929
  F         1.9933230875       23.2953521237       16.4311403261
  B         5.6087397005       19.6360493164       14.6847865944
  C         6.6945979467       18.4615944083       14.9844339144
  C         7.3256620527       18.3401575901       16.2323965615
  C         8.2648577489       17.3406948015       16.4715321899
  C         8.6315982555       16.4242570701       15.4802947407
  C         8.0664093193       16.5754891633       14.2115747619
  C         7.1471517453       17.6012833495       13.9657355518
  C         8.4252164421       15.6078861423       13.1156416280
  F         7.3140773312       15.0342673610       12.5420444859
  F         9.2136825692       14.5734189327       13.5631321378
  F         9.1089117879       16.2287135320       12.0984725773
  C         8.7913458068       17.1624826008       17.8535816533
  F         8.9119709138       18.3703685259       18.4885170755
  F        10.0168150054       16.5640880800       17.8943946642
  F         7.9560412907       16.3807971891       18.6267241272
  C         6.6261603177       20.8480354068       14.2842438065
  C         7.2005656099       21.6881292812       15.2548487604
  C         8.1789025587       22.6305673406       14.9174357097
  C         8.6352768583       22.7597671405       13.6024969507
  C         8.0640425815       21.9452859001       12.6228263069
  C         7.0936185453       20.9981601729       12.9676534610
  C         8.4099963579       22.1044560105       11.1677262286
  F         8.8240966006       20.9007108271       10.6307253666
  F         9.3803010489       23.0300176861       10.9298117744
  F         7.3281184920       22.5125864331       10.4158756016
  C         8.6858497359       23.5755188631       15.9658799776
  F         9.5994618193       24.4650336209       15.4773864500
  F         7.6886199499       24.3541630690       16.5039839814
  F         9.2743841909       22.8884690722       17.0126187098
  C         4.5695436430       19.2462639518       13.4748666013
  C         4.0809420294       17.9407852439       13.2732904077
  C         3.1213939612       17.6643166773       12.2931833448
  C         2.6124625222       18.6654541435       11.4625310596
  C         3.0485317835       19.9814486210       11.6763059331
  C         4.0131700349       20.2483103490       12.6495710342
  C         2.4116347062       21.0914062381       10.8786260795
  F         2.3725899481       20.7794733712        9.5347154054
  F         1.1017883898       21.3229670951       11.2576713674
  F         3.0416897555       22.2963530519       10.9988539558
  C         2.5178403407       16.2962913289       12.1876558491
  F         1.9332602942       16.0491814196       10.9856674231
  F         3.4305918852       15.3036977011       12.3982345906
  F         1.5249994446       16.1212380424       13.1296838963
  H         4.3633534990       18.0001917358       16.7335030311
  H         4.5442806238       22.1102580127       15.4942170884
  H         2.3958023026       21.0600494058       19.0551681344
  H         7.0894402402       19.0427859985       17.0339870734
  H         9.3320438554       15.6302389877       15.7001978723
  H         6.7640359444       17.7525779210       12.9570104433
  H         6.8600294163       21.6141791157       16.2875363568
  H         9.3918475747       23.4982300307       13.3605188948
  H         6.6800432921       20.3649138842       12.1856982940
  H         4.4609037100       17.1146701465       13.8784623904
  H         1.9201958900       18.3944328472       10.6733059163
  H         4.3677571968       21.2717038747       12.7565032125
  F        15.6212787924        1.2696637151       -0.2978217769
  C        15.6664101006        1.6409335834        1.0230944746
  F        16.9915484680        1.8936624259        1.3182485014
  F        15.0373839581        2.8405626742        1.1047384696
  C        15.0812676549        0.5890646914        1.9230771344
  C        14.2959392612        0.9441806726        3.0308248037
  C        13.7822818262       -0.0359322816        3.9107827283
  C        14.2198281331       -1.3523349346        3.6934447250
  C        14.9928269351       -1.7108587354        2.5814696733
  C        15.3876416637       -0.7480931926        1.6568061238
  C        15.4608362681       -3.1236334268        2.3963177890
  F        16.0449657001       -3.3160827931        1.1787562039
  F        14.4443639177       -4.0473041707        2.4983537733
  F        16.4074866443       -3.4523110039        3.3605907229
  B        12.8129197593        0.2433049278        5.2081088079
  C        11.7184183040        1.4292334786        4.9196092693
  C        11.1333021281        1.5049990449        3.6388249478
  C        10.1654418608        2.4749734824        3.3290409991
  C         9.7262367509        3.3736126998        4.3037656611
  C        10.2844728146        3.3105667671        5.5763262858
  C        11.2622412137        2.3480417369        5.8812937477
  C         9.9230247079        4.2971489726        6.6535032855
  F        11.0415038363        4.8790497404        7.1883426060
  F         9.1249240298        5.3280767345        6.2314694222
  F         9.2970232866        3.6779645153        7.7040874090
  C         9.6413325228        2.6922295346        1.9358873243
  F         9.4993376164        1.5261934645        1.2435931457
  F         8.4175086646        3.3331619467        1.9092364689
  F        10.4743501894        3.4690091374        1.1732195751
  C        11.8415286745       -1.0395433963        5.5663175866
  C        11.3373316923       -1.9401657120        4.6089693560
  C        10.3279098601       -2.8575458421        4.9272067293
  C         9.8293007375       -2.9905764914        6.2234142185
  C        10.3335210236       -2.1224311549        7.1909238721
  C        11.3010858355       -1.1679507527        6.8587673629
  C         9.9403396906       -2.2036300226        8.6356418536
  F         9.5876558479       -0.9799623800        9.1637511758
  F         8.9012660007       -3.0547994903        8.8733580706
  F        11.0123813596       -2.6163541325        9.3927828480
  C         9.7597587942       -3.7146105975        3.8452504578
  F         8.8166409121       -4.5732426011        4.3221488184
  F        10.7225364308       -4.4602926617        3.2216338264
  F         9.1434002585       -2.9692984735        2.8586976334
  C        13.8679645141        0.5821706001        6.4005784081
  C        14.3566787594        1.8834304477        6.6090187229
  C        15.3135860806        2.1800333715        7.5935784757
  C        15.8096467040        1.1732359661        8.4168749660
  C        15.4043193336       -0.1387251982        8.1532423934
  C        14.4668074133       -0.4344640213        7.1622882399
  C        16.0253910586       -1.2366912000        8.9442838225
  F        16.0458769497       -0.8862635309       10.2773551620
  F        17.3293235062       -1.4926941344        8.5826954059
  F        15.3732671779       -2.4222175771        8.8090947498
  C        15.8706673045        3.5746784741        7.6614905825
  F        16.4735118315        3.8602065263        8.8588482720
  F        14.9153978953        4.5273179865        7.4149597694
  F        16.8214332704        3.7832877618        6.6784209118
  H        14.0894476089        2.0029723634        3.1837998381
  H        13.9208919947       -2.1086266337        4.4155950609
  H        15.9196288806       -1.0468130006        0.7564472523
  H        11.4767893648        0.7821491025        2.8991000923
  H         8.9723855451        4.1074822809        4.0355662066
  H        11.6848875503        2.3524709551        6.8852283129
  H        11.7388140691       -1.9533326176        3.5959573135
  H         9.1128228760       -3.7769176264        6.4473741103
  H        11.6454173291       -0.5141979109        7.6558143088
  H        13.9949071089        2.6882346852        5.9752002745
  H        16.4977985986        1.3847574652        9.2344791660
  H        14.2166488804       -1.4792545743        6.9836853161
  H        10.6885600127       11.8520434313        4.7636057658
  H        11.7931025582       10.2832772419        3.4018514411
     646
 i =       48, E =         0.0319001173
 Rh         3.6098449827        0.2217150665        4.8260700059
  P         5.3777484731        0.6285836614        6.2722387270
  C         5.2917284273       -0.2654914825        7.8864696530
  C         4.7946080456       -1.7068669640        7.6772606629
  C         4.5125600893       -2.3933397523        9.0203396805
  C         5.6903392809       -2.2180619106        9.9929088567
  C         6.1996659994       -0.7775253892       10.1602318108
  C         6.5298305320       -0.1460327250        8.7978588707
  C         5.6587005869        2.3883596431        6.7679499736
  C         4.6748515068        2.7922324298        7.8958881287
  C         4.5887041425        4.3089930809        8.1504439476
  C         4.5226781065        5.1139965653        6.8513582120
  C         5.7440609788        4.7768329347        5.9941091499
  C         5.5893561915        3.3206476851        5.5418065920
  C         6.9814476496        0.0890329975        5.4783023736
  C         6.9218186243        0.2277223065        3.9548017887
  P         5.2875340541       -0.2438452826        3.2493323939
  C         5.4475023179       -2.0279947474        2.7252637973
  C         4.3020254465       -2.4403119787        1.7839603259
  C         4.3833669292       -3.9219668433        1.4031937629
  C         4.2047594839       -4.7621633732        2.6698879991
  C         5.3159937919       -4.4248448106        3.6730662511
  C         5.3807691027       -2.9161704161        3.9865031223
  C         5.2326416226        0.7357602024        1.6819539122
  C         4.9500599563        2.2400510304        1.9103801430
  C         4.4220260943        2.8254571426        0.5911305417
  C         5.4508746788        2.6124354858       -0.5302812809
  C         5.9273436184        1.1565492616       -0.6649672881
  C         6.4071462231        0.5877472551        0.6849075136
  C         1.8791823318        0.3023372739        3.4548003415
  C         1.8972920380       -0.9587911143        4.0535658197
  C         1.0470712700       -0.8618258728        5.3254531946
  C         1.8835045649        0.0751310475        6.2289184837
  C         1.8334131191        1.3386424059        5.6341737523
  C         0.9893272495        1.1860084460        4.3498590547
  C        -0.0433058979        0.1564450857        4.8915668068
  H         4.4814109843        0.2568681408        8.4188642160
  H         5.5207404637       -2.3081059252        7.1111815817
  H         3.8890999505       -1.6585570907        7.0514682716
  H         4.3557669897       -3.4676392404        8.8433767160
  H         3.5736102503       -2.0173201890        9.4506309564
  H         5.4369709245       -2.6462065519       10.9716567067
  H         6.5310725300       -2.8038934214        9.5996234345
  H         7.1073108312       -0.7944853071       10.7833871886
  H         5.4679608678       -0.1430555123       10.6853106118
  H         6.8205189579        0.9047911805        8.9369415673
  H         7.4080398658       -0.6478713094        8.3738132569
  H         6.6863550968        2.4129698285        7.1624618800
  H         4.9803597770        2.2946286094        8.8267341816
  H         3.6699894653        2.4103696785        7.6656092374
  H         5.4695570061        4.6384491839        8.7195305251
  H         3.7127282707        4.5185006599        8.7804268993
  H         4.4438110472        6.1856400945        7.0704129020
  H         3.6162773286        4.8450620865        6.2874258157
  H         6.6554695425        4.8877060231        6.5994203921
  H         5.8570028170        5.4523367502        5.1377920675
  H         6.3377719987        3.0332853698        4.7901102547
  H         4.6064007488        3.2120144743        5.0538223905
  H         7.8151587635        0.6843695873        5.8741024925
  H         7.1479922495       -0.9534515405        5.7843003210
  H         7.7199003502       -0.3201268298        3.4347066078
  H         7.0235503514        1.2860372830        3.6789727393
  H         6.4252867523       -2.1454136770        2.2270972914
  H         4.2068552268       -1.7963863237        0.9026957381
  H         3.3716312467       -2.3211996222        2.3522201628
  H         5.3457427800       -4.1466837830        0.9201694483
  H         3.6025392611       -4.1574893134        0.6703145249
  H         4.1837217342       -5.8347871638        2.4326262731
  H         3.2160443492       -4.5370998460        3.0985335117
  H         5.1835317028       -4.9690347733        4.6201544616
  H         6.2755943362       -4.7561287247        3.2510790777
  H         6.2277203800       -2.7069596083        4.6542521845
  H         4.4740515982       -2.6114664104        4.5359351503
  H         4.3504167314        0.3127211773        1.1766443346
  H         5.8801375415        2.7562340610        2.1960268692
  H         4.2408919242        2.3992116445        2.7359302071
  H         4.2153249673        3.9014065318        0.6776960347
  H         3.4596233718        2.3416424679        0.3648899992
  H         6.3158287282        3.2479055375       -0.2902858820
  H         5.0566717886        2.9725971803       -1.4905036282
  H         6.7215432745        1.0936784692       -1.4242983145
  H         5.0997660314        0.5237929287       -1.0231440889
  H         7.2787463977        1.1540882645        1.0338687861
  H         6.7406408324       -0.4506839153        0.5644499283
  H         2.2229096991        0.5621319820        2.4579407479
  H         2.2038783669       -1.8995145153        3.6082874328
  H         0.7433176069       -1.8143297594        5.7662916487
  H         2.0581962175       -0.1057998126        7.2858521314
  H         1.9359235570        2.2809422509        6.1679473567
  H         0.6194182348        2.1030222221        3.8844202318
  H        -0.5623738533        0.5553360697        5.7708714707
  H        -0.7678030812       -0.2107955335        4.1609196225
 Rh        14.7252620340       19.6586695956       14.9227951915
  P        12.9077663131       19.1985023309       13.4979327848
  C        13.0565653225       20.2037109396       11.9639407318
  C        13.4843856003       21.6546746715       12.2379895819
  C        13.8192859259       22.3265739870       10.9005774202
  C        12.6765572757       22.2267187239        9.8801035933
  C        12.2691148954       20.7665142877        9.6458574370
  C        11.8961354994       20.0708409425       10.9655836620
  C        12.6105726964       17.4721510261       12.8568173023
  C        13.6372343494       17.0424236014       11.7858477482
  C        13.5603626809       15.5292316773       11.5251419317
  C        13.7896889213       14.7452726835       12.8207927371
  C        12.6697917598       15.0600132666       13.8162995438
  C        12.6378066928       16.5663969436       14.1033421550
  C        11.2977503001       19.6505681869       14.3668961763
  C        11.4583740384       19.7226534349       15.8970914967
  P        13.1288387522       20.1981369686       16.5362578935
  C        12.9719921809       21.9926227642       16.9889287989
  C        13.9815950071       22.4864621350       18.0487835656
  C        14.0296992142       24.0291308149       18.1456276476
  C        14.0698325939       24.7514086656       16.7915759505
  C        12.9156720271       24.2684095754       15.9131500135
  C        13.1331615523       22.7749139361       15.6750807695
  C        13.2859296213       19.2311769823       18.1220114281
  C        13.5398386163       17.7435986315       17.8049267811
  C        14.0351848834       17.0178795919       19.0617116339
  C        13.0352509788       17.1510102750       20.2178223320
  C        12.5964922446       18.6072800091       20.4618623514
  C        12.1717646896       19.3728773491       19.1826359613
  C        16.4020667064       19.6600675255       16.3311024047
  C        16.4511282171       20.8499533497       15.5977138211
  C        17.3548966054       20.5754419696       14.3803572755
  C        16.5016454558       19.5754489269       13.5577900574
  C        16.4674625588       18.3956329739       14.3043367940
  C        17.2937555515       18.6540749862       15.5818747347
  C        18.3881383002       19.5898122455       14.9880513279
  H        13.9411212914       19.7402635942       11.4939576876
  H        12.7255000046       22.2213733757       12.7972828968
  H        14.3809385334       21.6220754312       12.8805842943
  H        14.1253803499       23.3696351161       11.0519392375
  H        14.6917322102       21.7964764354       10.4908461470
  H        12.9978579871       22.6794076677        8.9313510363
  H        11.8010516867       22.7976536588       10.2196095173
  H        11.4338113093       20.7103516111        8.9321678927
  H        13.1136148354       20.2270650469        9.1875518996
  H        11.6689855675       19.0129657346       10.7809576527
  H        10.9811252391       20.5122471177       11.3773874146
  H        11.6058316955       17.4467219820       12.4019949744
  H        13.4766808514       17.5864144293       10.8437042643
  H        14.6554864247       17.2942704560       12.1169810197
  H        12.5673151439       15.2742063344       11.1257738054
  H        14.2913109193       15.2501540724       10.7540166743
  H        13.8666287926       13.6688776944       12.6158210101
  H        14.7541279005       15.0385153436       13.2642386493
  H        11.7055444910       14.7087722546       13.4238009886
  H        12.8315866099       14.5472332056       14.7743495360
  H        11.7824690156       16.8222093772       14.7453305745
  H        13.5469050016       16.8205805872       14.6714715652
  H        10.5401614916       18.8846508183       14.1436661089
  H        10.9138027706       20.5882250171       13.9383522793
  H        10.7001885764       20.3616598884       16.3695761913
  H        11.3358534154       18.7110204270       16.3029809811
  H        11.9423272892       22.1486657190       17.3510441953
  H        13.7284940704       22.0858384703       19.0422829684
  H        14.9774397843       22.0893313901       17.8091603936
  H        13.1319042612       24.3710192649       18.6785667265
  H        14.8863332077       24.3324350857       18.7627576257
  H        14.0406503385       25.8365336211       16.9540999104
  H        15.0131799753       24.5548214932       16.2608815238
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 Rh        12.6740490074        9.6697130998        4.7166904040
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  C        13.2255601350       10.3911222077       16.0933007349
  C        12.7904166725        9.4356878878       17.0355379093
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  C        15.8210918606       11.9884674953       15.2775081987
  C        16.7206790179       12.9823857400       14.8667426969
  C        17.0748750915       13.1224810273       13.5211372001
  C        16.4811972302       12.2736209088       12.5797496497
  C        15.5245548867       11.3369906804       12.9929277844
  C        16.8156057139       12.3895554897       11.1087632127
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  F        15.7415257090       12.8113511678       10.3472989712
  F        17.2332090931       11.1920613371       10.5650678122
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  F        18.1465155005       14.8345818036       15.4068417752
  F        17.8428714195       13.2537780214       16.9435797758
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  C        12.4630994976       10.6554926595       12.8505981559
  C        11.4674795055       10.4160339615       11.8942976212
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  C        11.6062577632        8.0730191883       12.3649744511
  C        12.6474146506        8.3096910596       13.2633416172
  C        11.0258062129        6.6980610458       12.2246631370
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  F        11.9222777259        5.6914773640       12.4643795061
  F        10.0073491854        6.4983662955       13.1298004513
  C        10.9033710299       11.5282382938       11.0532683751
  F         9.7432788074       11.1782478034       10.4130757219
  F        10.6230967780       12.6630942146       11.7462083713
  F        11.7704088820       11.8872884096       10.0513316706
  C        15.1982533946        8.7669753137       15.0917547889
  C        15.8859150785        8.6184357003       16.3133699223
  C        16.8194994240        7.5825395094       16.4772149653
  C        17.0978917749        6.6920511314       15.4430565537
  C        16.4783065982        6.8545239472       14.2182891796
  C        15.5553756268        7.9008123193       14.0434262030
  C        17.4879412973        7.2738933376       17.7764420254
  F        17.6161394473        8.3317590826       18.6276260777
  F        16.7946880749        6.3162208732       18.4798563112
  F        18.7597868456        6.7896090312       17.5433508014
  C        11.3795003921       13.4299787148       17.4331403189
  F        10.7816392674       13.6723497943       18.6295321875
  F        10.4773338619       13.7374514279       16.4304877494
  F        12.3994641767       14.3374803573       17.3066799946
  F        17.6275854831        4.8847486104       13.4899135452
  F        17.3754794609        6.5300699588       12.0290552998
  F        15.6570262843        5.2727235371       12.6135980293
  C        16.7822674539        5.8981855864       13.0948352964
  H        10.6396925642       11.2884992900       18.9588251938
  H        12.9834579824       12.4831888997       15.5679800946
  H        13.1643101321        8.4192489230       16.9768242149
  H        15.6347952024       11.8532483995       16.3433045396
  H        17.7906691965       13.8835451511       13.2250102518
  H        15.0358841776       10.7112625681       12.2500566579
  H        12.7689678606       11.6823905287       13.0529551422
  H        10.1313936263        8.9495586865       11.0389989440
  H        13.1134689917        7.4382102316       13.7217373018
  H        15.7126856625        9.3144774049       17.1325648062
  H        17.8023650526        5.8786672600       15.6096458901
  H        15.1021639282        8.0511191893       13.0699516042
  F         2.7285833722       18.6323206548       20.1516757492
  C         2.7180113598       18.3154616819       18.8073414078
  F         1.4000940177       18.0869633408       18.4830170646
  F         3.3589969276       17.1169036888       18.6419563542
  C         3.3230750367       19.3952646331       17.9590729089
  C         4.1455710405       19.0519227173       16.8769305733
  C         4.6690341377       20.0128177505       15.9842554610
  C         4.2494769228       21.3353890420       16.2050080011
  C         3.4503322094       21.6832587846       17.3007346817
  C         2.9970960170       20.7299312576       18.2095442095
  C         2.9278050736       23.0757596189       17.4322435383
  F         2.3003986632       23.2953938456       18.6230206005
  F         3.9046221589       24.0313048978       17.3045263672
  F         1.9930437563       23.2953375285       16.4310601223
  B         5.6086316906       19.6366278344       14.6841843593
  C         6.6933563917       18.4581410249       14.9822423046
  C         7.3203368201       18.3398522465       16.2328877753
  C         8.2657969146       17.3328955581       16.4701801582
  C         8.6287576126       16.4268923985       15.4802697236
  C         8.0691203904       16.5714990349       14.2137614557
  C         7.1432473128       17.6001382165       13.9653633049
  C         8.4251074554       15.6075858336       13.1152292809
  F         7.3141756264       15.0339815795       12.5419943560
  F         9.2138850918       14.5731465898       13.5631814217
  F         9.1090562910       16.2285518165       12.0985311532
  C         8.7897836586       17.1602934563       17.8542967679
  F         8.9113856656       18.3688042226       18.4884076745
  F        10.0168069600       16.5638318335       17.8939983900
  F         7.9559407243       16.3790473705       18.6271821942
  C         6.6248707757       20.8502469842       14.2831842835
  C         7.1993879480       21.6918561175       15.2524974974
  C         8.1767220196       22.6346890466       14.9148928623
  C         8.6335646322       22.7638878248       13.5995862829
  C         8.0622289537       21.9470574250       12.6215075251
  C         7.0922475401       21.0004828809       12.9666123219
  C         8.4096199073       22.1045655217       11.1670020567
  F         8.8239887621       20.9005202433       10.6307694431
  F         9.3801854590       23.0299444610       10.9295667976
  F         7.3279294456       22.5126013539       10.4153902337
  C         8.6853529629       23.5768631346       15.9649714780
  F         9.5995951402       24.4655539509       15.4773018684
  F         7.6884320430       24.3546408727       16.5041000652
  F         9.2739431098       22.8886561584       17.0116565269
  C         4.5672884957       19.2485276225       13.4744622482
  C         4.0813873940       17.9431296552       13.2753855378
  C         3.1168843235       17.6671156740       12.2891806873
  C         2.6143347897       18.6688912252       11.4665566653
  C         3.0462631992       19.9809219213       11.6741933589
  C         4.0145342902       20.2523633783       12.6529136742
  C         2.4121605421       21.0921196988       10.8788500348
  F         2.3725275552       20.7793152506        9.5348988187
  F         1.1022353893       21.3227243519       11.2589804058
  F         3.0419086119       22.2962216705       10.9985188748
  C         2.5176760694       16.2969446792       12.1878346465
  F         1.9331779492       16.0495281353       10.9853640155
  F         3.4303340749       15.3043123465       12.3979698817
  F         1.5247844614       16.1213048496       13.1295651465
  H         4.3673276497       17.9986708567       16.7294807459
  H         4.5452388896       22.1112974393       15.4978892916
  H         2.3929367385       21.0488709095       19.0551542072
  H         7.0849684972       19.0379533614       17.0323738824
  H         9.3337332876       15.6265094535       15.6990546364
  H         6.7619540035       17.7433589850       12.9568097916
  H         6.8636944481       21.6168756425       16.2869464316
  H         9.3910762083       23.5000612594       13.3555312108
  H         6.6807674558       20.3660983831       12.1839913451
  H         4.4589299145       17.1190735672       13.8793352035
  H         1.9128470380       18.4033796261       10.6744468707
  H         4.3637233558       21.2747063789       12.7599886631
  F        15.6216344438        1.2697722915       -0.2971434455
  C        15.6667138043        1.6416045527        1.0240597936
  F        16.9917654036        1.8938575055        1.3188024287
  F        15.0378503478        2.8420654108        1.1049536170
  C        15.0786466879        0.5914092052        1.9251695751
  C        14.2929076546        0.9410252901        3.0298718857
  C        13.7793490858       -0.0397600137        3.9100902159
  C        14.2196151018       -1.3558214669        3.6896212946
  C        14.9915275361       -1.7117242131        2.5813951755
  C        15.3900275122       -0.7472907843        1.6550614755
  C        15.4613076093       -3.1236397747        2.3951767070
  F        16.0453215226       -3.3164132162        1.1782254326
  F        14.4445904644       -4.0473168029        2.4983920918
  F        16.4073941380       -3.4522982778        3.3603848323
  B        12.8126971012        0.2439029512        5.2063039873
  C        11.7213536330        1.4315496977        4.9158052400
  C        11.1313613655        1.5108642980        3.6361644843
  C        10.1637250381        2.4772932857        3.3306089537
  C         9.7248075738        3.3800543520        4.3051802206
  C        10.2891770560        3.3121388524        5.5785783430
  C        11.2642170346        2.3500345792        5.8777810321
  C         9.9243490666        4.2977852503        6.6541266278
  F        11.0423780225        4.8795966341        7.1890246604
  F         9.1252673199        5.3281056202        6.2318363519
  F         9.2975287226        3.6778748128        7.7040642765
  C         9.6394978722        2.6918425619        1.9365166178
  F         9.4984298487        1.5244513910        1.2450490568
  F         8.4169190975        3.3335784528        1.9092384463
  F        10.4727404328        3.4647946546        1.1707708911
  C        11.8411074266       -1.0366031080        5.5667711583
  C        11.3351697431       -1.9381385777        4.6105969424
  C        10.3292046708       -2.8559969618        4.9282060042
  C         9.8294568390       -2.9886202189        6.2263682682
  C        10.3368568362       -2.1184253168        7.1931451730
  C        11.3026980851       -1.1654897311        6.8603240975
  C         9.9409886018       -2.2026759225        8.6365834284
  F         9.5876132930       -0.9794694050        9.1642443196
  F         8.9017821833       -3.0544063430        8.8733017410
  F        11.0126437562       -2.6163195379        9.3933456123
  C         9.7597758718       -3.7138689009        3.8463597394
  F         8.8165453320       -4.5724609803        4.3223860457
  F        10.7225419686       -4.4598925962        3.2222239065
  F         9.1437293294       -2.9691667450        2.8589177935
  C        13.8675709573        0.5852260604        6.3978733423
  C        14.3581430257        1.8842649750        6.6093437148
  C        15.3126120080        2.1822066905        7.5888352652
  C        15.8141367803        1.1730976930        8.4163954536
  C        15.4035578617       -0.1384901860        8.1502216755
  C        14.4676137819       -0.4327068713        7.1635524472
  C        16.0256170829       -1.2363121898        8.9439096917
  F        16.0457667709       -0.8862366817       10.2770904787
  F        17.3294229044       -1.4927390777        8.5826943250
  F        15.3732115873       -2.4218551174        8.8087933245
  C        15.8712843634        3.5747256588        7.6612639801
  F        16.4735575884        3.8603606827        8.8586484056
  F        14.9154023611        4.5273635668        7.4149067533
  F        16.8216707235        3.7835680820        6.6781348674
  H        14.0845135456        2.0002864609        3.1880669355
  H        13.9250536530       -2.1160534789        4.4123044883
  H        15.9259589904       -1.0409649135        0.7596650344
  H        11.4686955757        0.7894108744        2.8903679523
  H         8.9732251114        4.1140048412        4.0436823404
  H        11.6860840119        2.3489974773        6.8837667761
  H        11.7337668353       -1.9464891551        3.5953603862
  H         9.1101917238       -3.7681530295        6.4544090152
  H        11.6485941055       -0.5084603946        7.6552650467
  H        13.9929723140        2.6921604937        5.9760315552
  H        16.5004376376        1.3875679772        9.2292787475
  H        14.2119204705       -1.4766707467        6.9849543877
  H        10.6930974871       11.8499270723        4.7682676619
  H        11.7845587738       10.2704688966        3.3855516995
     646
 i =       49, E =         0.0434347229
 Rh         3.6110413737        0.2215937919        4.8256077422
  P         5.3792895792        0.6296358492        6.2726732967
  C         5.2875456761       -0.2650532801        7.8859631434
  C         4.7962086085       -1.7082138469        7.6777226978
  C         4.5151816969       -2.3944805596        9.0212781328
  C         5.6928598519       -2.2224361653        9.9943042075
  C         6.1995809936       -0.7806542081       10.1589901790
  C         6.5259927153       -0.1475854055        8.7959805003
  C         5.6607590990        2.3898955912        6.7694942121
  C         4.6747305922        2.7934421039        7.8951200220
  C         4.5886552016        4.3097934973        8.1512436959
  C         4.5227842384        5.1162308039        6.8527008697
  C         5.7424389666        4.7772326707        5.9932989227
  C         5.5904097575        3.3205198219        5.5425466116
  C         6.9835989756        0.0902879906        5.4805348340
  C         6.9254263961        0.2296289855        3.9563925731
  P         5.2884406073       -0.2429133434        3.2513699516
  C         5.4452322788       -2.0275202365        2.7281769110
  C         4.3015669485       -2.4381467691        1.7836872018
  C         4.3826362469       -3.9204582934        1.4051081612
  C         4.2064951227       -4.7615421730        2.6712294984
  C         5.3179359879       -4.4252269653        3.6737264406
  C         5.3813117079       -2.9175025018        3.9886457003
  C         5.2280140814        0.7345401046        1.6823758764
  C         4.9475503228        2.2381427832        1.9103096613
  C         4.4231876044        2.8264006794        0.5910577474
  C         5.4523279954        2.6143415185       -0.5307569568
  C         5.9258224951        1.1567586565       -0.6642587443
  C         6.4018400752        0.5861333807        0.6862638633
  C         1.8778238444        0.3030947579        3.4553368521
  C         1.8968457938       -0.9573129072        4.0550545032
  C         1.0469264465       -0.8600646311        5.3276104407
  C         1.8850522878        0.0756448387        6.2302619132
  C         1.8369485388        1.3385716093        5.6344682661
  C         0.9897574823        1.1872919896        4.3520353957
  C        -0.0432211093        0.1569746891        4.8911986133
  H         4.4757672740        0.2592222649        8.4143525873
  H         5.5273364140       -2.3032413587        7.1114642766
  H         3.8894817168       -1.6664169305        7.0535790401
  H         4.3517125367       -3.4682064727        8.8467135831
  H         3.5782767087       -2.0115997685        9.4501343598
  H         5.4370598044       -2.6491305171       10.9733761097
  H         6.5332212149       -2.8110866539        9.6044229971
  H         7.1067625619       -0.7919594762       10.7829305360
  H         5.4635899945       -0.1501807666       10.6828648501
  H         6.8182635098        0.9029057664        8.9337028183
  H         7.4011524863       -0.6496318719        8.3655018471
  H         6.6881355083        2.4199780319        7.1647162887
  H         4.9771337769        2.2957337523        8.8268579421
  H         3.6705278476        2.4117898746        7.6614695304
  H         5.4696729664        4.6385794833        8.7205131140
  H         3.7136219111        4.5161602005        8.7837793370
  H         4.4468090872        6.1882161159        7.0720004838
  H         3.6154382144        4.8503209864        6.2889627237
  H         6.6558651643        4.8892409023        6.5954389107
  H         5.8528332401        5.4502958824        5.1347726299
  H         6.3424206039        3.0354826751        4.7935035749
  H         4.6091029034        3.2069920961        5.0523810679
  H         7.8172386661        0.6826623228        5.8816545695
  H         7.1491664781       -0.9533629806        5.7831003597
  H         7.7246145271       -0.3206560406        3.4405174683
  H         7.0302343859        1.2872844823        3.6784936249
  H         6.4212516958       -2.1447724180        2.2268151751
  H         4.2164118121       -1.7964659843        0.8995573961
  H         3.3660479178       -2.3141605486        2.3427067422
  H         5.3450839270       -4.1465060953        0.9230472952
  H         3.6008651073       -4.1542002682        0.6726787658
  H         4.1886972975       -5.8342365127        2.4345974684
  H         3.2182600818       -4.5382378893        3.1017252562
  H         5.1824491279       -4.9710028429        4.6194181325
  H         6.2790487687       -4.7550488193        3.2540138479
  H         6.2301673168       -2.7100455728        4.6545072376
  H         4.4750602395       -2.6171313366        4.5409590109
  H         4.3439133404        0.3149048591        1.1772580635
  H         5.8780713719        2.7528281746        2.1966857806
  H         4.2370325113        2.3957321940        2.7349024326
  H         4.2133868978        3.9011652675        0.6851293196
  H         3.4625816798        2.3420862529        0.3580256641
  H         6.3207160532        3.2472707409       -0.2965661597
  H         5.0557962939        2.9740119098       -1.4904176064
  H         6.7241096351        1.0929700613       -1.4189679790
  H         5.0983960975        0.5259661812       -1.0264813342
  H         7.2729707690        1.1519415563        1.0372779485
  H         6.7348710360       -0.4526025302        0.5672596407
  H         2.2132265606        0.5612312229        2.4548797070
  H         2.2023587693       -1.8987162246        3.6100947699
  H         0.7421143958       -1.8123282092        5.7680435876
  H         2.0666674625       -0.1101673870        7.2852479288
  H         1.9516727165        2.2834402998        6.1611258519
  H         0.6201616236        2.1057456904        3.8892532564
  H        -0.5699635793        0.5547640895        5.7664554723
  H        -0.7613729024       -0.2139335857        4.1558583232
 Rh        14.7245988047       19.6568330292       14.9259886073
  P        12.9099010716       19.1983293043       13.5002437348
  C        13.0593304192       20.2022029491       11.9643067305
  C        13.4857857631       21.6540880400       12.2356349902
  C        13.8215702376       22.3277496166       10.8987988313
  C        12.6778741410       22.2283029459        9.8790669380
  C        12.2692953722       20.7677628395        9.6469499961
  C        11.8976290804       20.0721445329       10.9672723764
  C        12.6119133699       17.4716139011       12.8610577746
  C        13.6378251388       17.0420389261       11.7888060711
  C        13.5617033075       15.5290349381       11.5252877882
  C        13.7898912275       14.7446547329       12.8209382073
  C        12.6706856574       15.0597998933       13.8172318164
  C        12.6381432884       16.5654632810       14.1076485619
  C        11.2992392160       19.6489116879       14.3671838280
  C        11.4539518328       19.7182656204       15.8982385652
  P        13.1262457236       20.1959013007       16.5355793126
  C        12.9723785943       21.9913551835       16.9873530939
  C        13.9822699282       22.4854573167       18.0469514506
  C        14.0281238667       24.0278117440       18.1461693256
  C        14.0701536140       24.7510394482       16.7928330759
  C        12.9169041825       24.2695343321       15.9121511876
  C        13.1300735070       22.7752886337       15.6734072746
  C        13.2880807354       19.2312093307       18.1206784448
  C        13.5408845669       17.7433835112       17.8050884542
  C        14.0356660763       17.0188080509       19.0626991995
  C        13.0340139691       17.1516640486       20.2182811716
  C        12.5971135801       18.6087668147       20.4620291841
  C        12.1752090273       19.3732565861       19.1819172360
  C        16.4039241080       19.6593002324       16.3332203224
  C        16.4513117576       20.8493141463       15.5983500503
  C        17.3533352101       20.5743730232       14.3799208302
  C        16.4996171840       19.5755828879       13.5575563741
  C        16.4649499025       18.3947392323       14.3035353906
  C        17.2927107703       18.6526797082       15.5804591073
  C        18.3866728609       19.5890467933       14.9885327461
  H        13.9410701402       19.7339470896       11.4938677167
  H        12.7206806225       22.2174055047       12.7899614814
  H        14.3791541485       21.6281077088       12.8828302131
  H        14.1251959259       23.3713576751       11.0523350248
  H        14.6964363552       21.8022845578       10.4879363730
  H        12.9970149279       22.6828638772        8.9302264226
  H        11.8034902286       22.7996104688       10.2208184660
  H        11.4311789169       20.7085456539        8.9367754528
  H        13.1127276123       20.2275613326        9.1875595282
  H        11.6691856585       19.0149294988       10.7809879225
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 Rh        12.6727250726        9.6783801625        4.7161826436
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  F        11.2161359477        9.0161299682       20.2322896566
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  C        11.8502713989       12.0135755869       17.3121706840
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  C        13.2260351676       10.3879751401       16.0917570088
  C        12.7889397464        9.4336832970       17.0342407011
  B        14.1475418389        9.9783655315       14.7927213147
  C        15.1637944777       11.1730726333       14.3394767610
  C        15.8191967284       11.9920404999       15.2735632024
  C        16.7198849100       12.9840518996       14.8647930546
  C        17.0761715402       13.1249534880       13.5189023788
  C        16.4814009320       12.2741823350       12.5779215804
  C        15.5263291827       11.3378013997       12.9900450330
  C        16.8162923139       12.3904245929       11.1078532843
  F        17.8074303861       13.2807227175       10.8580784120
  F        15.7417895480       12.8117104788       10.3468241944
  F        17.2333032435       11.1921811634       10.5648703610
  C        17.2447981787       13.9322857313       15.9051350915
  F        16.2477163296       14.6693059009       16.4966647950
  F        18.1466885451       14.8349320413       15.4068034954
  F        17.8424653746       13.2537360972       16.9429275830
  C        13.0761897395        9.6178475903       13.5830738845
  C        12.4616653837       10.6571697636       12.8525259314
  C        11.4626699389       10.4148541944       11.8978394875
  C        10.9901253440        9.1207142593       11.6798800404
  C        11.6050143633        8.0728770397       12.3666010002
  C        12.6455244067        8.3116753661       13.2689232871
  C        11.0262096111        6.6977479787       12.2256338103
  F        10.4952151640        6.4929753841       10.9910307876
  F        11.9223655465        5.6912494081       12.4645184700
  F        10.0071881050        6.4982783078       13.1299844619
  C        10.9023519623       11.5286685643       11.0554490223
  F         9.7433901717       11.1783931249       10.4139073436
  F        10.6226495281       12.6636333543       11.7480050237
  F        11.7688990936       11.8862540238       10.0508657917
  C        15.1982503521        8.7657975790       15.0884302637
  C        15.8866207772        8.6127245677       16.3117464750
  C        16.8171741203        7.5828745849       16.4770108335
  C        17.1017448793        6.6859499271       15.4442907367
  C        16.4768285912        6.8535865200       14.2154604049
  C        15.5590291345        7.8964044843       14.0428095699
  C        17.4881215738        7.2727590980       17.7763656952
  F        17.6156255534        8.3315664146       18.6271889373
  F        16.7947386257        6.3158594344       18.4802619640
  F        18.7600289767        6.7897469409       17.5438996607
  C        11.3799641627       13.4293032316       17.4324214512
  F        10.7821192141       13.6718238518       18.6290023234
  F        10.4774463486       13.7373639506       16.4303199907
  F        12.3995858821       14.3373524630       17.3065360855
  F        17.6265599652        4.8774733058       13.4892590116
  F        17.3755954798        6.5292650338       12.0297513358
  F        15.6567962249        5.2725954507       12.6134266331
  C        16.7835474270        5.8942871061       13.0953401934
  H        10.6449492595       11.2883966649       18.9587005162
  H        12.9904269813       12.4811291001       15.5677929193
  H        13.1628966489        8.4155160232       16.9731136716
  H        15.6281233839       11.8592386657       16.3389733948
  H        17.7901949784       13.8856513196       13.2215659706
  H        15.0396699765       10.7115618028       12.2449222467
  H        12.7666068834       11.6845676358       13.0489412365
  H        10.1367130586        8.9458214699       11.0321402770
  H        13.1106379258        7.4433602960       13.7320715505
  H        15.7086608987        9.3083917599       17.1330874520
  H        17.8019188116        5.8759631898       15.6073394462
  H        15.1050491663        8.0462536778       13.0661452378
  F         2.7296532579       18.6321841503       20.1514608274
  C         2.7224587694       18.3165508093       18.8066780791
  F         1.4043654762       18.0950739586       18.4801816110
  F         3.3563719901       17.1126198092       18.6416813505
  C         3.3287686183       19.3927757478       17.9577892077
  C         4.1488439364       19.0500691524       16.8744311347
  C         4.6696541909       20.0123380487       15.9832418460
  C         4.2487699413       21.3348450082       16.2058376139
  C         3.4474999632       21.6810378918       17.3011251422
  C         2.9963744862       20.7262252272       18.2078747959
  C         2.9268474810       23.0747908062       17.4324947473
  F         2.3002066519       23.2951302669       18.6232667076
  F         3.9042837058       24.0305393099       17.3045855216
  F         1.9927982772       23.2953081310       16.4310160177
  B         5.6086652206       19.6373471975       14.6832476499
  C         6.6910515367       18.4564472555       14.9813432291
  C         7.3185807066       18.3341736732       16.2317574844
  C         8.2617865922       17.3320996703       16.4715459191
  C         8.6309359308       16.4227578503       15.4802729712
  C         8.0675297392       16.5711098571       14.2128963634
  C         7.1424547446       17.5949845703       13.9653509340
  C         8.4254973882       15.6067939310       13.1153991390
  F         7.3142041725       15.0339135295       12.5418847752
  F         9.2141415233       14.5726980488       13.5630070472
  F         9.1090071036       16.2285465999       12.0986129622
  C         8.7890303631       17.1579736592       17.8543826238
  F         8.9109587944       18.3677751032       18.4879139255
  F        10.0168476919       16.5634950596       17.8941060797
  F         7.9552505689       16.3791702866       18.6279622440
  C         6.6236047167       20.8524166592       14.2820722417
  C         7.1981819315       21.6954820120       15.2502320601
  C         8.1749349013       22.6390155523       14.9119873430
  C         8.6313919402       22.7678137294       13.5967204032
  C         8.0606261816       21.9493699831       12.6201671408
  C         7.0906293618       21.0026190413       12.9653944545
  C         8.4092095944       22.1047543446       11.1662648463
  F         8.8239349008       20.9004286028       10.6307888511
  F         9.3801596021       23.0299477982       10.9293355635
  F         7.3277609903       22.5127072599       10.4148093544
  C         8.6848699736       23.5781150848       15.9640505361
  F         9.5997738046       24.4660650922       15.4771940078
  F         7.6882965202       24.3551380213       16.5042275446
  F         9.2735903417       22.8888224388       17.0107214412
  C         4.5662045025       19.2510082192       13.4751868301
  C         4.0784613065       17.9459261419       13.2737498868
  C         3.1167266713       17.6682739652       12.2905857699
  C         2.6111202387       18.6714425060       11.4652187520
  C         3.0479198322       19.9842811741       11.6760419561
  C         4.0122801276       20.2548647622       12.6529771422
  C         2.4120334732       21.0924483627       10.8785269945
  F         2.3725576638       20.7794003338        9.5347181507
  F         1.1021886531       21.3228697150       11.2580971061
  F         3.0421544326       22.2963872544       10.9983657188
  C         2.5169105444       16.2980011505       12.1872601877
  F         1.9330597812       16.0496055048       10.9850746893
  F         3.4301984686       15.3052190196       12.3978401373
  F         1.5247398745       16.1213695080       13.1295634526
  H         4.3716549023       17.9968020337       16.7252923910
  H         4.5461504869       22.1120770977       15.5019347563
  H         2.3898319175       21.0374126393       19.0550047461
  H         7.0797025139       19.0339900301       17.0320988717
  H         9.3334517928       15.6252137521       15.6974149035
  H         6.7591257760       17.7340650866       12.9558432567
  H         6.8673352205       21.6197722044       16.2860675060
  H         9.3902566770       23.5023207546       13.3503051763
  H         6.6814364344       20.3674035655       12.1823390445
  H         4.4572115740       17.1227469663       13.8808578510
  H         1.9071061091       18.4130086234       10.6778501133
  H         4.3600130149       21.2790015410       12.7638660940
  F        15.6212470642        1.2698530505       -0.2963463216
  C        15.6666070616        1.6427933676        1.0251720777
  F        16.9919022870        1.8939938849        1.3190321141
  F        15.0382079733        2.8436047880        1.1049392724
  C        15.0778041444        0.5915394089        1.9250351436
  C        14.2886270945        0.9389969782        3.0305221499
  C        13.7771259137       -0.0440484600        3.9086878455
  C        14.2179218934       -1.3594091299        3.6881476530
  C        14.9922489714       -1.7119245479        2.5780572948
  C        15.3906727654       -0.7453634808        1.6565260360
  C        15.4616448675       -3.1238390825        2.3943287882
  F        16.0455702441       -3.3165597218        1.1776866256
  F        14.4448315736       -4.0473078594        2.4982767827
  F        16.4074474567       -3.4522375139        3.3600534575
  B        12.8124404614        0.2446570844        5.2043871869
  C        11.7235345042        1.4342806630        4.9112343493
  C        11.1305909116        1.5152886240        3.6336805909
  C        10.1602947370        2.4823095999        3.3318024107
  C         9.7258167336        3.3842357531        4.3079207243
  C        10.2916242468        3.3150834171        5.5782272875
  C        11.2678564482        2.3509514422        5.8757488061
  C         9.9260275076        4.2984051655        6.6552640861
  F        11.0433181564        4.8803218501        7.1897433954
  F         9.1256296013        5.3280538111        6.2321163279
  F         9.2979456361        3.6778795141        7.7040479816
  C         9.6376585441        2.6915158077        1.9366093797
  F         9.4975059278        1.5226152416        1.2461109600
  F         8.4159244377        3.3338274527        1.9091361438
  F        10.4707424838        3.4636296573        1.1699248654
  C        11.8402736895       -1.0338789567        5.5674891879
  C        11.3339369269       -1.9349555228        4.6115165183
  C        10.3287544233       -2.8552960186        4.9305012526
  C         9.8311854700       -2.9846973414        6.2289131506
  C        10.3388073960       -2.1158933387        7.1948229693
  C        11.3053327241       -1.1616777621        6.8619520593
  C         9.9418172249       -2.2014408025        8.6376550161
  F         9.5874769696       -0.9789779768        9.1647734772
  F         8.9023041335       -3.0540189045        8.8731304981
  F        11.0128445149       -2.6163229817        9.3939396108
  C         9.7599456841       -3.7129871362        3.8472875389
  F         8.8165573773       -4.5717617136        4.3228370788
  F        10.7224275610       -4.4594565019        3.2227260751
  F         9.1438973289       -2.9690749647        2.8591633730
  C        13.8681441391        0.5867419594        6.3964377754
  C        14.3574818555        1.8867152279        6.6068827154
  C        15.3147415606        2.1821272546        7.5882251029
  C        15.8156001658        1.1741704872        8.4117741040
  C        15.4052750178       -0.1371884036        8.1497346755
  C        14.4658742890       -0.4305780661        7.1620990588
  C        16.0255282806       -1.2359767663        8.9431309159
  F        16.0455888740       -0.8859434667       10.2766044893
  F        17.3294254700       -1.4926574302        8.5827155539
  F        15.3732047704       -2.4215319131        8.8086031541
  C        15.8715804750        3.5752855420        7.6604719861
  F        16.4735397612        3.8602763635        8.8584203679
  F        14.9154652235        4.5275993774        7.4149247673
  F        16.8220055132        3.7838372581        6.6779136143
  H        14.0792662713        1.9966996603        3.1923485905
  H        13.9292356485       -2.1231662768        4.4083628242
  H        15.9334798575       -1.0354215522        0.7618543580
  H        11.4603433997        0.7974565275        2.8818859641
  H         8.9731929223        4.1217782125        4.0515820785
  H        11.6873332245        2.3453842139        6.8816318515
  H        11.7282023542       -1.9393156133        3.5952126229
  H         9.1069445706       -3.7597862253        6.4617483522
  H        11.6518026103       -0.5027561138        7.6546480026
  H        13.9914295446        2.6953376447        5.9776480498
  H        16.5045484417        1.3905333810        9.2250757689
  H        14.2071236611       -1.4737622634        6.9865298442
  H        10.6982191516       11.8475885461        4.7729405509
  H        11.7755165916       10.2566611054        3.3681340425
     646
 i =       50, E =         0.0383631047
 Rh         3.6122649897        0.2224553713        4.8247427835
  P         5.3803937387        0.6308331186        6.2730779706
  C         5.2829438291       -0.2647530270        7.8854027640
  C         4.7975486306       -1.7098273350        7.6779357154
  C         4.5177194075       -2.3956699077        9.0221707492
  C         5.6955247541       -2.2269240251        9.9953371411
  C         6.1992474868       -0.7838555867       10.1576348466
  C         6.5219313971       -0.1492183582        8.7941830306
  C         5.6627516918        2.3913937340        6.7712291060
  C         4.6745546280        2.7946105399        7.8945848165
  C         4.5888056123        4.3106292653        8.1520867247
  C         4.5228841808        5.1183215553        6.8539764008
  C         5.7406192356        4.7778555414        5.9922142384
  C         5.5916838509        3.3204252249        5.5433093637
  C         6.9853908366        0.0912530904        5.4827951424
  C         6.9289517904        0.2312584582        3.9580812329
  P         5.2895123545       -0.2419490078        3.2535920445
  C         5.4430464140       -2.0271051366        2.7314859322
  C         4.3014009482       -2.4360062153        1.7834994301
  C         4.3817523954       -3.9189999063        1.4071813248
  C         4.2083598651       -4.7610618898        2.6728150306
  C         5.3198763731       -4.4258360693        3.6749490228
  C         5.3817621129       -2.9187473669        3.9911386181
  C         5.2232422335        0.7331572228        1.6831622361
  C         4.9447735587        2.2363527574        1.9105161095
  C         4.4244619306        2.8272805962        0.5909604161
  C         5.4543035804        2.6160959474       -0.5309062047
  C         5.9247851067        1.1570172866       -0.6636467944
  C         6.3962768041        0.5843139469        0.6875082852
  C         1.8765041893        0.3036947589        3.4559255731
  C         1.8964902691       -0.9558700181        4.0567499679
  C         1.0469625362       -0.8583775031        5.3301114420
  C         1.8866769146        0.0765104526        6.2314234140
  C         1.8406268459        1.3389843010        5.6351816301
  C         0.9903336593        1.1887557707        4.3543042292
  C        -0.0429653250        0.1576549966        4.8909824636
  H         4.4697618861        0.2605712372        8.4105512770
  H         5.5336591555       -2.2993313339        7.1124981368
  H         3.8903986748       -1.6751175708        7.0544172758
  H         4.3474494533       -3.4684935153        8.8495529448
  H         3.5837495094       -2.0058482228        9.4510340040
  H         5.4371296999       -2.6513921873       10.9749329069
  H         6.5354505809       -2.8187533982        9.6092581731
  H         7.1060729896       -0.7894170657       10.7819976106
  H         5.4592900487       -0.1573140841       10.6803344230
  H         6.8158631066        0.9007603387        8.9315259541
  H         7.3936729495       -0.6520129148        8.3580253517
  H         6.6896222329        2.4258234433        7.1673969219
  H         4.9736057036        2.2963425827        8.8270326093
  H         3.6710121810        2.4139695691        7.6569942153
  H         5.4700396328        4.6385106884        8.7214613184
  H         3.7145511159        4.5149172463        8.7862655993
  H         4.4504716823        6.1904773296        7.0740635755
  H         3.6141452270        4.8560845452        6.2910088833
  H         6.6558637197        4.8916744020        6.5910124243
  H         5.8479568846        5.4487559427        5.1316904346
  H         6.3472291429        3.0375977806        4.7971266614
  H         4.6122692315        3.2022140261        5.0506475129
  H         7.8190667977        0.6808709403        5.8881517846
  H         7.1498954132       -0.9533820694        5.7824805124
  H         7.7290952856       -0.3214395479        3.4460277777
  H         7.0373073717        1.2881240067        3.6785575329
  H         6.4177983465       -2.1445131918        2.2277667970
  H         4.2272554285       -1.7967642663        0.8963118634
  H         3.3611819539       -2.3061879840        2.3326758016
  H         5.3441990841       -4.1454219012        0.9249760482
  H         3.5995277235       -4.1520213340        0.6751657311
  H         4.1929406374       -5.8337732914        2.4355682877
  H         3.2207691409       -4.5399969002        3.1058664538
  H         5.1824008312       -4.9729158750        4.6194494838
  H         6.2820479612       -4.7548206080        3.2565619418
  H         6.2325449702       -2.7121940988        4.6552088634
  H         4.4765363193       -2.6218171382        4.5466793010
  H         4.3372463694        0.3150282714        1.1799245374
  H         5.8755327914        2.7492721620        2.1987786452
  H         4.2324979283        2.3932497983        2.7337452521
  H         4.2124216675        3.9009577397        0.6906904194
  H         3.4656554618        2.3428723549        0.3517966230
  H         6.3247787430        3.2474100734       -0.3014487751
  H         5.0553244826        2.9748025951       -1.4901499800
  H         6.7265085863        1.0918753060       -1.4144246244
  H         5.0974830798        0.5284856316       -1.0298824319
  H         7.2668124517        1.1492209629        1.0411182608
  H         6.7282506183       -0.4549422632        0.5691890160
  H         2.2035473490        0.5599893464        2.4523094978
  H         2.2005498770       -1.8981407667        3.6117973634
  H         0.7410263118       -1.8101648026        5.7703093081
  H         2.0759241386       -0.1137455818        7.2846405120
  H         1.9683919640        2.2852693432        6.1544691865
  H         0.6212542858        2.1085879417        3.8942307627
  H        -0.5772725708        0.5540599051        5.7616363002
  H        -0.7542310103       -0.2165841458        4.1502925159
 Rh        14.7239022856       19.6545282821       14.9296283604
  P        12.9122899464       19.1982945977       13.5025254861
  C        13.0627497401       20.2005392570       11.9643602199
  C        13.4872280806       21.6536732405       12.2333142429
  C        13.8239857271       22.3289519941       10.8969931618
  C        12.6791776153       22.2298761645        9.8782451096
  C        12.2695617658       20.7689584090        9.6480564122
  C        11.8994309626       20.0731227498       10.9689327751
  C        12.6135510617       17.4711470425       12.8656268348
  C        13.6383204112       17.0417507369       11.7919808380
  C        13.5628009475       15.5290032317       11.5259022806
  C        13.7899787981       14.7436920602       12.8211427901
  C        12.6715738727       15.0593771373       13.8181677264
  C        12.6391401184       16.5643375863       14.1120752424
  C        11.3006232362       19.6475815971       14.3670052722
  C        11.4497680354       19.7140126920       15.8988978813
  P        13.1237440265       20.1936656529       16.5349187718
  C        12.9723091205       21.9901755326       16.9856073364
  C        13.9831165112       22.4842615997       18.0447139957
  C        14.0266387887       24.0263667142       18.1469113167
  C        14.0705305624       24.7505256736       16.7943314989
  C        12.9181688817       24.2706887101       15.9113491492
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 Rh        12.6713103430        9.6882836080        4.7154217381
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  H         5.0253784010        7.3508338421        3.9516978697
  H         5.4068526834       11.5340991652        3.0229319462
  H         2.6859602659        7.9969904362        3.5690445650
  H         0.6283521072        5.9820832387        6.7749452516
  H         3.4389889801        9.1271321670        7.6389212613
  H         5.7019601109        8.1362824309        6.6915026243
  H         8.0471298478       10.8672057317        9.0409437326
  H         5.3479454472       12.3639755019        6.0421660000
  H         2.8528489066       10.5694483745        2.7541773085
  H         0.6082222229       13.9994888831        4.0519937030
  H         3.0931941429       11.8677749092        6.8454273940
  F         9.9816878780        8.3887740831       18.4874588118
  C        11.2708879866        8.6583340222       18.8928715930
  F        11.9341730251        7.4725514915       18.8449169387
  F        11.2152224475        9.0165151505       20.2306741924
  C        11.8681732367        9.7379430913       18.0394042347
  C        11.3829838770       11.0426401091       18.1953070664
  C        11.8520033665       12.0123074954       17.3108653254
  C        12.7221783717       11.6871372254       16.2634536842
  C        13.2273655695       10.3849021393       16.0908490434
  C        12.7885290103        9.4321071336       17.0321432254
  B        14.1488923834        9.9780802876       14.7910811816
  C        15.1635252674       11.1736857357       14.3360906394
  C        15.8166132703       11.9958072954       15.2700741019
  C        16.7189165618       12.9863104606       14.8624950078
  C        17.0768471583       13.1271873964       13.5169273797
  C        16.4819084687       12.2751635939       12.5763329488
  C        15.5279745341       11.3382353708       12.9873402443
  C        16.8172019253       12.3911699558       11.1068389727
  F        17.8087499952       13.2811319011       10.8575863096
  F        15.7419877228       12.8119653878       10.3463374102
  F        17.2333891489       11.1923132468       10.5646357557
  C        17.2445059124       13.9329419304       15.9043840687
  F        16.2475651823       14.6694886434       16.4965891245
  F        18.1468565183       14.8351176153       15.4066723943
  F        17.8421183695       13.2537531850       16.9422516681
  C        13.0752384160        9.6195424338       13.5845035445
  C        12.4590697166       10.6587429738       12.8544338951
  C        11.4595767496       10.4160851451       11.8983503845
  C        10.9909996284        9.1205828452       11.6807940966
  C        11.6044977546        8.0729060753       12.3687444111
  C        12.6430383265        8.3131716675       13.2742674336
  C        11.0266287976        6.6973462327       12.2264028667
  F        10.4953411079        6.4931157003       10.9913816453
  F        11.9225606948        5.6907836289       12.4645960422
  F        10.0070046462        6.4980509512       13.1301940266
  C        10.9036813979       11.5286116248       11.0509669173
  F         9.7412150692       11.1781873144       10.4138973473
  F        10.6252766930       12.6641638642       11.7468018052
  F        11.7643669206       11.8859038269       10.0509743752
  C        15.1989802365        8.7633573204       15.0851271420
  C        15.8857594152        8.6085204153       16.3106387919
  C        16.8168707695        7.5798633047       16.4761508003
  C        17.1029585461        6.6825081727       15.4439278601
  C        16.4781745594        6.8500755246       14.2154759623
  C        15.5616220704        7.8925085861       14.0403539889
  C        17.4881991496        7.2717135024       17.7761840757
  F        17.6158656532        8.3311777638       18.6268196378
  F        16.7936520175        6.3163468967       18.4805407371
  F        18.7606206407        6.7893167808       17.5435775594
  C        11.3805859277       13.4287599804       17.4316789688
  F        10.7824287174       13.6715040976       18.6286624857
  F        10.4775330642       13.7372784157       16.4302263625
  F        12.3997292283       14.3374335628       17.3063960601
  F        17.6277485072        4.8792764860       13.4900736524
  F        17.3758530462        6.5277186854       12.0306053847
  F        15.6564846933        5.2717747529       12.6131590539
  C        16.7845349811        5.8894034010       13.0956498581
  H        10.6499611332       11.2887224328       18.9594300933
  H        12.9971714206       12.4783098795       15.5678252289
  H        13.1604993833        8.4117603875       16.9693167888
  H        15.6210091530       11.8657099757       16.3345849067
  H        17.7898786135       13.8877810250       13.2183161953
  H        15.0438053299       10.7117373125       12.2401517619
  H        12.7644151988       11.6866007480       13.0457608107
  H        10.1426742592        8.9417131073       11.0256647926
  H        13.1067201843        7.4482008708       13.7432788306
  H        15.7041966715        9.3017788974       17.1326649652
  H        17.8024305609        5.8724562834       15.6064547164
  H        15.1080569516        8.0412310897       13.0629571426
  F         2.7304829900       18.6324092917       20.1508358115
  C         2.7262366561       18.3133188177       18.8064205838
  F         1.4087293496       18.0791154916       18.4834973518
  F         3.3549571229       17.1068971083       18.6409279478
  C         3.3359603952       19.3905145826       17.9576738019
  C         4.1532958485       19.0487266826       16.8717022968
  C         4.6705980372       20.0120792234       15.9816811211
  C         4.2488673417       21.3348716356       16.2064563234
  C         3.4456661142       21.6791536341       17.3016641160
  C         2.9968059886       20.7231825064       18.2064897021
  C         2.9262076288       23.0741570962       17.4325890367
  F         2.3001947087       23.2949240277       18.6231985344
  F         3.9040568303       24.0298196534       17.3045175839
  F         1.9927824959       23.2952185801       16.4309738161
  B         5.6091349802       19.6381906677       14.6818584345
  C         6.6895519798       18.4543324429       14.9802682362
  C         7.3159312477       18.3295166224       16.2306414489
  C         8.2593858604       17.3295595264       16.4715145003
  C         8.6307237405       16.4201986257       15.4798485506
  C         8.0666426747       16.5690788279       14.2134144767
  C         7.1401464957       17.5907386770       13.9642732976
  C         8.4256139388       15.6060550741       13.1152726662
  F         7.3141762239       15.0337460258       12.5416218734
  F         9.2142722137       14.5724256804       13.5628920045
  F         9.1089722068       16.2285419871       12.0986761993
  C         8.7888634977       17.1594389345       17.8540995511
  F         8.9119051869       18.3691402691       18.4871526481
  F        10.0160153098       16.5632421104       17.8942504339
  F         7.9544377753       16.3811231042       18.6286003155
  C         6.6227651124       20.8542618574       14.2807810831
  C         7.1976846087       21.6986707292       15.2480440323
  C         8.1738722739       22.6426382452       14.9091685086
  C         8.6292696067       22.7717575374       13.5939163801
  C         8.0589088160       21.9519567338       12.6186256589
  C         7.0892548513       21.0046672841       12.9636519600
  C         8.4089873603       22.1053963499       11.1654094697
  F         8.8239649852       20.9007418232       10.6307372927
  F         9.3804235859       23.0301116176       10.9290343072
  F         7.3277245092       22.5129887265       10.4141323392
  C         8.6847217496       23.5790883713       15.9630925217
  F         9.6001216597       24.4664574764       15.4769999316
  F         7.6883707227       24.3555824996       16.5042047596
  F         9.2734063805       22.8889039377       17.0098963346
  C         4.5652574339       19.2537014306       13.4750193133
  C         4.0762522662       17.9487427817       13.2726120811
  C         3.1155158431       17.6704446303       12.2909064958
  C         2.6082815348       18.6744804698       11.4653189813
  C         3.0479585506       19.9871967440       11.6775599776
  C         4.0103990832       20.2581984451       12.6535033187
  C         2.4116639805       21.0939271549       10.8786467127
  F         2.3725284715       20.7796768824        9.5348007166
  F         1.1019402780       21.3234605811       11.2588293423
  F         3.0418797839       22.2983836848       10.9980235768
  C         2.5163227817       16.2989474622       12.1868553299
  F         1.9330606635       16.0498722270       10.9848305284
  F         3.4300637669       15.3061228105       12.3976316662
  F         1.5247298127       16.1215174214       13.1294260094
  H         4.3765209854       17.9950010249       16.7210978902
  H         4.5471760753       22.1131262949       15.5056094287
  H         2.3867242849       21.0267285404       19.0536625598
  H         7.0742082214       19.0288432908       17.0315669709
  H         9.3340266514       15.6238497111       15.6963838800
  H         6.7554466455       17.7249745819       12.9550674330
  H         6.8701876654       21.6229075062       16.2845718306
  H         9.3887204723       23.5052835081       13.3451403153
  H         6.6816230731       20.3687412136       12.1808103892
  H         4.4548142408       17.1264691365       13.8816757095
  H         1.9013187822       18.4211672411       10.6811618734
  H         4.3561811046       21.2831808588       12.7676533514
  F        15.6200464665        1.2703341991       -0.2959700586
  C        15.6651704366        1.6440497713        1.0259023483
  F        16.9914519623        1.8938268781        1.3183641598
  F        15.0381578991        2.8455025242        1.1050832811
  C        15.0770535804        0.5920545537        1.9256476151
  C        14.2854913292        0.9367204540        3.0302690019
  C        13.7757015762       -0.0481615322        3.9074236467
  C        14.2170017256       -1.3631303760        3.6862944994
  C        14.9929983243       -1.7120229737        2.5757505189
  C        15.3925595695       -0.7435041634        1.6571148882
  C        15.4622227700       -3.1240586776        2.3931665056
  F        16.0457167208       -3.3167752724        1.1771647972
  F        14.4449255216       -4.0471480016        2.4980789509
  F        16.4076466996       -3.4522028752        3.3596977674
  B        12.8122021033        0.2454250214        5.2023423856
  C        11.7245072841        1.4369547365        4.9069552301
  C        11.1285057476        1.5200200952        3.6306117022
  C        10.1581639258        2.4877559036        3.3310686676
  C         9.7259757822        3.3881609430        4.3088843783
  C        10.2939665307        3.3169460672        5.5777833574
  C        11.2708834858        2.3520498103        5.8738725734
  C         9.9274908563        4.2991106819        6.6561454071
  F        11.0444767233        4.8810565950        7.1903698646
  F         9.1259538607        5.3280219585        6.2324593309
  F         9.2982120301        3.6780477516        7.7040005177
  C         9.6350032194        2.6931892038        1.9363947561
  F         9.4978320589        1.5222524504        1.2459679796
  F         8.4133280144        3.3334601853        1.9082038849
  F        10.4701613707        3.4700757493        1.1740069551
  C        11.8394113113       -1.0308223293        5.5683001147
  C        11.3316147455       -1.9315701745        4.6125700410
  C        10.3277236471       -2.8534935794        4.9319168917
  C         9.8317342489       -2.9809732467        6.2313642964
  C        10.3408575652       -2.1123876253        7.1964600196
  C        11.3071141593       -1.1580639479        6.8638367984
  C         9.9424367806       -2.2002117550        8.6382989303
  F         9.5872700828       -0.9785538084        9.1651588511
  F         8.9025765797       -3.0537849109        8.8730094149
  F        11.0129348576       -2.6163381704        9.3944846175
  C         9.7598424418       -3.7121995813        3.8483776208
  F         8.8169152156       -4.5716923062        4.3236643749
  F        10.7221003837       -4.4590205122        3.2229492351
  F         9.1436485222       -2.9690043234        2.8595413080
  C        13.8684460694        0.5881574846        6.3949301367
  C        14.3573739195        1.8892265676        6.6052528149
  C        15.3157109423        2.1822443458        7.5867674349
  C        15.8179239219        1.1757463325        8.4082139790
  C        15.4058668236       -0.1368729579        8.1482264010
  C        14.4645979494       -0.4278266193        7.1613937212
  C        16.0253897869       -1.2351816533        8.9423772628
  F        16.0452143970       -0.8848914431       10.2758865453
  F        17.3293918289       -1.4926604589        8.5826673493
  F        15.3730284800       -2.4211600317        8.8084197548
  C        15.8718619107        3.5759274208        7.6598555218
  F        16.4734947689        3.8602785854        8.8582054951
  F        14.9155261096        4.5276877268        7.4148949817
  F        16.8222185013        3.7840256346        6.6777142129
  H        14.0730513657        1.9925699646        3.1964002811
  H        13.9318824770       -2.1297791963        4.4044732849
  H        15.9413573932       -1.0303393626        0.7647698244
  H        11.4531145077        0.8056468151        2.8745610731
  H         8.9738475094        4.1291340438        4.0589128665
  H        11.6896315892        2.3417795034        6.8796333772
  H        11.7222572226       -1.9319046509        3.5952224890
  H         9.1043056140       -3.7515867363        6.4682592033
  H        11.6550028318       -0.4973308147        7.6546871136
  H        13.9898759592        2.6986052528        5.9791113802
  H        16.5089665899        1.3925619370        9.2197488796
  H        14.2020923304       -1.4711541096        6.9884159416
  H        10.7046723408       11.8446183172        4.7768591778
  H        11.7659860332       10.2412349857        3.3493786401
     646
 i =       51, E =         0.0141963254
 Rh         3.6135689519        0.2234530525        4.8239041596
  P         5.3813050922        0.6319412864        6.2734332932
  C         5.2786966717       -0.2647516198        7.8847769212
  C         4.7988437568       -1.7114901029        7.6782864388
  C         4.5202531901       -2.3966902759        9.0229585740
  C         5.6980989162       -2.2312638521        9.9962962406
  C         6.1990324422       -0.7871665823       10.1560659166
  C         6.5175239957       -0.1507685681        8.7926613901
  C         5.6643794380        2.3927566359        6.7727890684
  C         4.6743964829        2.7958913493        7.8940423777
  C         4.5891290175        4.3113250383        8.1526319325
  C         4.5231983857        5.1202923852        6.8554001460
  C         5.7385946119        4.7784344157        5.9909940396
  C         5.5930249625        3.3204719876        5.5442861119
  C         6.9868784392        0.0920254889        5.4849001285
  C         6.9323380076        0.2322736809        3.9597379652
  P         5.2905318480       -0.2410759860        3.2558245479
  C         5.4412645998       -2.0268952847        2.7346178736
  C         4.3018402804       -2.4338311199        1.7827124704
  C         4.3814320541       -3.9175718107        1.4092954963
  C         4.2099494004       -4.7610673333        2.6744264342
  C         5.3221356599       -4.4264241049        3.6758139073
  C         5.3826178939       -2.9198209181        3.9939870401
  C         5.2186273859        0.7318018741        1.6840798561
  C         4.9417250281        2.2346266165        1.9108842485
  C         4.4261645966        2.8279661840        0.5908163982
  C         5.4556256593        2.6174662934       -0.5311888608
  C         5.9239373615        1.1574789352       -0.6629930260
  C         6.3907701418        0.5820946922        0.6886646808
  C         1.8750464713        0.3050638258        3.4564760652
  C         1.8963846358       -0.9560308209        4.0584421136
  C         1.0471260972       -0.8559517789        5.3322182272
  C         1.8886887287        0.0769624388        6.2339099313
  C         1.8438396511        1.3384558602        5.6346829944
  C         0.9912601066        1.1898891500        4.3569820047
  C        -0.0422339464        0.1579780082        4.8900250607
  H         4.4638160577        0.2614301522        8.4071944511
  H         5.5398017092       -2.2960742073        7.1136711029
  H         3.8914190195       -1.6837277316        7.0547014184
  H         4.3432705932       -3.4689480012        8.8521126263
  H         3.5890799259       -2.0004221808        9.4523528886
  H         5.4372074301       -2.6535046574       10.9763465725
  H         6.5376932416       -2.8261110099        9.6137818184
  H         7.1055113320       -0.7870868725       10.7809743972
  H         5.4550770148       -0.1641331368       10.6780214588
  H         6.8135800496        0.8985853214        8.9296542058
  H         7.3868013058       -0.6546103823        8.3509849075
  H         6.6911105921        2.4309178538        7.1701346277
  H         4.9700202410        2.2966878592        8.8271926853
  H         3.6712349249        2.4161499699        7.6526807746
  H         5.4705689077        4.6384385293        8.7223969893
  H         3.7153136799        4.5140842588        8.7885736900
  H         4.4541648597        6.1926559414        7.0762798136
  H         3.6126592472        4.8616480643        6.2931427339
  H         6.6559006610        4.8944064449        6.5867534963
  H         5.8429122669        5.4474617911        5.1285924359
  H         6.3520539420        3.0394969853        4.8005396257
  H         4.6153594219        3.1976839206        5.0489065788
  H         7.8208379742        0.6792386567        5.8940842415
  H         7.1503840611       -0.9534766362        5.7821142307
  H         7.7331246042       -0.3223059288        3.4512021750
  H         7.0441040979        1.2889818055        3.6787673663
  H         6.4146639629       -2.1443877277        2.2291999608
  H         4.2381188107       -1.7972829000        0.8933041452
  H         3.3563420777       -2.2981500403        2.3232205384
  H         5.3430510897       -4.1441077611        0.9267598472
  H         3.5980836791       -4.1502665264        0.6775875833
  H         4.1968737161       -5.8330710365        2.4362876368
  H         3.2232419709       -4.5418498595        3.1099616329
  H         5.1827120745       -4.9748415154        4.6198231535
  H         6.2846629276       -4.7546595723        3.2590211840
  H         6.2345845078       -2.7140623608        4.6557739779
  H         4.4779949793       -2.6260456035        4.5523406753
  H         4.3307502992        0.3145730265        1.1830641871
  H         5.8728964522        2.7458420664        2.2012634162
  H         4.2278361232        2.3911089925        2.7324999082
  H         4.2117731791        3.9010178761        0.6953961624
  H         3.4682026433        2.3435861309        0.3460499845
  H         6.3287064934        3.2479692618       -0.3055456642
  H         5.0551366248        2.9754643255       -1.4897235241
  H         6.7287385023        1.0907751770       -1.4102397450
  H         5.0964954988        0.5309925694       -1.0331938917
  H         7.2610651650        1.1463374099        1.0449362858
  H         6.7215232251       -0.4571424077        0.5708034563
  H         2.1944363869        0.5586339355        2.4498456679
  H         2.1985435472       -1.8970517400        3.6136928751
  H         0.7400758839       -1.8083004326        5.7728407145
  H         2.0849843255       -0.1167994018        7.2833964254
  H         1.9846745014        2.2877845102        6.1488905330
  H         0.6222830400        2.1114863056        3.8988223638
  H        -0.5845285825        0.5535429473        5.7575752683
  H        -0.7470902414       -0.2189207323        4.1450621545
 Rh        14.7237357611       19.6523653479       14.9331786537
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 Rh         6.0042685044       10.0792273159       14.9938659953
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  C         5.1331475605        9.4964059012        3.7302796787
  C         5.7054495608       10.4906761047        2.9053047361
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  F         2.6988946051        7.1607821878        9.5377232222
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  F         0.1907839002        5.0708706010        4.3303002694
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  F         7.4285861773        7.0975262094        7.7794820083
  F         6.2880705199        7.7340869281        9.5347607380
  C         3.1928895462       11.1119821851        4.8142406605
  C         2.5994760238       11.2563381034        3.5519269904
  C         1.6572781419       12.2687303212        3.2918963427
  C         1.2934773153       13.1836838755        4.2721372687
  C         1.8388236796       13.0243147591        5.5481384130
  C         2.7443016261       11.9793049886        5.8149141764
  C         1.1098962373       12.3781580826        1.9188539772
  F         1.0173946446       11.1551896479        1.3117025752
  F         1.8938712735       13.1551454916        1.0985204141
  F        -0.1548453672       12.9033760297        1.9037753338
  C         6.8293634473        6.4177678707        2.2185548989
  F         7.6180520315        6.2387043061        1.1127021249
  F         7.5007073694        5.8835420343        3.2986567255
  F         5.7149948000        5.6308632581        2.0537594058
  F         0.7121385220       15.0294868412        6.2359902234
  F         0.8943274522       13.3800291704        7.6987271464
  F         2.6766791865       14.5669735904        7.1184526273
  C         1.5221822342       13.9934317763        6.6392701635
  H         7.9255172362        8.6538064401        1.0568581333
  H         5.0276315588        7.3495617468        3.9572173723
  H         5.4080768863       11.5322399042        3.0267106595
  H         2.6936853757        7.9962087624        3.5705116018
  H         0.6254820766        5.9801341309        6.7682015277
  H         3.4307138325        9.1268466015        7.6450439600
  H         5.6950084355        8.1413631020        6.6862405364
  H         8.0473664243       10.8621653150        9.0397519138
  H         5.3549590073       12.3691327779        6.0365838729
  H         2.8555716404       10.5721071005        2.7531154614
  H         0.6075310556       13.9983201745        4.0528864802
  H         3.0992053453       11.8688800765        6.8444601352
  F         9.9815830377        8.3887736030       18.4869442806
  C        11.2717058842        8.6576227354       18.8922338841
  F        11.9340272421        7.4722255788       18.8450960867
  F        11.2159089767        9.0163898677       20.2303125135
  C        11.8666688161        9.7411248016       18.0400893976
  C        11.3872695025       11.0375591588       18.1947473439
  C        11.8536882660       12.0144719208       17.3090371077
  C        12.7259823893       11.6812709396       16.2628836983
  C        13.2283978459       10.3878036798       16.0890448321
  C        12.7903412994        9.4250942813       17.0293390753
  B        14.1504039545        9.9771523567       14.7894176206
  C        15.1639154147       11.1752247410       14.3343788384
  C        15.8130549470       11.9981855788       15.2654673166
  C        16.7185324705       12.9893305911       14.8602988813
  C        17.0760358282       13.1278062978       13.5146635700
  C        16.4840900715       12.2780390084       12.5752095823
  C        15.5283964989       11.3372483673       12.9840658936
  C        16.8176950038       12.3916973784       11.1060404952
  F        17.8101135230       13.2814691835       10.8571971519
  F        15.7423758506       12.8123972356       10.3459697546
  F        17.2336147648       11.1924758105       10.5643939640
  C        17.2440540152       13.9334469253       15.9037317280
  F        16.2475682767       14.6696084566       16.4966153532
  F        18.1469418215       14.8355264941       15.4066046102
  F        17.8416934079       13.2537916845       16.9415639312
  C        13.0729291070        9.6218618282       13.5853721726
  C        12.4552078991       10.6595431014       12.8535077460
  C        11.4603340026       10.4157524429       11.9003478779
  C        10.9897248311        9.1196134993       11.6786961699
  C        11.6056233748        8.0731840147       12.3726917568
  C        12.6389773793        8.3156151453       13.2779299287
  C        11.0264160237        6.6977221618       12.2267761061
  F        10.4957947180        6.4931969616       10.9919313735
  F        11.9225839522        5.6910548264       12.4647137660
  F        10.0071165882        6.4979055818       13.1302693123
  C        10.8977213309       11.5277444245       11.0560171114
  F         9.7413732031       11.1782268284       10.4134992746
  F        10.6236249629       12.6635461542       11.7458657455
  F        11.7714295765       11.8870105517       10.0431516648
  C        15.2012642896        8.7600253113       15.0830066674
  C        15.8833471014        8.6047112410       16.3067021418
  C        16.8177168268        7.5763503693       16.4758556408
  C        17.1033499721        6.6802467991       15.4439901733
  C        16.4796512696        6.8451588905       14.2142751009
  C        15.5619126997        7.8913335004       14.0386030815
  C        17.4881360318        7.2713040921       17.7755610658
  F        17.6155331313        8.3306605532       18.6262875470
  F        16.7946970575        6.3155047874       18.4806267485
  F        18.7601511688        6.7892643629       17.5435425715
  C        11.3811880012       13.4281127798       17.4313532568
  F        10.7829382391       13.6709554174       18.6280005534
  F        10.4778330817       13.7369206681       16.4303001965
  F        12.3997174032       14.3371800020       17.3063953362
  F        17.6293814239        4.8723801125       13.4894179697
  F        17.3754928083        6.5281375099       12.0297411896
  F        15.6568035268        5.2701509615       12.6131574901
  C        16.7833412872        5.8929486392       13.0962745738
  H        10.6544724319       11.2892602176       18.9606776278
  H        13.0037292231       12.4768854970       15.5671313396
  H        13.1572775756        8.4101789767       16.9655742474
  H        15.6139912524       11.8721325364       16.3308454908
  H        17.7900953833       13.8903791805       13.2151243386
  H        15.0481169734       10.7120956551       12.2361535128
  H        12.7626262700       11.6890720397       13.0434567793
  H        10.1498776114        8.9382121384       11.0205762959
  H        13.1031271788        7.4516555690       13.7546125943
  H        15.6998095098        9.2956797787       17.1326350145
  H        17.8036476786        5.8684935825       15.6060256019
  H        15.1113297951        8.0359527478       13.0600444087
  F         2.7310828637       18.6315961891       20.1498787767
  C         2.7281096363       18.3065228537       18.8057813695
  F         1.4149031604       18.0889255482       18.4786318106
  F         3.3604454070       17.1007435288       18.6404274096
  C         3.3380139222       19.3860824279       17.9575646200
  C         4.1565757876       19.0449593732       16.8715091854
  C         4.6722181305       20.0148745649       15.9794748117
  C         4.2485275908       21.3321717611       16.2087833366
  C         3.4457363316       21.6794775854       17.2997240232
  C         2.9972071364       20.7167216840       18.2069803259
  C         2.9256318666       23.0727526240       17.4330308750
  F         2.2997880032       23.2947869326       18.6237267271
  F         3.9038872265       24.0293510968       17.3046778463
  F         1.9924242683       23.2950569095       16.4308882683
  B         5.6095819130       19.6385982139       14.6807118320
  C         6.6878105142       18.4509064026       14.9763801484
  C         7.3115299221       18.3281423045       16.2310184677
  C         8.2595204872       17.3252661626       16.4707004190
  C         8.6295882473       16.4199091684       15.4813445034
  C         8.0658254560       16.5659832646       14.2124844041
  C         7.1371544140       17.5882633614       13.9658265585
  C         8.4254408261       15.6052687208       13.1152689582
  F         7.3140945097       15.0334395027       12.5416283735
  F         9.2145006386       14.5719689391       13.5628355376
  F         9.1088991697       16.2284312229       12.0989441801
  C         8.7877389722       17.1587238085       17.8545137039
  F         8.9108682956       18.3684870471       18.4868751447
  F        10.0159316493       16.5641864720       17.8937794464
  F         7.9556347204       16.3802990975       18.6282870829
  C         6.6226206614       20.8563866947       14.2792978292
  C         7.1972623541       21.7011799833       15.2450366508
  C         8.1724798838       22.6456839105       14.9074892384
  C         8.6278538693       22.7759308161       13.5907965930
  C         8.0568405954       21.9538113673       12.6170124978
  C         7.0882491376       21.0071325660       12.9630903734
  C         8.4086922419       22.1060576032       11.1646448064
  F         8.8237882437       20.9010305759       10.6308651918
  F         9.3803143454       23.0302292345       10.9288643064
  F         7.3273904520       22.5131176069       10.4137389542
  C         8.6846512445       23.5801137153       15.9622829759
  F         9.6002990611       24.4667972828       15.4771317762
  F         7.6882865617       24.3556916176       16.5042702340
  F         9.2728997281       22.8889850464       17.0091553473
  C         4.5632423767       19.2560734276       13.4737644981
  C         4.0770121839       17.9520153221       13.2745309799
  C         3.1103098376       17.6729586489       12.2870148240
  C         2.6094704395       18.6785167422       11.4702622627
  C         3.0439182975       19.9879377028       11.6756107943
  C         4.0116136830       20.2621675096       12.6573095423
  C         2.4118277559       21.0960920109       10.8789249913
  F         2.3725020289       20.7796807648        9.5355790366
  F         1.1011941821       21.3242230097       11.2585454130
  F         3.0408579416       22.3015898313       10.9978808955
  C         2.5163592353       16.3001145723       12.1872285427
  F         1.9328680373       16.0500550194       10.9845514579
  F         3.4298065722       15.3066085744       12.3974992076
  F         1.5244050803       16.1213561449       13.1295471792
  H         4.3812861382       17.9942659000       16.7171226188
  H         4.5484836553       22.1151707572       15.5082098990
  H         2.3836331153       21.0170893346       19.0523257741
  H         7.0691759649       19.0227914294       17.0302663027
  H         9.3352087106       15.6218992946       15.6955546112
  H         6.7514448909       17.7163171831       12.9538192404
  H         6.8724975773       21.6258153606       16.2835649873
  H         9.3866128760       23.5081677624       13.3404448755
  H         6.6813823158       20.3697031250       12.1789277328
  H         4.4520847989       17.1303813812       13.8819008649
  H         1.8939924892       18.4279085314       10.6825359103
  H         4.3520324468       21.2865168467       12.7710506238
  F        15.6206543712        1.2704578270       -0.2955942845
  C        15.6648096625        1.6450895200        1.0261133926
  F        16.9910228955        1.8940990118        1.3193958277
  F        15.0378639722        2.8482961444        1.1054253883
  C        15.0755383538        0.5945250150        1.9264854322
  C        14.2826174329        0.9331245495        3.0302162224
  C        13.7739913514       -0.0515398735        3.9065594273
  C        14.2171414959       -1.3659034097        3.6828104195
  C        14.9930650309       -1.7127411640        2.5751719920
  C        15.3955706495       -0.7430716766        1.6566360359
  C        15.4626628450       -3.1237295441        2.3920947037
  F        16.0462770341       -3.3170727738        1.1762855933
  F        14.4451938038       -4.0470136688        2.4979856858
  F        16.4077237046       -3.4522085711        3.3592819386
  B        12.8117423315        0.2462435825        5.2001854094
  C        11.7258589864        1.4387530401        4.9026451250
  C        11.1262003436        1.5260436714        3.6284358845
  C        10.1564256591        2.4908260378        3.3310496030
  C         9.7250797399        3.3939713707        4.3100778040
  C        10.2972525913        3.3181939510        5.5791958494
  C        11.2719659818        2.3538227558        5.8703033476
  C         9.9286218637        4.2992435554        6.6559160633
  F        11.0452880222        4.8813490866        7.1907057326
  F         9.1262306333        5.3282576754        6.2326791981
  F         9.2987870676        3.6779891688        7.7038704625
  C         9.6338795474        2.6963676960        1.9360030179
  F         9.4984238451        1.5257983322        1.2467591406
  F         8.4118811943        3.3342347603        1.9080100155
  F        10.4689467587        3.4644400187        1.1702630641
  C        11.8382306095       -1.0279804023        5.5687620779
  C        11.3288233802       -1.9280386321        4.6140756742
  C        10.3270862136       -2.8512350800        4.9333503933
  C         9.8320872132       -2.9772038383        6.2331840584
  C        10.3422380613       -2.1093560394        7.1979805944
  C        11.3091798136       -1.1542463410        6.8651182746
  C         9.9427279178       -2.1993877399        8.6393545755
  F         9.5872672108       -0.9780872430        9.1656151174
  F         8.9034127496       -3.0531437041        8.8726022266
  F        11.0130570834       -2.6162557591        9.3946386252
  C         9.7594613458       -3.7116196463        3.8490298603
  F         8.8169594754       -4.5711177917        4.3235844339
  F        10.7220946475       -4.4584203179        3.2238199682
  F         9.1440706159       -2.9690482639        2.8596031898
  C        13.8676935928        0.5935550682        6.3917293478
  C        14.3576385308        1.8884086055        6.6050773103
  C        15.3152822571        2.1859483728        7.5827743725
  C        15.8208653007        1.1723828983        8.4063599502
  C        15.4065667681       -0.1332193314        8.1463323558
  C        14.4642593195       -0.4288346913        7.1621771518
  C        16.0253352017       -1.2352551437        8.9415202533
  F        16.0450065455       -0.8835862668       10.2750583028
  F        17.3293195896       -1.4924306256        8.5826543509
  F        15.3732113615       -2.4205435049        8.8082687476
  C        15.8722055225        3.5755940553        7.6595664240
  F        16.4735324857        3.8605217956        8.8579563885
  F        14.9153450874        4.5280538396        7.4147299443
  F        16.8224540715        3.7843885166        6.6773546747
  H        14.0667810641        1.9894176682        3.1998569723
  H        13.9337342919       -2.1363048388        4.4009441619
  H        15.9488375047       -1.0254305473        0.7679209764
  H        11.4469788585        0.8124819085        2.8669147051
  H         8.9749461018        4.1355192836        4.0655161257
  H        11.6922066734        2.3386087176        6.8780497468
  H        11.7165914737       -1.9246613263        3.5947998042
  H         9.1018226512       -3.7440910087        6.4741811198
  H        11.6579343480       -0.4924413093        7.6548145078
  H        13.9880247472        2.7027140684        5.9796778559
  H        16.5133692648        1.3945034479        9.2141245540
  H        14.1973860452       -1.4675428963        6.9902478531
  H        10.7107304442       11.8410012883        4.7802229753
  H        11.7567742187       10.2260984623        3.3311494731
     646
 i =       52, E =         0.0354807176
 Rh         3.6148080696        0.2244395886        4.8229628011
  P         5.3822327226        0.6330663686        6.2738111184
  C         5.2740701083       -0.2646660245        7.8841781930
  C         4.8002048951       -1.7133271351        7.6784379944
  C         4.5227518805       -2.3979126761        9.0238620813
  C         5.7008525654       -2.2358453363        9.9972098083
  C         6.1986520744       -0.7905007461       10.1546312269
  C         6.5133180150       -0.1525725068        8.7908842768
  C         5.6662438579        2.3941714226        6.7745198100
  C         4.6740999252        2.7970991608        7.8934712962
  C         4.5894329193        4.3121600252        8.1534200614
  C         4.5233710374        5.1223807115        6.8567404740
  C         5.7366703605        4.7791804213        5.9897830533
  C         5.5944354399        3.3204311633        5.5450913924
  C         6.9884912881        0.0928260484        5.4871505226
  C         6.9357628129        0.2335602504        3.9614623538
  P         5.2916352773       -0.2402141670        3.2581208235
  C         5.4393530406       -2.0266124451        2.7379999258
  C         4.3020158180       -2.4316889932        1.7824240694
  C         4.3806110670       -3.9161484036        1.4114326050
  C         4.2118100523       -4.7607006137        2.6761274523
  C         5.3242040950       -4.4271096410        3.6771346942
  C         5.3831743896       -2.9210074111        3.9966782354
  C         5.2137435689        0.7303150451        1.6850827154
  C         4.9387293164        2.2328407860        1.9112221002
  C         4.4274818578        2.8287201756        0.5906380355
  C         5.4575837210        2.6190843485       -0.5312205576
  C         5.9229241483        1.1577641138       -0.6623881447
  C         6.3850682413        0.5801187083        0.6899480070
  C         1.8737838486        0.3054096428        3.4573708625
  C         1.8960672482       -0.9542996701        4.0602724499
  C         1.0473240022       -0.8543737193        5.3348796369
  C         1.8905261017        0.0778314304        6.2351185218
  C         1.8476780761        1.3388360142        5.6353240875
  C         0.9919588331        1.1914239129        4.3592744191
  C        -0.0417151513        0.1587017927        4.8897904236
  H         4.4576523720        0.2621425130        8.4036730692
  H         5.5461594586       -2.2927501861        7.1150165508
  H         3.8926186472       -1.6927814062        7.0549324049
  H         4.3388939134       -3.4692967404        8.8547590410
  H         3.5947210341       -1.9947970349        9.4538094337
  H         5.4372740718       -2.6556839859       10.9778192571
  H         6.5400138989       -2.8337677667        9.6184796974
  H         7.1049100346       -0.7846752296       10.7798210571
  H         5.4507886141       -0.1713619327       10.6755563580
  H         6.8111629260        0.8962814558        8.9277633569
  H         7.3794058600       -0.6572181475        8.3438148497
  H         6.6925132042        2.4360858648        7.1729678262
  H         4.9662079774        2.2970387656        8.8272921012
  H         3.6714897127        2.4185204280        7.6481850385
  H         5.4711279905        4.6383377838        8.7233275857
  H         3.7162368920        4.5132915508        8.7908328292
  H         4.4580899554        6.1949085290        7.0786558333
  H         3.6111803632        4.8675277642        6.2955042746
  H         6.6558160147        4.8973621670        6.5821782670
  H         5.8375275111        5.4461262336        5.1253249494
  H         6.3570599505        3.0414987419        4.8041924055
  H         4.6186879289        3.1929908892        5.0470972013
  H         7.8225990288        0.6774944756        5.9001501768
  H         7.1508230796       -0.9535883450        5.7818165918
  H         7.7373591684       -0.3233339407        3.4565119422
  H         7.0511806565        1.2896422893        3.6790744547
  H         6.4116068261       -2.1442995594        2.2307830137
  H         4.2496008478       -1.7977209594        0.8899397254
  H         3.3517081211       -2.2897024381        2.3130995594
  H         5.3420380202       -4.1427611965        0.9284966618
  H         3.5967384700       -4.1484591555        0.6803031708
  H         4.2009218515       -5.8325387270        2.4369293061
  H         3.2257841301       -4.5438095901        3.1142809123
  H         5.1831938361       -4.9767614728        4.6200899255
  H         6.2875695725       -4.7545843924        3.2614644701
  H         6.2369294962       -2.7158964000        4.6565567683
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 Rh        14.7228914431       19.6500782352       14.9368477802
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 Rh         6.0038640879       10.0795831463       14.9932968680
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 Rh        12.6685072264        9.7081806267        4.7140127524
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  H        11.5367117104        7.2474767107        5.2681051024
  F         8.5076736791       11.5990328571        1.4621476860
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  F         7.3493426266       10.8271666657       -0.2611212505
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  C         7.1041480992        8.8667110618        1.7389411598
  C         6.4720817164        7.8580432719        2.4611375966
  C         5.5036048065        8.1693817808        3.4295753121
  C         5.1329901977        9.4943705365        3.7316212467
  C         5.7053447948       10.4888826732        2.9070199379
  B         4.2374008158        9.8842425677        5.0621396210
  C         3.2332542636        8.6894076516        5.5521206316
  C         2.5412511664        7.8748656331        4.6443331097
  C         1.6437459648        6.8830600686        5.0644225755
  C         1.3148182347        6.7402099697        6.4158955158
  C         1.9310564630        7.6052762558        7.3298869699
  C         2.9007926043        8.5228247206        6.9082424716
  C         1.6034290949        7.5268135432        8.7959027911
  F         0.6248907239        6.6340722512        9.0901042674
  F         2.6971948481        7.1605598932        9.5376351716
  F         1.1812585037        8.7282653825        9.3115481118
  C         1.1487565278        5.9765588467        3.9736237541
  F         2.1780239069        5.2416085406        3.4436237857
  F         0.1911313041        5.0712382121        4.3303382127
  F         0.6507929167        6.7252183926        2.9285629350
  C         5.3524998312       10.2258763145        6.2099532664
  C         5.9543203668        9.1721587165        6.9117896936
  C         6.8799487356        9.3849494021        7.9358989685
  C         7.3194502921       10.6729477866        8.2521528506
  C         6.8000049634       11.7397998019        7.5004460276
  C         5.8093254629       11.5143276644        6.5313905446
  C         7.3246848090       13.1414339479        7.7018779259
  F         7.8464337544       13.3433840063        8.9477723631
  F         6.3581942835       14.0858738357        7.4826730706
  F         8.3346698322       13.4788653683        6.8184912241
  C         7.2806708787        8.1333859596        8.6619891811
  F         8.4374506261        8.2287041243        9.3858387835
  F         7.4279083773        7.0976223619        7.7788994656
  F         6.2876802646        7.7338610687        9.5346643555
  C         3.1956179858       11.1109461740        4.8102307874
  C         2.5995436655       11.2601221349        3.5510157762
  C         1.6608751144       12.2651433998        3.2903343082
  C         1.2933015860       13.1843161852        4.2735696434
  C         1.8415661361       13.0230708748        5.5468631872
  C         2.7463254858       11.9827171412        5.8156892356
  C         1.1092125447       12.3786912379        1.9181844573
  F         1.0174966891       11.1553361757        1.3121399281
  F         1.8939654981       13.1550460249        1.0985627527
  F        -0.1548790539       12.9031765624        1.9038370266
  C         6.8285367409        6.4169796334        2.2185239710
  F         7.6178325116        6.2386037604        1.1128395569
  F         7.5005234963        5.8835120863        3.2986265637
  F         5.7145806787        5.6302865756        2.0536923044
  F         0.7121785144       15.0288327716        6.2358618220
  F         0.8948854264       13.3805668293        7.6990032464
  F         2.6766682232       14.5670111198        7.1183110942
  C         1.5223905816       13.9935226993        6.6397328606
  H         7.9157799326        8.6483992493        1.0494874884
  H         5.0299203481        7.3478929961        3.9631684656
  H         5.4094923748       11.5301365349        3.0306229736
  H         2.7017489619        7.9953082755        3.5725641518
  H         0.6223861217        5.9780302557        6.7612870110
  H         3.4218447156        9.1263574954        7.6508632081
  H         5.6872382022        8.1439814570        6.6805002178
  H         8.0468741150       10.8565174242        9.0378381877
  H         5.3631489979       12.3726954131        6.0316267649
  H         2.8595114509       10.5726657977        2.7500020823
  H         0.6073484526       13.9963105655        4.0539193156
  H         3.1051129831       11.8698445675        6.8411000899
  F         9.9817700985        8.3886747484       18.4866330079
  C        11.2718345553        8.6577489362       18.8920190965
  F        11.9341199606        7.4720437102       18.8449540242
  F        11.2163297255        9.0161545052       20.2300900034
  C        11.8696219206        9.7371269855       18.0376835369
  C        11.3895932074       11.0399041563       18.1942326929
  C        11.8560387039       12.0125063384       17.3079272576
  C        12.7280398915       11.6824198143       16.2622651979
  C        13.2307373610       10.3830741269       16.0884874544
  C        12.7892448762        9.4254094253       17.0271353961
  B        14.1519704543        9.9768057455       14.7876272478
  C        15.1634974605       11.1754461544       14.3305247573
  C        15.8106425796       12.0023724711       15.2622587159
  C        16.7171606516       12.9913601000       14.8581021574
  C        17.0770601862       13.1307288764       13.5129218919
  C        16.4840538908       12.2783557006       12.5732818940
  C        15.5305485077       11.3381821489       12.9817499329
  C        16.8185998099       12.3926555538       11.1051076363
  F        17.8116564517       13.2817811105       10.8566796301
  F        15.7427624227       12.8127274381       10.3456514384
  F        17.2337387506       11.1926122741       10.5642436310
  C        17.2437113444       13.9341426100       15.9029584705
  F        16.2474993861       14.6697480481       16.4966513353
  F        18.1470592317       14.8358816866       15.4065281431
  F        17.8412981746       13.2537699272       16.9408759045
  C        13.0705788951        9.6243050514       13.5861262782
  C        12.4537017471       10.6616412383       12.8546797037
  C        11.4578946095       10.4146124983       11.8997712724
  C        10.9920729956        9.1185990216       11.6792531264
  C        11.6038899900        8.0739884808       12.3740546949
  C        12.6367659568        8.3173308408       13.2837565252
  C        11.0267512468        6.6980148941       12.2276096074
  F        10.4961151427        6.4935173993       10.9923304389
  F        11.9226195394        5.6911511373       12.4647702978
  F        10.0070289684        6.4978454944       13.1303748012
  C        10.8964296572       11.5279002720       11.0563860888
  F         9.7414942261       11.1782069528       10.4133619540
  F        10.6222600055       12.6633309632       11.7450907850
  F        11.7725734141       11.8862160436       10.0433848594
  C        15.2017842867        8.7578636481       15.0797944883
  C        15.8825830965        8.6001743307       16.3053394917
  C        16.8171783652        7.5740700483       16.4748648517
  C        17.1047757726        6.6763475574       15.4436200201
  C        16.4795435299        6.8432986385       14.2144777028
  C        15.5640519273        7.8876892104       14.0364671568
  C        17.4882349394        7.2704689448       17.7753378102
  F        17.6152209565        8.3303291244       18.6258003811
  F        16.7952742471        6.3148954997       18.4807000705
  F        18.7600801035        6.7892145419       17.5434514941
  C        11.3819051759       13.4278496118       17.4307747143
  F        10.7833207716       13.6704158467       18.6276322910
  F        10.4779656816       13.7367494686       16.4302291898
  F        12.3998959932       14.3372394185       17.3063190556
  F        17.6290024334        4.8703083433       13.4887281263
  F        17.3750998722        6.5284030840       12.0297742305
  F        15.6572971175        5.2701065856       12.6133635614
  C        16.7841577597        5.8915747091       13.0953710969
  H        10.6599839081       11.2892445731       18.9612845669
  H        13.0102674267       12.4739646180       15.5673748023
  H        13.1549461728        8.4055399799       16.9614093366
  H        15.6066653224       11.8788658945       16.3264394298
  H        17.7896474252       13.8923284848       13.2120490573
  H        15.0522160969       10.7118589509       12.2313997385
  H        12.7604032580       11.6908466573       13.0408333065
  H        10.1558112252        8.9342817897       11.0139902998
  H        13.0986761566        7.4562115040       13.7658863686
  H        15.6952171035        9.2888500268       17.1317732361
  H        17.8044604883        5.8649294865       15.6054733316
  H        15.1144455282        8.0306949613       13.0567172119
  F         2.7316275258       18.6300263422       20.1488715133
  C         2.7324675804       18.3020662574       18.8048159356
  F         1.4188789637       18.0931347471       18.4757400715
  F         3.3632797434       17.0950997577       18.6397816025
  C         3.3414020479       19.3802977597       17.9568481284
  C         4.1603763112       19.0441973154       16.8700289167
  C         4.6734497215       20.0134957702       15.9791293969
  C         4.2492181816       21.3330936693       16.2086332471
  C         3.4441319065       21.6763474809       17.3015148690
  C         2.9982285176       20.7128944395       18.2054960446
  C         2.9250741106       23.0719344219       17.4332340735
  F         2.2997190875       23.2943586662       18.6238878749
  F         3.9036015076       24.0288421016       17.3048133928
  F         1.9922268026       23.2948916922       16.4309457179
  B         5.6100660205       19.6393283715       14.6790838969
  C         6.6855088872       18.4492561684       14.9758644680
  C         7.3088615753       18.3232486176       16.2287925848
  C         8.2568674344       17.3247434727       16.4713986781
  C         8.6297893539       16.4169130876       15.4803858667
  C         8.0645263611       16.5640172461       14.2131882719
  C         7.1349613134       17.5833924468       13.9641616481
  C         8.4253612254       15.6042913109       13.1151014164
  F         7.3139717146       15.0330937289       12.5414248929
  F         9.2147256928       14.5715357166       13.5627666364
  F         9.1088523337       16.2283201638       12.0990907972
  C         8.7871198121       17.1577696983       17.8543248301
  F         8.9101580624       18.3681266548       18.4865552029
  F        10.0160982061       16.5645634929       17.8936486993
  F         7.9559025935       16.3794657437       18.6285063050
  C         6.6221278356       20.8580544487       14.2778405386
  C         7.1967700953       21.7039330507       15.2430816840
  C         8.1716650052       22.6491425885       14.9046464103
  C         8.6255332320       22.7795172745       13.5881887700
  C         8.0553845350       21.9565010394       12.6155876601
  C         7.0868291787       21.0089527500       12.9613456230
  C         8.4082182553       22.1065566643       11.1638833887
  F         8.8237172674       20.9013214061       10.6308777528
  F         9.3803207787       23.0304220881       10.9286197502
  F         7.3271114444       22.5133054189       10.4131906402
  C         8.6843984708       23.5809999934       15.9615534836
  F         9.6006068039       24.4672106705       15.4770939619
  F         7.6882124672       24.3559631424       16.5043358151
  F         9.2725995568       22.8890764712       17.0084390674
  C         4.5626873690       19.2588181458       13.4741345215
  C         4.0738085600       17.9548487661       13.2723058586
  C         3.1102829122       17.6744059648       12.2891695800
  C         2.6047754146       18.6813691564       11.4689493680
  C         3.0449400603       19.9926205857       11.6784673913
  C         4.0085606768       20.2649151218       12.6569841514
  C         2.4111117352       21.0981968623       10.8788167436
  F         2.3725887146       20.7800334019        9.5358205288
  F         1.1004592966       21.3251989635       11.2577687833
  F         3.0399197921       22.3050698117       10.9978580537
  C         2.5154479831       16.3011326775       12.1866791459
  F         1.9327713581       16.0500912299       10.9844180078
  F         3.4296573010       15.3075461132       12.3974545653
  F         1.5244010439       16.1213743604       13.1296375904
  H         4.3865722701       17.9925411855       16.7128785262
  H         4.5494649171       22.1160937461       15.5118819263
  H         2.3803856279       21.0070828749       19.0510521311
  H         7.0634117463       19.0176890489       17.0301899090
  H         9.3358105416       15.6206980107       15.6946077689
  H         6.7474722021       17.7073110645       12.9534849948
  H         6.8749681208       21.6288131817       16.2819712091
  H         9.3847092657       23.5116003410       13.3354165781
  H         6.6813609005       20.3711282222       12.1774767459
  H         4.4497725781       17.1337111978       13.8828161419
  H         1.8886084204       18.4356205938       10.6864827327
  H         4.3482196325       21.2910072487       12.7748404320
  F        15.6208896841        1.2706520800       -0.2951673825
  C        15.6641777772        1.6469011886        1.0266978926
  F        16.9906652690        1.8942933396        1.3197984317
  F        15.0378518582        2.8513845815        1.1055248250
  C        15.0748517715        0.5946114756        1.9263551589
  C        14.2791523185        0.9312521617        3.0304959347
  C        13.7723840967       -0.0556117396        3.9054741700
  C        14.2159900563       -1.3692227021        3.6813068478
  C        14.9943909487       -1.7129669909        2.5724778102
  C        15.3975223382       -0.7410617281        1.6579162452
  C        15.4631506804       -3.1239169163        2.3911918056
  F        16.0465905771       -3.3171986729        1.1756502235
  F        14.4455083178       -4.0468383060        2.4977970544
  F        16.4077916954       -3.4521736605        3.3587805845
  B        12.8111298229        0.2473516836        5.1978181033
  C        11.7267378991        1.4411340211        4.8981459595
  C        11.1251683469        1.5302947106        3.6252344993
  C        10.1531428042        2.4966518709        3.3317083888
  C         9.7260394377        3.3980241151        4.3118163524
  C        10.2987975746        3.3205903507        5.5785645486
  C        11.2748494406        2.3543884577        5.8683108294
  C         9.9299697640        4.2996039922        6.6564210500
  F        11.0460766671        4.8817387605        7.1910255164
  F         9.1265886789        5.3282751967        6.2328042940
  F         9.2992376392        3.6780008217        7.7036272772
  C         9.6325737489        2.6987168324        1.9360724175
  F         9.4982062769        1.5280260366        1.2470681097
  F         8.4105348708        3.3354643507        1.9078315839
  F        10.4684934989        3.4620630153        1.1676880427
  C        11.8371940907       -1.0246844984        5.5694546116
  C        11.3261836953       -1.9242400304        4.6147713686
  C        10.3259787140       -2.8492241891        4.9345801449
  C         9.8322083511       -2.9733582143        6.2353279186
  C        10.3439986787       -2.1057691789        7.1994481814
  C        11.3107895067       -1.1507096385        6.8667264401
  C         9.9433044177       -2.1982771326        8.6400657095
  F         9.5871553325       -0.9775939196        9.1661097372
  F         8.9038475088       -3.0528561010        8.8724472192
  F        11.0132585720       -2.6162184056        9.3949509937
  C         9.7593472099       -3.7106680068        3.8499268094
  F         8.8169009527       -4.5706856099        4.3237592448
  F        10.7220654653       -4.4579735132        3.2244303873
  F         9.1441848927       -2.9689642636        2.8595856963
  C        13.8677006558        0.5935464766        6.3903524032
  C        14.3571924089        1.8922611587        6.6029094639
  C        15.3168053860        2.1851501184        7.5821796422
  C        15.8230176907        1.1752507266        8.4019434194
  C        15.4070762568       -0.1338915169        8.1446608542
  C        14.4625325956       -0.4248411139        7.1609053290
  C        16.0252993049       -1.2343344702        8.9405072991
  F        16.0447026220       -0.8823730327       10.2741885829
  F        17.3292859588       -1.4923595970        8.5825641130
  F        15.3731980961       -2.4201130489        8.8080296991
  C        15.8724427771        3.5763866885        7.6587976629
  F        16.4734781347        3.8604113838        8.8576004994
  F        14.9153840029        4.5283191293        7.4146542748
  F        16.8227427815        3.7846698661        6.6770835654
  H        14.0603110775        1.9853782922        3.2032515638
  H        13.9357851247       -2.1424178175        4.3965592384
  H        15.9571394926       -1.0206632819        0.7705279611
  H        11.4403887062        0.8202745867        2.8596412994
  H         8.9753541734        4.1429320836        4.0720307709
  H        11.6944511602        2.3354165068        6.8752872249
  H        11.7104818837       -1.9170680951        3.5947060037
  H         9.0993229716       -3.7362871818        6.4801753400
  H        11.6610047012       -0.4873842062        7.6549579250
  H        13.9866205441        2.7056463445        5.9811607209
  H        16.5182913287        1.3961875783        9.2085248235
  H        14.1922129187       -1.4653121549        6.9920591789
  H        10.7175354466       11.8375265553        4.7837926786
  H        11.7470404300       10.2101512702        3.3121162137
     646
 i =       53, E =         0.0037903585
 Rh         3.6148692789        0.2245104382        4.8228676369
  P         5.3822385989        0.6331196917        6.2738343727
  C         5.2735647303       -0.2646711552        7.8841400049
  C         4.8002737978       -1.7136237416        7.6782133169
  C         4.5227669634       -2.3981972301        9.0239836370
  C         5.7010767201       -2.2362453348        9.9972040068
  C         6.1985196973       -0.7906738345       10.1546920245
  C         6.5133388189       -0.1528452945        8.7906241062
  C         5.6664868828        2.3942492157        6.7747205991
  C         4.6739419860        2.7970713754        7.8934369730
  C         4.5894394306        4.3123304111        8.1536542311
  C         4.5232823425        5.1225909117        6.8567283057
  C         5.7366641015        4.7793980408        5.9896781963
  C         5.5946065643        3.3203585372        5.5449554721
  C         6.9886379585        0.0928401199        5.4873709203
  C         6.9359300353        0.2337883671        3.9615843478
  P         5.2917566618       -0.2402310005        3.2582586426
  C         5.4391806118       -2.0265592579        2.7383814918
  C         4.3017822007       -2.4315393838        1.7827487110
  C         4.3801863632       -3.9160810616        1.4116142744
  C         4.2120996282       -4.7604115371        2.6762929200
  C         5.3241592616       -4.4272043867        3.6775670785
  C         5.3829619403       -2.9211456364        3.9967069760
  C         5.2133141459        0.7301353816        1.6852331828
  C         4.9385359531        2.2327217827        1.9112453306
  C         4.4271852160        2.8288427148        0.5906102235
  C         5.4581877426        2.6193274628       -0.5310489278
  C         5.9228216749        1.1576416458       -0.6623931925
  C         6.3846350909        0.5801547718        0.6900676596
  C         1.8739531546        0.3051547886        3.4571842184
  C         1.8960265651       -0.9535818020        4.0604881574
  C         1.0474263936       -0.8546261188        5.3353597372
  C         1.8905902688        0.0781483571        6.2344506689
  C         1.8483481017        1.3397494276        5.6362275401
  C         0.9919236869        1.1917322254        4.3591901468
  C        -0.0419434297        0.1590476144        4.8903681992
  H         4.4571919896        0.2618831490        8.4034577658
  H         5.5465770543       -2.2926949009        7.1153097325
  H         3.8929377464       -1.6935956002        7.0547702857
  H         4.3385231089       -3.4691755132        8.8549031941
  H         3.5952608450       -1.9944486776        9.4540929003
  H         5.4372664859       -2.6558080457       10.9778829624
  H         6.5401850588       -2.8343075491        9.6187593584
  H         7.1048277455       -0.7845476560       10.7795873373
  H         5.4505669503       -0.1720181541       10.6753436873
  H         6.8109325107        0.8960033388        8.9277232678
  H         7.3786753947       -0.6573703976        8.3435147611
  H         6.6924470393        2.4361754513        7.1731861446
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  H        15.6045877169       10.4676588392        8.8335953422
  H        10.3327342430       10.1518820911        2.4633785140
  H        11.1980823440        9.1201100476        7.1921086947
  H         9.1816386455       10.5643132349        6.5474763849
  H         8.0862632625        9.5278216271        4.2886344499
  H         8.4232255323        8.2074291516        5.4432379717
  H         9.9532698251        7.8453222676        3.2702086939
  H         9.1167803143       11.4424170044        4.1399569650
  H        11.5369916720        7.2485554436        5.2683454680
  F         8.5077907445       11.5990697179        1.4620131749
  C         7.2384672524       11.2426697878        1.0536510789
  F         6.4871476383       12.3745670944        1.0278941123
  F         7.3493899651       10.8271431896       -0.2608100629
  C         6.6554977018       10.1777141692        1.9282883217
  C         7.1036728631        8.8665588251        1.7386180717
  C         6.4719429932        7.8578347924        2.4611398451
  C         5.5037550573        8.1697862714        3.4297573903
  C         5.1330711593        9.4940658444        3.7316746026
  C         5.7051062480       10.4887242757        2.9075233405
  B         4.2373593847        9.8842602857        5.0622513656
  C         3.2334246173        8.6896782432        5.5522299866
  C         2.5413783343        7.8746451735        4.6439018646
  C         1.6437862636        6.8831100439        5.0647896115
  C         1.3146635097        6.7401929191        6.4158417701
  C         1.9307205241        7.6050591045        7.3294168780
  C         2.9006068138        8.5231701454        6.9089468831
  C         1.6030879740        7.5267305859        8.7960342538
  F         0.6247950315        6.6340344883        9.0899801125
  F         2.6968128145        7.1605106259        9.5375693444
  F         1.1812028973        8.7283373742        9.3114662147
  C         1.1486781150        5.9763375966        3.9735102262
  F         2.1780431281        5.2416216996        3.4435169671
  F         0.1913732633        5.0715073544        4.3301566208
  F         0.6507994371        6.7252481442        2.9284671167
  C         5.3526922697       10.2239754276        6.2101766936
  C         5.9538746469        9.1738497938        6.9114248272
  C         6.8795710466        9.3833183106        7.9356295744
  C         7.3194962994       10.6744291468        8.2519989242
  C         6.8005103666       11.7394623431        7.5013973580
  C         5.8093058786       11.5159601710        6.5307451471
  C         7.3257036413       13.1419552926        7.7009950172
  F         7.8465511398       13.3439332267        8.9475388995
  F         6.3542354895       14.0837443666        7.4846085393
  F         8.3364069698       13.4777307079        6.8184518320
  C         7.2803862050        8.1338556501        8.6615576673
  F         8.4378824321        8.2286329209        9.3861670721
  F         7.4280295770        7.0975089957        7.7788784284
  F         6.2876449028        7.7338333360        9.5347730110
  C         3.1965194094       11.1098943160        4.8092652000
  C         2.5966284740       11.2631946881        3.5490831906
  C         1.6642282141       12.2629629244        3.2944856706
  C         1.2936651087       13.1842439012        4.2743721193
  C         1.8414728562       13.0213291916        5.5432923477
  C         2.7460583324       11.9846044497        5.8183693096
  C         1.1085830320       12.3788538215        1.9163926304
  F         1.0174557362       11.1550150143        1.3118242932
  F         1.8941073616       13.1552998703        1.0981340410
  F        -0.1552856283       12.9034708569        1.9035883254
  C         6.8285024332        6.4169579111        2.2185325141
  F         7.6178136105        6.2386080019        1.1128466752
  F         7.5005320893        5.8835563279        3.2985846427
  F         5.7146921120        5.6301231546        2.0536319907
  F         0.7123917478       15.0289185351        6.2355650191
  F         0.8939560294       13.3793093524        7.6987782691
  F         2.6771719354       14.5671158447        7.1185066059
  C         1.5225827139       13.9948554316        6.6405895300
  H         7.9147165198        8.6480737223        1.0487030186
  H         5.0301738164        7.3475551644        3.9637632089
  H         5.4097081383       11.5300468062        3.0309606644
  H         2.7024193277        7.9951236849        3.5729211868
  H         0.6222417527        5.9780483929        6.7608869926
  H         3.4211004218        9.1264188292        7.6508251062
  H         5.6866583269        8.1437295255        6.6803977351
  H         8.0466391715       10.8562157838        9.0375886355
  H         5.3639893826       12.3725151227        6.0313152896
  H         2.8600912374       10.5724358210        2.7496526034
  H         0.6071694588       13.9961749447        4.0539623428
  H         3.1054949003       11.8699470268        6.8399078211
  F         9.9819872985        8.3887844257       18.4870007362
  C        11.2717193869        8.6578359894       18.8921246185
  F        11.9342464158        7.4719939536       18.8448684201
  F        11.2158290334        9.0163792917       20.2300086721
  C        11.8706965835        9.7358258576       18.0367988534
  C        11.3897337447       11.0413090817       18.1937940160
  C        11.8562781749       12.0113288095       17.3083198436
  C        12.7281242905       11.6840755506       16.2620890096
  C        13.2311985574       10.3812476754       16.0888422264
  C        12.7884562195        9.4267929975       17.0271980427
  B        14.1518788061        9.9770464407       14.7873742207
  C        15.1633391677       11.1751268001       14.3297915139
  C        15.8106631472       12.0030329601       15.2625930197
  C        16.7168763963       12.9913317626       14.8578500530
  C        17.0774248289       13.1312995935       13.5128180061
  C        16.4836591976       12.2779714859       12.5732701865
  C        15.5310433398       11.3385032170       12.9816237574
  C        16.8188790018       12.3927794010       11.1048747404
  F        17.8120527848       13.2817588193       10.8566414759
  F        15.7427251274       12.8126917289       10.3455860903
  F        17.2336909418       11.1926071935       10.5642492763
  C        17.2437467393       13.9342621183       15.9028794408
  F        16.2474229567       14.6698000752       16.4966271762
  F        18.1470811315       14.8357587741       15.4064893930
  F        17.8413643503       13.2537438545       16.9408442096
  C        13.0711764284        9.6242095944       13.5866778327
  C        12.4543316163       10.6619662459       12.8551043275
  C        11.4567065713       10.4156814225       11.8989824486
  C        10.9931544309        9.1184663646       11.6794153344
  C        11.6036535429        8.0733502423       12.3739266616
  C        12.6366811283        8.3170301202       13.2845247146
  C        11.0269364195        6.6979348716       12.2277823116
  F        10.4959238131        6.4936278617       10.9921683136
  F        11.9227098906        5.6910487588       12.4647668669
  F        10.0068156313        6.4978697926       13.1304911184
  C        10.9013727869       11.5282212994       11.0513311079
  F         9.7409936418       11.1781351421       10.4132988826
  F        10.6232106736       12.6639226239       11.7455623556
  F        11.7662538291       11.8848460633       10.0513427691
  C        15.2006068984        8.7585253202       15.0789355956
  C        15.8831492459        8.6000140681       16.3068199691
  C        16.8167808289        7.5738931293       16.4742194572
  C        17.1049198502        6.6758370935       15.4432755339
  C        16.4796739326        6.8443599744       14.2157229309
  C        15.5645966568        7.8867171802       14.0359481707
  C        17.4881391034        7.2701593252       17.7755362783
  F        17.6153691078        8.3305477251       18.6259785450
  F        16.7945193434        6.3152280487       18.4807501754
  F        18.7606848928        6.7891717584       17.5433527046
  C        11.3821542911       13.4277578675       17.4305092334
  F        10.7832106860       13.6705824095       18.6278788543
  F        10.4779008209       13.7368994280       16.4301546233
  F        12.4000570008       14.3375390773       17.3062409161
  F        17.6275832855        4.8760949309       13.4889705429
  F        17.3755973764        6.5279472870       12.0304406066
  F        15.6569060088        5.2713716865       12.6130608801
  C        16.7858044909        5.8870898783       13.0945719093
  H        10.6605215462       11.2891680214       18.9613532930
  H        13.0106599380       12.4734965633       15.5676316858
  H        13.1548673998        8.4046951414       16.9608989636
  H        15.6060740225       11.8794738479       16.3258764986
  H        17.7895215222       13.8923214612       13.2119209536
  H        15.0525543192       10.7116826867       12.2310770500
  H        12.7601008901       11.6908416898       13.0406367924
  H        10.1557690939        8.9339282904       11.0130358722
  H        13.0977754999        7.4570998180       13.7664497750
  H        15.6948523522        9.2879979130       17.1310827396
  H        17.8043782297        5.8648796087       15.6053557520
  H        15.1145094565        8.0304376015       13.0563410989
  F         2.7318450412       18.6293315284       20.1485447257
  C         2.7348255608       18.3047524604       18.8044860601
  F         1.4151894726       18.0851547538       18.4793237079
  F         3.3590330420       17.0970975990       18.6396224018
  C         3.3435165956       19.3811312555       17.9558619957
  C         4.1607980231       19.0446706843       16.8692295643
  C         4.6731977401       20.0122674036       15.9801410744
  C         4.2496587899       21.3338408189       16.2081251979
  C         3.4437613376       21.6746143762       17.3028300647
  C         2.9979474576       20.7128961011       18.2050813121
  C         2.9250783727       23.0719096070       17.4333606762
  F         2.2999724768       23.2943340326       18.6235703961
  F         3.9034944251       24.0286008275       17.3046665405
  F         1.9925916103       23.2948186176       16.4310788844
  B         5.6100561138       19.6395000443       14.6789851110
  C         6.6853056922       18.4494505071       14.9764869155
  C         7.3093641618       18.3221181893       16.2283842883
  C         8.2560471101       17.3250398789       16.4709284032
  C         8.6300020071       16.4165564980       15.4799026977
  C         8.0644766775       16.5641171586       14.2139944829
  C         7.1347764168       17.5825440641       13.9630683403
  C         8.4253965590       15.6041972311       13.1150430779
  F         7.3139743207       15.0330768356       12.5411990240
  F         9.2146975084       14.5715656791       13.5627139738
  F         9.1088602438       16.2283160419       12.0989987290
  C         8.7874467900       17.1580139921       17.8539458743
  F         8.9109111024       18.3684636264       18.4866033963
  F        10.0160556589       16.5637604734       17.8938431613
  F         7.9547789233       16.3797394200       18.6290079729
  C         6.6218391959       20.8577187407       14.2779374599
  C         7.1970169811       21.7043227310       15.2434493977
  C         8.1717722654       22.6492964083       14.9041245624
  C         8.6252799993       22.7796646536       13.5882873866
  C         8.0554372347       21.9567834301       12.6155523416
  C         7.0868168545       21.0088344943       12.9604163722
  C         8.4081624989       22.1065612115       11.1638325403
  F         8.8238209840       20.9013290699       10.6307707462
  F         9.3804433410       23.0304550381       10.9284943197
  F         7.3272046110       22.5133333883       10.4130222184
  C         8.6843305245       23.5809198436       15.9614767228
  F         9.6007248934       24.4672661358       15.4769407561
  F         7.6882509297       24.3561169169       16.5042978147
  F         9.2727890487       22.8890902372       17.0083868811
  C         4.5629258908       19.2590501224       13.4744593646
  C         4.0728763139       17.9545694016       13.2714647394
  C         3.1111846702       17.6751022269       12.2901965031
  C         2.6033898582       18.6814178706       11.4678425835
  C         3.0458785449       19.9932172647       11.6796466971
  C         4.0075247163       20.2653454375       12.6560742003
  C         2.4107531574       21.0989167131       10.8790593453
  F         2.3726436222       20.7803115427        9.5355786412
  F         1.1006631563       21.3252652612       11.2582828971
  F         3.0398472708       22.3056006796       10.9977409198
  C         2.5151291050       16.3008779283       12.1865180527
  F         1.9328901813       16.0502176575       10.9844927089
  F         3.4296941434       15.3077241817       12.3973732652
  F         1.5245361837       16.1215854024       13.1294647093
  H         4.3872409974       17.9923665372       16.7125581453
  H         4.5495274354       22.1159455118       15.5122175715
  H         2.3804778459       21.0064318451       19.0505932605
  H         7.0627303012       19.0176249448       17.0304458716
  H         9.3356917220       15.6209369677       15.6945190027
  H         6.7471516327       17.7066724646       12.9537732577
  H         6.8750630681       21.6289457963       16.2815718382
  H         9.3844815233       23.5120648221       13.3350483377
  H         6.6814281870       20.3714578639       12.1775899137
  H         4.4496914945       17.1339223230       13.8828539417
  H         1.8887133498       18.4361829286       10.6873331420
  H         4.3480249361       21.2913877511       12.7751228624
  F        15.6202050590        1.2709406492       -0.2950939413
  C        15.6638167135        1.6475113257        1.0270650816
  F        16.9907833993        1.8942381726        1.3189351429
  F        15.0383660119        2.8522157524        1.1052547989
  C        15.0747881166        0.5939886767        1.9265002334
  C        14.2791190996        0.9317695010        3.0299729811
  C        13.7722761136       -0.0559442179        3.9053198671
  C        14.2155968917       -1.3698752171        3.6817616702
  C        14.9946685589       -1.7125220320        2.5720130662
  C        15.3976738219       -0.7403902556        1.6580745344
  C        15.4633456715       -3.1242762719        2.3910720666
  F        16.0463687383       -3.3171841092        1.1758704188
  F        14.4454912243       -4.0468277522        2.4977585154
  F        16.4078115550       -3.4522047733        3.3587679528
  B        12.8109959641        0.2473438774        5.1976961908
  C        11.7266132247        1.4415328028        4.8979581638
  C        11.1251137347        1.5301810470        3.6243249004
  C        10.1533257742        2.4976906155        3.3317457106
  C         9.7261099313        3.3980815991        4.3117153860
  C        10.2987004263        3.3206419476        5.5780743668
  C        11.2754083832        2.3541274998        5.8687836279
  C         9.9299746374        4.2999924793        6.6569617311
  F        11.0461912098        4.8818623627        7.1910964009
  F         9.1266232014        5.3280992647        6.2328135722
  F         9.2990807250        3.6780369653        7.7035741671
  C         9.6320370923        2.6980546459        1.9364401857
  F         9.4972847615        1.5258431512        1.2467304330
  F         8.4107583671        3.3358691613        1.9076794826
  F        10.4696629030        3.4673168243        1.1703414964
  C        11.8370891833       -1.0242392784        5.5694178993
  C        11.3260465989       -1.9237820591        4.6143558999
  C        10.3255149613       -2.8492130556        4.9344299490
  C         9.8320197115       -2.9730541403        6.2355820375
  C        10.3441670747       -2.1053123182        7.1994093760
  C        11.3105087755       -1.1506852451        6.8670771354
  C         9.9435700888       -2.1979364140        8.6397488202
  F         9.5870306216       -0.9776222806        9.1660958718
  F         8.9035150295       -3.0531355422        8.8726565083
  F        11.0133107628       -2.6162619755        9.3951281926
  C         9.7595078116       -3.7103564756        3.8500841349
  F         8.8169180389       -4.5708209174        4.3241095903
  F        10.7219388719       -4.4580964188        3.2240946376
  F         9.1438335477       -2.9688410116        2.8596033445
  C        13.8680298172        0.5926277822        6.3908563754
  C        14.3569513951        1.8932077043        6.6024007720
  C        15.3171287497        2.1838678789        7.5827233323
  C        15.8231343513        1.1769874977        8.4010844470
  C        15.4070588891       -0.1350495492        8.1445232749
  C        14.4618654824       -0.4234930279        7.1601452455
  C        16.0252725783       -1.2338564890        8.9403845311
  F        16.0446162800       -0.8824366721       10.2741163586
  F        17.3293996445       -1.4924917066        8.5825201477
  F        15.3730337835       -2.4202854068        8.8079788853
  C        15.8724646952        3.5769118368        7.6585885298
  F        16.4734441730        3.8603043603        8.8575269342
  F        14.9155537190        4.5281125283        7.4147097001
  F        16.8227047690        3.7845529364        6.6771436284
  H        14.0597401302        1.9848885258        3.2032428853
  H        13.9357246973       -2.1424824883        4.3958643351
  H        15.9578364212       -1.0204482155        0.7708156441
  H        11.4400388670        0.8210762349        2.8594314354
  H         8.9753537622        4.1435518893        4.0722406776
  H        11.6944483727        2.3353183575        6.8744529128
  H        11.7098706947       -1.9164260186        3.5947982868
  H         9.0992082806       -3.7358513805        6.4803342277
  H        11.6611767486       -0.4872008274        7.6549510964
  H        13.9866102556        2.7056593372        5.9813251863
  H        16.5188105398        1.3960551138        9.2079279646
  H        14.1917548151       -1.4654303615        6.9921748271
  H        10.7184810885       11.8373127992        4.7839988795
  H        11.7460495135       10.2087552589        3.3107741355
     646
 i =       54, E =         0.0173975893
 Rh         3.6162089161        0.2257019964        4.8219178073
  P         5.3828480612        0.6341610271        6.2742097931
  C         5.2691960112       -0.2652015585        7.8833549248
  C         4.8014819740       -1.7158968789        7.6783105846
  C         4.5250277039       -2.3994596988        9.0247511961
  C         5.7035866844       -2.2407579665        9.9979001403
  C         6.1981875284       -0.7941504450       10.1531008715
  C         6.5089853137       -0.1546178927        8.7891851540
  C         5.6679482030        2.3954685342        6.7762811695
  C         4.6734316912        2.7983221193        7.8928569598
  C         4.5900026038        4.3132042331        8.1542715108
  C         4.5237242951        5.1247536126        6.8581711453
  C         5.7345585582        4.7803671784        5.9880924054
  C         5.5963541850        3.3204661373        5.5458627194
  C         6.9898694218        0.0932755318        5.4895270607
  C         6.9391566105        0.2343367167        3.9633374792
  P         5.2928954709       -0.2396187771        3.2605902305
  C         5.4376546319       -2.0264566172        2.7417707241
  C         4.3027309960       -2.4292798576        1.7819535383
  C         4.3797506583       -3.9145356265        1.4141073220
  C         4.2137915156       -4.7603961762        2.6781741144
  C         5.3265256634       -4.4277908040        3.6787749542
  C         5.3838323724       -2.9222018954        3.9997920409
  C         5.2084964885        0.7286425868        1.6864849543
  C         4.9348389109        2.2310559727        1.9118170142
  C         4.4286896922        2.8295287707        0.5904090928
  C         5.4597366293        2.6205499684       -0.5311728556
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  H        13.2104398922        9.9493220362        1.1692317461
  H        13.2563431642       12.0038474520        2.6591033603
  H        14.9371474966       12.2484104733        2.1991356931
  H        12.5699531622       12.2070173548        0.2590428199
  H        13.5038811560       13.6241641957        0.7415321394
  H        14.3059624375       12.7649586911       -1.4783591880
  H        15.5617657859       12.6810681684       -0.2490527885
  H        15.4732835717        9.0192580449        0.3963560023
  H        16.1864174533       10.5565734865        0.8612599929
  H        13.8621506689       10.2768419168       -1.1134479893
  H        15.5462591711       10.5782331661       -1.5622713106
  H        13.3173475940        9.7908191566        8.2354999943
  H        12.9085804237        7.6579848085        6.9536093200
  H        14.5736131203        7.1789900680        7.2725511863
  H        12.9945014197        6.1768983212        8.9511417523
  H        12.5275945277        7.7873152853        9.4825465631
  H        14.3449533300        6.9444261332       10.9784560472
  H        15.3736868688        6.6447648444        9.5833524378
  H        15.9375473745        8.8592388972       10.7122374862
  H        14.2489091222        9.3507223120       10.4933732529
  H        16.2555956026        8.9563198228        8.2070982664
  H        15.6072206554       10.4639842297        8.8355381962
  H        10.3076977407       10.1562426220        2.4632310004
  H        11.1969945100        9.1283298001        7.1899869847
  H         9.1731566423       10.5655495801        6.5423243146
  H         8.0836157968        9.5166367410        4.2880117174
  H         8.4321441191        8.2042235732        5.4495389653
  H         9.9569453604        7.8433140064        3.2729238633
  H         9.1202607768       11.4563422893        4.1415590676
  H        11.5409261398        7.2568594696        5.2733301589
  F         8.5075092960       11.5989457708        1.4622141370
  C         7.2379204943       11.2422335607        1.0542575977
  F         6.4870937666       12.3743727614        1.0281818497
  F         7.3495957442       10.8267445916       -0.2583883638
  C         6.6531102277       10.1763406597        1.9284057231
  C         7.0979734314        8.8642379144        1.7351005715
  C         6.4694529334        7.8565854979        2.4610918526
  C         5.5040357526        8.1671411418        3.4326548227
  C         5.1327345937        9.4926039729        3.7334578689
  C         5.7057690191       10.4867981259        2.9088844310
  B         4.2373923059        9.8842697891        5.0622483995
  C         3.2324781066        8.6905609265        5.5547079868
  C         2.5443050653        7.8742325314        4.6459864903
  C         1.6449104791        6.8830366045        5.0635358552
  C         1.3128422924        6.7393662242        6.4139998579
  C         1.9278928933        7.6042331193        7.3293938033
  C         2.8963498490        8.5235439267        6.9096515620
  C         1.6009319049        7.5259003931        8.7952962388
  F         0.6233203232        6.6330019125        9.0900144550
  F         2.6940075376        7.1601481387        9.5374938684
  F         1.1807619745        8.7282663846        9.3113351171
  C         1.1495325682        5.9767853812        3.9730767471
  F         2.1783227600        5.2414081371        3.4431276668
  F         0.1914459153        5.0717275922        4.3300528232
  F         0.6508374135        6.7253001871        2.9281692415
  C         5.3517261637       10.2302064621        6.2083313892
  C         5.9509919331        9.1719486710        6.9115591643
  C         6.8774000959        9.3855053103        7.9342623922
  C         7.3177047218       10.6705015652        8.2512930393
  C         6.8001911087       11.7420023264        7.4998502167
  C         5.8123691657       11.5152289004        6.5292028966
  C         7.3275703080       13.1423016952        7.7003674049
  F         7.8470479585       13.3451705002        8.9465663042
  F         6.3504474527       14.0795017971        7.4865851606
  F         8.3382698955       13.4768392277        6.8183089882
  C         7.2796273269        8.1331328269        8.6609926250
  F         8.4369224906        8.2289020197        9.3854066919
  F         7.4278608042        7.0973769476        7.7786401540
  F         6.2875333823        7.7338246795        9.5346577339
  C         3.1956818563       11.1141565694        4.8084157788
  C         2.6038007546       11.2589993945        3.5492333344
  C         1.6605069551       12.2672213354        3.2901877411
  C         1.2929256152       13.1844712513        4.2733913691
  C         1.8424205468       13.0231360706        5.5464490357
  C         2.7506282645       11.9827476786        5.8118392926
  C         1.1103111248       12.3783776300        1.9187681997
  F         1.0168996478       11.1546280323        1.3106398832
  F         1.8937330787       13.1555134776        1.0974504769
  F        -0.1554970222       12.9036315468        1.9031982649
  C         6.8278182383        6.4162961922        2.2185217308
  F         7.6176063991        6.2386109486        1.1129929233
  F         7.5004558829        5.8835762514        3.2985886501
  F         5.7145384016        5.6293595074        2.0535405681
  F         0.7126018015       15.0298319277        6.2358576077
  F         0.8930541541       13.3777699770        7.6976189095
  F         2.6776966765       14.5672620599        7.1191204255
  C         1.5237205719       13.9938137774        6.6384344715
  H         7.9039238128        8.6431483827        1.0403890947
  H         5.0333732794        7.3462462521        3.9695429351
  H         5.4113701921       11.5284678515        3.0351726424
  H         2.7105602296        7.9936986752        3.5744193055
  H         0.6194422898        5.9766049107        6.7549418335
  H         3.4129314641        9.1274237052        7.6558459482
  H         5.6798253834        8.1478430089        6.6769273309
  H         8.0461849071       10.8519935429        9.0362012740
  H         5.3712583656       12.3770694805        6.0249923296
  H         2.8629060562       10.5752259992        2.7477756334
  H         0.6071066019       13.9931682315        4.0548351287
  H         3.1122815742       11.8715936235        6.8391228138
  F         9.9820810249        8.3890003574       18.4874266500
  C        11.2726108920        8.6576233037       18.8916229190
  F        11.9343289534        7.4716697691       18.8451068536
  F        11.2152124973        9.0169425340       20.2293991599
  C        11.8703967492        9.7370408148       18.0366499056
  C        11.3930989443       11.0377972705       18.1937250691
  C        11.8592057757       12.0127452296       17.3062203014
  C        12.7322377170       11.6797948913       16.2623483153
  C        13.2327249056       10.3830028229       16.0878088537
  C        12.7891791615        9.4212846961       17.0245577379
  B        14.1524826971        9.9769968977       14.7855584173
  C        15.1637893945       11.1763896191       14.3276096347
  C        15.8072749118       12.0059387737       15.2580461208
  C        16.7159900243       12.9941450854       14.8558317631
  C        17.0770246409       13.1326168881       13.5107862173
  C        16.4853113673       12.2802622244       12.5719174078
  C        15.5321753775       11.3377980789       12.9787775831
  C        16.8201023823       12.3933701671       11.1041908933
  F        17.8147734118       13.2818747684       10.8562838658
  F        15.7429886384       12.8130857883       10.3450451823
  F        17.2337613352       11.1927746611       10.5639815010
  C        17.2432925479       13.9348389499       15.9022099691
  F        16.2472725689       14.6700179620       16.4965925045
  F        18.1472666250       14.8359092116       15.4063605044
  F        17.8411159385       13.2538097928       16.9401964289
  C        13.0702016892        9.6255025602       13.5880685847
  C        12.4523234549       10.6623425490       12.8543814876
  C        11.4562774375       10.4161212777       11.8999334818
  C        10.9947417923        9.1183170878       11.6769303824
  C        11.6044244299        8.0727913164       12.3767117496
  C        12.6327901618        8.3193232312       13.2894331481
  C        11.0267373455        6.6973503153       12.2283531982
  F        10.4959955026        6.4938665117       10.9926079966
  F        11.9228434414        5.6907886912       12.4648651028
  F        10.0064810314        6.4977023130       13.1307143466
  C        10.9019294980       11.5269557056       11.0511738707
  F         9.7397084887       11.1777079964       10.4124266461
  F        10.6251663405       12.6639913377       11.7461510070
  F        11.7640502015       11.8872607747       10.0499221642
  C        15.2012202311        8.7563740072       15.0770461238
  C        15.8809253037        8.5958108392       16.3022989912
  C        16.8169711407        7.5707279566       16.4743521502
  C        17.1058967006        6.6731447899       15.4436826118
  C        16.4822733726        6.8396597728       14.2130475291
  C        15.5647003538        7.8856657849       14.0345375753
  C        17.4877757515        7.2694118228       17.7749878340
  F        17.6154433472        8.3302113580       18.6256737055
  F        16.7933146794        6.3157061678       18.4810866830
  F        18.7615074481        6.7890514107       17.5432191377
  C        11.3829973820       13.4271264339       17.4302049761
  F        10.7836873819       13.6704265625       18.6272879946
  F        10.4783343711       13.7366671315       16.4302971129
  F        12.4001471252       14.3375733645       17.3061070529
  F        17.6307062088        4.8763024289       13.4899850491
  F        17.3771411039        6.5268239874       12.0297736244
  F        15.6553495747        5.2702692332       12.6115504902
  C        16.7848093434        5.8877269848       13.0963513742
  H        10.6661007248       11.2893633888       18.9622543544
  H        13.0171766509       12.4724533578       15.5670046483
  H        13.1512847179        8.4026026992       16.9563433163
  H        15.5985460604       11.8864294460       16.3221978698
  H        17.7896412492       13.8946565135       13.2090918225
  H        15.0571482308       10.7113696666       12.2273207912
  H        12.7580421832       11.6932938344       13.0386899929
  H        10.1620687878        8.9303288531       11.0066700329
  H        13.0921683143        7.4616288906       13.7774994331
  H        15.6900436789        9.2821269237       17.1309053606
  H        17.8050954409        5.8617768794       15.6047343591
  H        15.1172283631        8.0253064000       13.0526753884
  F         2.7337519891       18.6290301775       20.1463424524
  C         2.7340158029       18.3057005973       18.8031949436
  F         1.4162591082       18.0734254127       18.4851090823
  F         3.3549669326       17.0974773389       18.6375870254
  C         3.3493355938       19.3808108125       17.9543413880
  C         4.1650978352       19.0408080767       16.8664853799
  C         4.6750416346       20.0138290957       15.9790356075
  C         4.2497647516       21.3310491427       16.2113044757
  C         3.4438873338       21.6730623803       17.3025665456
  C         2.9974863428       20.7073417136       18.2043057498
  C         2.9252340873       23.0692135532       17.4342982922
  F         2.2997600871       23.2943217488       18.6238856784
  F         3.9032475079       24.0273495132       17.3045108238
  F         1.9930834597       23.2942688304       16.4312454986
  B         5.6099149831       19.6398497632       14.6786002014
  C         6.6838575894       18.4460467085       14.9735581317
  C         7.3057755988       18.3199805634       16.2280582366
  C         8.2554438335       17.3212781253       16.4703609731
  C         8.6300095866       16.4154541521       15.4801978722
  C         8.0630727493       16.5616528165       14.2133503028
  C         7.1317323917       17.5790747007       13.9643029183
  C         8.4254132418       15.6032783141       13.1152294254
  F         7.3139084237       15.0329638088       12.5409505518
  F         9.2147004375       14.5713380072       13.5625802363
  F         9.1086779540       16.2283246115       12.0992253955
  C         8.7870161741       17.1578379456       17.8536310232
  F         8.9118841777       18.3682233399       18.4859781263
  F        10.0149554558       16.5629963158       17.8938890078
  F         7.9538102167       16.3809178528       18.6289503138
  C         6.6220578750       20.8592768718       14.2765388975
  C         7.1969085420       21.7060344947       15.2405355422
  C         8.1710502940       22.6521639587       14.9024792285
  C         8.6238295082       22.7834462607       13.5854611382
  C         8.0538793502       21.9587480057       12.6140137275
  C         7.0860240395       21.0108511535       12.9599409408
  C         8.4080884272       22.1073137694       11.1629493131
  F         8.8238296882       20.9016380739       10.6307541818
  F         9.3804976980       23.0305138587       10.9282002018
  F         7.3271196300       22.5134852255       10.4124429953
  C         8.6844347747       23.5817896896       15.9605567144
  F         9.6008384127       24.4673966082       15.4768691978
  F         7.6883387772       24.3563798814       16.5042021590
  F         9.2726036342       22.8891938310       17.0076121813
  C         4.5608311383       19.2614867013       13.4734284034
  C         4.0726752306       17.9582097344       13.2721993552
  C         3.1069788121       17.6777702259       12.2878596066
  C         2.6025335771       18.6858008268       11.4712105014
  C         3.0425420498       19.9956085772       11.6789554001
  C         4.0074824822       20.2688098981       12.6590018450
  C         2.4106306537       21.1022272253       10.8801065637
  F         2.3726326022       20.7811387098        9.5363255265
  F         1.1000799778       21.3264091900       11.2597508487
  F         3.0386065975       22.3107005074       10.9974653078
  C         2.5151544473       16.3024212622       12.1867339354
  F         1.9327923002       16.0505312645       10.9842104398
  F         3.4295440798       15.3082835772       12.3971116276
  F         1.5242263758       16.1216201394       13.1294125772
  H         4.3931415358       17.9916732114       16.7086894919
  H         4.5510138770       22.1177047478       15.5145867954
  H         2.3781061195       20.9971783457       19.0484863434
  H         7.0569475051       19.0119683478       17.0295889787
  H         9.3362922381       15.6203361580       15.6937032802
  H         6.7424067428       17.6981176622       12.9525046242
  H         6.8767193264       21.6314955425       16.2802930583
  H         9.3815840833       23.5158292511       13.3305993720
  H         6.6809000507       20.3725961257       12.1754975166
  H         4.4472132322       17.1373028812       13.8829266544
  H         1.8822029525       18.4423787010       10.6898560588
  H         4.3441424480       21.2953563912       12.7784431470
  F        15.6187487063        1.2719360474       -0.2942638162
  C        15.6623938262        1.6501184268        1.0279015356
  F        16.9906353661        1.8943094412        1.3182668150
  F        15.0403405885        2.8590291908        1.1048925883
  C        15.0739025030        0.5965885656        1.9267791939
  C        14.2760461059        0.9287957741        3.0295055121
  C        13.7709653080       -0.0589307611        3.9036385694
  C        14.2151805268       -1.3719164168        3.6786778797
  C        14.9954876693       -1.7123590765        2.5709500311
  C        15.4007959016       -0.7392050079        1.6583321448
  C        15.4639588119       -3.1239908753        2.3899501808
  F        16.0465930687       -3.3175625151        1.1753660649
  F        14.4455052173       -4.0468369247        2.4976964532
  F        16.4081428853       -3.4524136041        3.3586580945
  B        12.8103858558        0.2481115322        5.1958003505
  C        11.7271798373        1.4437488332        4.8934132560
  C        11.1232113632        1.5356451819        3.6220792694
  C        10.1530211343        2.5020113320        3.3305329187
  C         9.7258017175        3.4029281043        4.3127986029
  C        10.3009896701        3.3219438038        5.5786473700
  C        11.2764254214        2.3551568146        5.8652680074
  C         9.9309888918        4.3004614367        6.6575831242
  F        11.0472587975        4.8826370200        7.1918293164
  F         9.1266832270        5.3281343338        6.2331255132
  F         9.2990215212        3.6781574412        7.7037298005
  C         9.6307433645        2.6996772983        1.9354206434
  F         9.4967386681        1.5250863530        1.2476242425
  F         8.4105061686        3.3363869262        1.9069600394
  F        10.4692686586        3.4725577183        1.1755545046
  C        11.8351098078       -1.0209980096        5.5697643226
  C        11.3224755073       -1.9196936125        4.6153480002
  C        10.3241624605       -2.8463579289        4.9354783486
  C         9.8317470283       -2.9691134851        6.2367828417
  C        10.3449191352       -2.1021714091        7.2005263022
  C        11.3118917327       -1.1470199866        6.8680437004
  C         9.9438600363       -2.1968814220        8.6404214072
  F         9.5868912748       -0.9773920402        9.1662686029
  F         8.9040980073       -3.0526054273        8.8723844213
  F        11.0133045609       -2.6161491770        9.3953744962
  C         9.7589957012       -3.7097203975        3.8503433017
  F         8.8174485880       -4.5704107028        4.3247643608
  F        10.7214306964       -4.4574939913        3.2243258785
  F         9.1436140733       -2.9687412718        2.8599525486
  C        13.8670374539        0.5973462560        6.3880186012
  C        14.3567182644        1.8933033569        6.6016969981
  C        15.3167554343        2.1868143024        7.5789505594
  C        15.8260299576        1.1741269238        8.3982018998
  C        15.4074918768       -0.1319205904        8.1419081470
  C        14.4610404359       -0.4237332182        7.1605943773
  C        16.0251733203       -1.2337438184        8.9394085284
  F        16.0442795473       -0.8815164898       10.2731873990
  F        17.3294194990       -1.4924154109        8.5825131033
  F        15.3730075504       -2.4197943737        8.8078055744
  C        15.8726430754        3.5766260310        7.6579768560
  F        16.4734767975        3.8605301724        8.8572562683
  F        14.9154656556        4.5283043234        7.4146093470
  F        16.8229546005        3.7847658083        6.6768301340
  H        14.0529307249        1.9818134802        3.2053202744
  H        13.9360125916       -2.1484895527        4.3917430610
  H        15.9659672736       -1.0160740619        0.7741417940
  H        11.4349951699        0.8280036605        2.8521950940
  H         8.9761513124        4.1503914677        4.0774119203
  H        11.6970260716        2.3327942386        6.8717560098
  H        11.7037973644       -1.9086734609        3.5938406535
  H         9.0969272920       -3.7291440770        6.4850263513
  H        11.6637982941       -0.4832443437        7.6551681095
  H        13.9849664395        2.7093998934        5.9817705011
  H        16.5241626497        1.3971984556        9.2014024652
  H        14.1867140064       -1.4620281195        6.9938392755
  H        10.7255244090       11.8327304338        4.7866853015
  H        11.7359538785       10.1927481698        3.2926015725
     646
 i =       55, E =         0.0218899496
 Rh         3.6175671911        0.2267637477        4.8208871310
  P         5.3834366935        0.6351332314        6.2745693719
  C         5.2646835217       -0.2656417476        7.8827013725
  C         4.8028298144       -1.7182736067        7.6782726695
  C         4.5271991272       -2.4008242875        9.0256125218
  C         5.7062555837       -2.2453591336        9.9984820205
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  H        14.5622201011        4.5923760265        4.4476532681
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  H        15.4638220061        9.0168668123        0.3954839263
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  H        13.3149477842        9.7824534550        8.2358515338
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  H        14.5742619111        7.1746859293        7.2653681785
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  F         6.4868982466       12.3743401283        1.0283915697
  F         7.3497994463       10.8262669149       -0.2557671286
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  C         7.0920071437        8.8622724787        1.7316812632
  C         6.4669449025        7.8548556277        2.4610804989
  C         5.5042712302        8.1659372807        3.4355401421
  C         5.1327681077        9.4903635811        3.7348573298
  C         5.7055879207       10.4853295998        2.9111323571
  B         4.2366635952        9.8855943476        5.0628069431
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  C         2.5470925622        7.8735205712        4.6464825989
  C         1.6459912371        6.8830549558        5.0630371419
  C         1.3113459571        6.7389263158        6.4122027215
  C         1.9244978552        7.6028241279        7.3286168775
  C         2.8926060002        8.5247290371        6.9119230011
  C         1.5986846340        7.5251133369        8.7950985795
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  F         2.6913448841        7.1598342715        9.5374144710
  F         1.1803744219        8.7280258980        9.3112219983
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  F         0.1918071715        5.0721042141        4.3300676441
  F         0.6509284553        6.7253239906        2.9280734080
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  C         5.9468066040        9.1774121585        6.9097988247
  C         6.8742635408        9.3817205515        7.9328793162
  C         7.3162073243       10.6733347643        8.2498177451
  C         6.8023509127       11.7400035427        7.5009093347
  C         5.8140474180       11.5211025799        6.5255614043
  C         7.3279641758       13.1418887536        7.7001123059
  F         7.8474004482       13.3450365992        8.9465500395
  F         6.3505704203       14.0792852092        7.4865652847
  F         8.3382298603       13.4773700274        6.8180576547
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  F         7.4275689421        7.0972882538        7.7782963253
  F         6.2873476777        7.7336823625        9.5345197268
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  C         2.6010863115       11.2653873819        3.5466058569
  C         1.6656199027       12.2630142219        3.2914693461
  C         1.2938309261       13.1833689594        4.2749489833
  C         1.8444709332       13.0216097850        5.5438601265
  C         2.7520679276       11.9877991670        5.8147434669
  C         1.1089495136       12.3789263790        1.9164938823
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  F         1.8936978154       13.1552041282        1.0977277772
  F        -0.1549761571       12.9032845598        1.9033478537
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  F         7.5003057683        5.8835810094        3.2985806442
  F         5.7142388666        5.6288375373        2.0535141870
  F         0.7131310692       15.0292820440        6.2358077292
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  F         2.6774073904       14.5669317226        7.1190406338
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  H         7.8930462820        8.6382382194        1.0318805963
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  H         5.4131720777       11.5266125909        3.0393839497
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  H         3.4043326047        9.1280267946        7.6601830871
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  H         8.0455493729       10.8474509124        9.0347575279
  H         5.3796582512       12.3792489901        6.0198936073
  H         2.8668329690       10.5759919947        2.7444740145
  H         0.6054015241       13.9920046661        4.0554061501
  H         3.1182877829       11.8731085906        6.8347874462
  F         9.9822572259        8.3889175600       18.4872663052
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  F        11.2153780797        9.0169376449       20.2289721939
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  C        11.3960638812       11.0409259272       18.1921872453
  C        11.8614352495       12.0100250004       17.3064689457
  C        12.7351093490       11.6826626130       16.2615893655
  C        13.2352446425       10.3773845584       16.0879484907
  C        12.7877173987        9.4227258996       17.0221288864
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  C        15.8048612876       12.0102695491       15.2555651470
  C        16.7144727549       12.9961593215       14.8536465727
  C        17.0779979559       13.1356580065       13.5093434295
  C        16.4851893305       12.2804289692       12.5700747966
  C        15.5347157716       11.3387074634       12.9766790156
  C        16.8215134280       12.3944473627       11.1031818370
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  F        15.7436420308       12.8134230313       10.3448734175
  F        17.2338432821       11.1929253126       10.5638603541
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  F        18.1473647961       14.8361641264       15.4062734579
  F        17.8407592931       13.2538326906       16.9395250362
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  C        12.4520960666       10.6641051082       12.8554188189
  C        11.4550048749       10.4150048154       11.8992452926
  C        10.9976309696        9.1166634216       11.6760024813
  C        11.6030454688        8.0738221150       12.3774031162
  C        12.6299102829        8.3208911817       13.2951848569
  C        11.0269479563        6.6972185788       12.2291800866
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  F        11.9228361880        5.6905036061       12.4649366578
  F        10.0062943850        6.4975069459       13.1308549566
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  F         9.7397879508       11.1776099435       10.4129407741
  F        10.6255937242       12.6632483460       11.7463149814
  F        11.7649756269       11.8873888470       10.0473566005
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  C        15.8800270145        8.5921053143       16.3019875619
  C        16.8161390272        7.5683591777       16.4728814524
  C        17.1067938270        6.6699345908       15.4425070772
  C        16.4819629173        6.8396541405       14.2139575795
  C        15.5670232266        7.8815260252       14.0320294487
  C        17.4880281551        7.2687086550       17.7752159904
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  F        16.7932677973        6.3157024950       18.4811366891
  F        18.7613068662        6.7890055955       17.5431276092
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  F        10.4784674151       13.7364461254       16.4302986580
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  F        17.3764715915        6.5264162419       12.0302608084
  F        15.6563463330        5.2702330229       12.6122922292
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  H        10.6717206436       11.2892654392       18.9632259075
  H        13.0233188635       12.4696725594       15.5676607939
  H        13.1486059751        8.3977356949       16.9515397464
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  H        12.7557188724       11.6946583191       13.0365471574
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  H        13.0864507809        7.4660674262       13.7886888891
  H        15.6854012442        9.2752978129       17.1293355963
  H        17.8059932696        5.8585825803       15.6043007850
  H        15.1198460864        8.0203986062       13.0493517143
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  F         3.3564928136       17.0959564970       18.6363224141
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  C         3.4425600702       21.6700877737       17.3049856599
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  C         2.9251115029       23.0679702339       17.4347094514
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  F         3.9030173514       24.0262901765       17.3047384142
  F         1.9932147772       23.2936781490       16.4315659913
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  C         7.3037214504       18.3149548630       16.2259486059
  C         8.2528019846       17.3208110863       16.4707876064
  C         8.6299778903       16.4134134902       15.4786264680
  C         8.0619833399       16.5594791964       14.2142735537
  C         7.1289346347       17.5740208689       13.9618556513
  C         8.4251874507       15.6024162719       13.1150037147
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  F         7.9537178282       16.3810828586       18.6291404666
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  F         7.6883317381       24.3565991374       16.5042402959
  F         9.2723670663       22.8892659166       17.0069825075
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  C         2.4097508102       21.1054689706       10.8801012955
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  F         3.4293537803       15.3093651856       12.3971027701
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  C        13.7692655840       -0.0623055930        3.9024843741
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  C        15.4033007384       -0.7364185001        1.6594288381
  C        15.4644779682       -3.1241203677        2.3892140502
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  F        14.4457782213       -4.0464726913        2.4975149973
  F        16.4083137682       -3.4523465804        3.3582943993
  B        12.8095387824        0.2493912224        5.1934240719
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  C        11.1225493258        1.5392900723        3.6182905126
  C        10.1507711948        2.5079147750        3.3306534248
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  C        10.3019454140        3.3242254854        5.5780570470
  C        11.2786773441        2.3555958943        5.8633071490
  C         9.9321850539        4.3008310754        6.6583456577
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  F         9.1269630106        5.3281224203        6.2333709351
  F         9.2992868171        3.6782773681        7.7036896932
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  F         8.4092930687        3.3366573909        1.9065332491
  F        10.4692175044        3.4736379527        1.1754708495
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  C        11.3193622171       -1.9153625816        4.6152115356
  C        10.3224375263       -2.8440396371        4.9359087954
  C         9.8311583845       -2.9653373099        6.2384671457
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  C        11.3126604630       -1.1438120312        6.8694006329
  C         9.9442685954       -2.1959074294        8.6408716265
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  F        11.0134360343       -2.6160720774        9.3955697757
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  F        10.7213323494       -4.4570860504        3.2247249186
  F         9.1435056454       -2.9686481137        2.8598083659
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  C        14.3558938181        1.8980511436        6.5991704167
  C        15.3185479723        2.1848731825        7.5789526312
  C        15.8280929548        1.1784032579        8.3927729621
  C        15.4080381788       -0.1338912832        8.1401099790
  C        14.4585553605       -0.4187403191        7.1585556292
  C        16.0250662445       -1.2326722428        8.9381328401
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  F        17.3293336364       -1.4923488087        8.5823868409
  F        15.3729333736       -2.4194006356        8.8075183364
  C        15.8728311146        3.5775183249        7.6570863670
  F        16.4733314066        3.8602879475        8.8567577475
  F        14.9154895105        4.5285584597        7.4145158931
  F        16.8232628543        3.7850212382        6.6765510071
  H        14.0461544729        1.9781016208        3.2072123476
  H        13.9364887464       -2.1536143624        4.3867974964
  H        15.9744202469       -1.0118621131        0.7770697526
  H        11.4297361381        0.8355843951        2.8457147698
  H         8.9768035267        4.1573450872        4.0824646734
  H        11.6992685634        2.3303187667        6.8682600045
  H        11.6974120232       -1.9008707297        3.5934648393
  H         9.0947881641       -3.7223607104        6.4895323189
  H        11.6664721860       -0.4792647704        7.6554112769
  H        13.9837413587        2.7119495480        5.9829701921
  H        16.5297268537        1.3979689150        9.1949785975
  H        14.1813974769       -1.4601667782        6.9953999113
  H        10.7329684650       11.8284164320        4.7894577440
  H        11.7258406857       10.1767608533        3.2744342614
     646
 i =       56, E =        -0.0000987979
 Rh         3.6179611254        0.2270165644        4.8207471529
  P         5.3835075092        0.6352847819        6.2746359031
  C         5.2635774325       -0.2658446219        7.8825454960
  C         4.8031586718       -1.7189600975        7.6781252829
  C         4.5276238352       -2.4013224353        9.0258571662
  C         5.7068827816       -2.2465257984        9.9986461595
  C         6.1975058607       -0.7984503891       10.1513947521
  C         6.5039644730       -0.1573306016        8.7870586229
  C         5.6698064226        2.3969302508        6.7784214878
  C         4.6725815244        2.7997890123        7.8920823073
  C         4.5907360188        4.3143142730        8.1552195752
  C         4.5241122108        5.1273604367        6.8598730523
  C         5.7320854534        4.7817059450        5.9862899832
  C         5.5984976829        3.3205027242        5.5468321098
  C         6.9913720422        0.0937265871        5.4923099161
  C         6.9429086456        0.2350934323        3.9655558423
  P         5.2942799686       -0.2389113278        3.2635048570
  C         5.4361327823       -2.0263363322        2.7461381046
  C         4.3037816128       -2.4266339573        1.7816232209
  C         4.3785886720       -3.9129627112        1.4169144458
  C         4.2161918032       -4.7599173795        2.6806092752
  C         5.3291796977       -4.4287751994        3.6809624828
  C         5.3845665165       -2.9235105198        4.0033600306
  C         5.2023127543        0.7266508066        1.6881809979
  C         4.9305971952        2.2289515942        1.9124588132
  C         4.4299851070        2.8302640309        0.5900064065
  C         5.4624422797        2.6222472838       -0.5307196026
  C         5.9210229424        1.1583797992       -0.6609104084
  C         6.3715029808        0.5748218662        0.6927046450
  C         1.8717750217        0.3069577489        3.4586716397
  C         1.8960443536       -0.9517370859        4.0648393391
  C         1.0487969479       -0.8498630487        5.3415791425
  C         1.8959788472        0.0807430262        6.2379998500
  C         1.8570568706        1.3407688665        5.6373455780
  C         0.9946413539        1.1953064952        4.3647785583
  C        -0.0398775607        0.1609804747        4.8899565079
  H         4.4433499501        0.2601547810        8.3969251798
  H         5.5604716247       -2.2883620347        7.1199398033
  H         3.8972788161       -1.7148977869        7.0525663864
  H         4.3283373604       -3.4699774695        8.8600592573
  H         3.6080842597       -1.9830361995        9.4592945451
  H         5.4374582325       -2.6604558050       10.9805103714
  H         6.5453732477       -2.8505881033        9.6280068202
  H         7.1035884322       -0.7801336889       10.7760609321
  H         5.4415530400       -0.1881415520       10.6703951820
  H         6.8054265301        0.8901331154        8.9246540451
  H         7.3630059726       -0.6638430273        8.3296357607
  H         6.6946219790        2.4440691583        7.1799736947
  H         4.9559061516        2.2967299670        8.8268222540
  H         3.6709021912        2.4252964707        7.6378174686
  H         5.4733923838        4.6378229492        8.7250650629
  H         3.7188959126        4.5139184639        8.7946283638
  H         4.4683777396        6.1998764116        7.0853380578
  H         3.6073617070        4.8817039846        6.3025365212
  H         6.6551234524        4.9071652083        6.5704205468
  H         5.8227093273        5.4438565300        5.1170467264
  H         6.3691158674        3.0457433610        4.8128649383
  H         4.6275409221        3.1830898374        5.0425610638
  H         7.8258416461        0.6735275082        5.9115584681
  H         7.1503034015       -0.9542643884        5.7830794008
  H         7.7454249335       -0.3271935984        3.4673936505
  H         7.0667893628        1.2894753158        3.6809866763
  H         6.4074843102       -2.1450967624        2.2374759990
  H         4.2789809492       -1.7997546922        0.8822744367
  H         3.3442898143       -2.2681529657        2.2891680969
  H         5.3393672495       -4.1390532149        0.9315953353
  H         3.5934587959       -4.1460460929        0.6877723211
  H         4.2091076528       -5.8311725090        2.4370092497
  H         3.2315400304       -4.5489658477        3.1246805615
  H         5.1869726777       -4.9810777999        4.6218398456
  H         6.2939387707       -4.7547923830        3.2662289878
  H         6.2423506172       -2.7185221949        4.6590703961
  H         4.4840337366       -2.6387421628        4.5722231459
  H         4.3081680860        0.3092859528        1.1978174628
  H         5.8615778410        2.7337777907        2.2131643541
  H         4.2085854468        2.3855069313        2.7272762083
  H         4.2124137784        3.9011740944        0.7063898792
  H         3.4762543226        2.3473026316        0.3287375931
  H         6.3392842046        3.2500717225       -0.3158128978
  H         5.0560745567        2.9776198718       -1.4885461759
  H         6.7357088621        1.0866594486       -1.3967303024
  H         5.0932361654        0.5407771537       -1.0445071232
  H         7.2418636226        1.1327333821        1.0582507596
  H         6.6959079337       -0.4666674850        0.5741939029
  H         2.1647711106        0.5532374437        2.4425452532
  H         2.1915492710       -1.8955432252        3.6193074138
  H         0.7381940514       -1.8000881371        5.7826630963
  H         2.1183016719       -0.1250419019        7.2815265237
  H         2.0394489056        2.2921460094        6.1295915269
  H         0.6270135846        2.1205795671        3.9142685002
  H        -0.6071431683        0.5509454699        5.7421109035
  H        -0.7213526625       -0.2253935049        4.1268368028
 Rh        14.7218328835       19.6453310915       14.9450470265
  P        12.9226603835       19.1982071067       13.5114033667
  C        13.0782380187       20.1939622615       11.9641781928
  C        13.4924131411       21.6522065380       12.2230178821
  C        13.8331141925       22.3343430029       10.8899847145
  C        12.6843134045       22.2354639668        9.8760703560
  C        12.2697239790       20.7743355632        9.6531440358
  C        11.9081340117       20.0762819708       10.9759207144
  C        12.6220522455       17.4683132025       12.8865780025
  C        13.6407473361       17.0401842232       11.8068139106
  C        13.5678596264       15.5292667908       11.5299031164
  C        13.7901227260       14.7381204132       12.8221509894
  C        12.6754376681       15.0560183664       13.8225203722
  C        12.6451132833       16.5582062663       14.1317610693
  C        11.3071082429       19.6451738302       14.3643557964
  C        11.4341890897       19.6982531656       15.8992403358
  P        13.1135623397       20.1851693953       16.5319984671
  C        12.9697744327       21.9855933049       16.9780392360
  C        13.9855545317       22.4773932392       18.0345847721
  C        14.0208515207       24.0180189415       18.1506976912
  C        14.0717745233       24.7471794256       16.8019692451
  C        12.9240780032       24.2753436892       15.9086434868
  C        13.1099243688       22.7770857161       15.6642514810
  C        13.3021907597       19.2303617932       18.1139078674
  C        13.5508776386       17.7409394244       17.8062984033
  C        14.0374535636       17.0200644194       19.0690825938
  C        13.0262685173       17.1562059690       20.2179492067
  C        12.6031193392       18.6176824163       20.4607295463
  C        12.1938132883       19.3750840085       19.1755794120
  C        16.4160001057       19.6559659070       16.3421756671
  C        16.4533758361       20.8412302048       15.6041171685
  C        17.3444555227       20.5685116216       14.3774125752
  C        16.4861608736       19.5739099465       13.5596235591
  C        16.4514150263       18.3931150414       14.2994418742
  C        17.2877013267       18.6429004926       15.5731900741
  C        18.3794532534       19.5846790963       14.9897493880
  H        13.9512121272       19.7102230581       11.4934553267
  H        12.6966761335       22.2018394438       12.7467127473
  H        14.3681818968       21.6578629078       12.8924223442
  H        14.1205122983       23.3812688243       11.0563562001
  H        14.7181880074       21.8309353019       10.4736283892
  H        12.9920433901       22.6920240156        8.9240712029
  H        11.8167988477       22.8107324361       10.2287568712
  H        11.4199177182       20.7109570440        8.9575600870
  H        13.1062259047       20.2315205598        9.1846853405
  H        11.6668598428       19.0231556074       10.7841980249
  H        11.0020740561       20.5269275487       11.3987134116
  H        11.6166656207       17.4517131331       12.4334037667
  H        13.4661776854       17.5955024185       10.8744053712
  H        14.6617622413       17.2932568943       12.1285822083
  H        12.5807378753       15.2742174769       11.1164268547
  H        14.3066248088       15.2572362930       10.7629015293
  H        13.8471978159       13.6605178453       12.6172492710
  H        14.7622296441       15.0154234477       13.2587488313
  H        11.7100695077       14.7204371363       13.4194220806
  H        12.8282250356       14.5217588584       14.7700561702
  H        11.7858410985       16.8005232004       14.7751249934
  H        13.5474697303       16.8115801946       14.7108759056
  H        10.5457197164       18.8998424918       14.0904427002
  H        10.9599060756       20.6048398914       13.9562390667
  H        10.6693673828       20.3467519509       16.3494259476
  H        11.2820319446       18.6921872181       16.3128720316
  H        11.9495442844       22.1350942861       17.3668029671
  H        13.7376412227       22.0615974344       19.0226586451
  H        14.9912636087       22.1066420965       17.7942033517
  H        13.1241429583       24.3565948717       18.6876720474
  H        14.8808209831       24.3075019466       18.7695015685
  H        14.0367965044       25.8320313145       16.9668838269
  H        15.0257443020       24.5559772810       16.2887933236
  H        12.8892074566       24.8153472948       14.9535637523
  H        11.9597392994       24.4514311049       16.4064625314
  H        12.4162779816       22.3940121077       14.9052443780
  H        14.1219843754       22.6052735208       15.2628232403
  H        14.2241208830       19.6445212527       18.5565790180
  H        12.6153604776       17.2787632051       17.4550991641
  H        14.2778812033       17.6394200710       16.9856420365
  H        14.2267706450       15.9598679100       18.8468873703
  H        15.0048968685       17.4510915708       19.3679208776
  H        12.1414756386       16.5409880655       19.9994565593
  H        13.4610259269       16.7459400258       21.1412988430
  H        11.7735245325       18.6423163004       21.1833639258
  H        13.4409419727       19.1589676820       20.9276387882
  H        11.2427917088       18.9811568677       18.7929550979
  H        12.0178173462       20.4304166688       19.4191741143
  H        16.0884517405       19.5288270225       17.3707598298
  H        16.1738917276       21.8390040216       15.9385278521
  H        17.7145864114       21.4470905742       13.8439108715
  H        16.2761070205       19.6800584561       12.4975507383
  H        16.1890771433       17.3999240923       13.9397033372
  H        17.5988106794       17.7587082749       16.1333957691
  H        18.9896770163       19.0920475869       14.2233011877
  H        19.0252715861       20.0435861237       15.7475541368
 Rh         6.0003278229       10.0787401404       14.9920220476
  P         4.1761662679        9.5695277040       13.6472670262
  C         3.6971036067        7.8396124339       13.1120048965
  C         3.6139711278        6.8762754915       14.3191034731
  C         3.6307521168        5.3982401473       13.8893094274
  C         4.8530490700        5.0916530867       13.0210395217
  C         4.7575072280        5.8945113345       11.7253482482
  C         4.6948859091        7.3989894580       12.0215537354
  C         2.6017504815       10.2159687502       14.3950717144
  C         2.6703232431       10.1310467352       15.9208110643
  P         4.3665484408       10.6251951610       16.5087734139
  C         4.1388362778       12.3835345521       17.0332138686
  C         3.9628068967       13.2838912611       15.7897312756
  C         4.0575667869       14.7753170282       16.1356716977
  C         5.3744772091       15.0536034071       16.8654078402
  C         5.4124172387       14.2848574171       18.1869065329
  C         5.3018385875       12.7758329204       17.9661647077
  C         4.6305639418        9.6916690976       18.0691567355
  C         4.9861748847        8.2162931028       17.8123554990
  C         5.2585493612        7.5092650344       19.1468532268
  C         4.0290961801        7.6023707981       20.0629518746
  C         3.4172317742        9.8110670331       18.9983846252
  C         3.6641932694        9.0724534859       20.3182655995
  C         4.3995516134       10.5289719737       12.0823722569
  C         4.7155137867       12.0163288826       12.3441222681
  C         4.9603446433       12.7759688792       11.0272563902
  C         3.8423347077       12.5632247275        9.9933945894
  C         3.5028292767       11.0794660888        9.8000952599
  C         3.2173913807       10.3624941186       11.1245516100
  C         7.8853846171       11.2045286614       15.5500698359
  C         7.6041701416        8.6904813828       14.3576130704
  C         8.5240959396        8.9341115597       15.5711999117
  C         9.6566812261        9.7600450967       14.9012724419
  C         8.6713795914       10.7928168944       14.2873664840
  C         7.7906447049       10.0516930414       16.3454772410
  C         7.6912767459        9.8456947034       13.5616493687
  H         2.6861830926        7.9326223134       12.6795222288
  H         4.4638404629        7.0557921528       14.9939637465
  H         2.7037660763        7.0837767636       14.9028468116
  H         2.7233856498        5.1529883954       13.3209309677
  H         3.6110986551        4.7724970016       14.7887215125
  H         5.7738388635        5.3604723315       13.5612633171
  H         4.9299076031        4.0170827730       12.8061701756
  H         5.6257211190        5.7149420217       11.0764717562
  H         3.8742590395        5.5686550896       11.1577057651
  H         4.4641033462        7.9379700662       11.0972344830
  H         5.7006843225        7.7218585673       12.3233015927
  H         2.4937639834       11.2596934689       14.0716694035
  H         1.7421698447        9.6615320455       13.9939131520
  H         1.9143905108       10.7725083997       16.3954156393
  H         2.4862895794        9.1028877744       16.2613130395
  H         3.1997654052       12.4278544614       17.6064122468
  H         4.7298571279       13.0426145638       15.0385173228
  H         2.9898145980       13.0664385874       15.3258173474
  H         3.9731162302       15.3663537063       15.2123175303
  H         3.2089450152       15.0686901107       16.7705151016
  H         5.5201300690       16.1262686273       17.0457021448
  H         6.2151661067       14.7332643287       16.2309376282
  H         6.3369593342       14.4972281244       18.7377250230
  H         4.5812966119       14.6181973653       18.8235335663
  H         6.2542962240       12.3986506250       17.5657157810
  H         5.1597074123       12.2757870182       18.9349721608
  H         5.5031587672       10.1756095130       18.5376616483
  H         5.8454385177        8.1405361002       17.1282165659
  H         4.1426600850        7.7225527927       17.3082606183
  H         6.1149525274        7.9933075186       19.6397940174
  H         5.5507098457        6.4647448946       18.9700457023
  H         4.2068326215        7.0809071198       21.0126716037
  H         3.1818483006        7.0945756574       19.5785832577
  H         3.1621375203       10.8636869055       19.1761313318
  H         2.5540314020        9.3585898241       18.4939330348
  H         4.4920120332        9.5627149671       20.8547353955
  H         2.7714318458        9.1556340117       20.9537228877
  H         5.2920224006       10.0762973611       11.6195464466
  H         5.6003715563       12.1023077968       12.9977446305
  H         3.8828248367       12.4828952639       12.8903895034
  H         5.0661391143       13.8484232564       11.2434438321
  H         5.9224891713       12.4546183649       10.6046950627
  H         4.1505253687       12.9959002819        9.0300654577
  H         2.9398680348       13.1091403028       10.2997088678
  H         2.6353128048       10.9633542509        9.1357239840
  H         4.3527449765       10.5723305874        9.3161438570
  H         2.3017613861       10.7486964144       11.5928238786
  H         3.0373691286        9.2999610414       10.9306495273
  H         7.7613623411       12.2269865217       15.8803697772
  H         7.2295488344        7.7180883741       14.0673305654
  H         8.7960154292        8.0498426609       16.1551286374
  H        10.3595402598       10.2024789612       15.6172082904
  H        10.2011206524        9.1901776958       14.1439265393
  H         9.0786697226       11.6121521724       13.6867838060
  H         7.5597137019       10.0169063430       17.3998918480
  H         7.3799222339        9.9561880581       12.5320602017
 Rh        12.6656078326        9.7311827223        4.7110598468
  P        14.3122226056       10.0765996941        6.1604170059
  C        14.4299398948       11.8849510235        6.6707515511
  C        14.7431022020       12.8581191196        5.5179239130
  C        14.7497844688       14.3286942249        5.9864016121
  C        13.4909386802       14.7073872793        6.7732351174
  C        13.3279889741       13.7757215876        7.9746270058
  C        13.1907996716       12.3296748231        7.4731545977
  C        15.9727261695        9.6760599114        5.4097477271
  C        15.9224103345        9.9317904980        3.8957172476
  P        14.2964553429        9.4083986197        3.1907497987
  C        14.3445030800        7.6105481179        2.6887624955
  C        14.5572990597        6.6885491272        3.9075048128
  C        14.4329212213        5.2005611276        3.5403650999
  C        13.0916249849        4.9186198732        2.8557674741
  C        12.9758913495        5.7648975506        1.5849877502
  C        13.0579348375        7.2632499905        1.9032722633
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  C        14.1564812074        9.2330313552        7.7804643518
  C        13.7358960283        7.7602885543        7.6646620311
  C        13.3638735855        7.2067433957        9.0473987717
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  H        13.8646039477       10.2818251616       -1.1160832639
  H        15.5518068235       10.5780886835       -1.5570180813
  H        13.3144627539        9.7804319495        8.2359458398
  H        12.9080440437        7.6549932797        6.9555685460
  H        14.5744175760        7.1736616538        7.2638677282
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  H        15.9420264527        8.8534100701       10.7163265213
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  H        15.6103893011       10.4596218199        8.8379287347
  H        10.2768829880       10.1610992733        2.4639642422
  H        11.1961847260        9.1391575443        7.1889687907
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  H         8.4433019029        8.2004537244        5.4571912225
  H         9.9614080434        7.8398007063        3.2754774184
  H         9.1255806444       11.4732856172        4.1436817749
  H        11.5461218735        7.2676029452        5.2793751744
  F         8.5070343249       11.5988378826        1.4628553405
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  F         6.4867990732       12.3743430210        1.0284649823
  F         7.3498763480       10.8260885344       -0.2545423212
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  C         7.0906825916        8.8615067628        1.7306617949
  C         6.4662896176        7.8546044773        2.4611227720
  C         5.5045031080        8.1652670323        3.4361850111
  C         5.1327502089        9.4902185317        3.7352604575
  C         5.7058204732       10.4845641185        2.9115500925
  B         4.2368515074        9.8854591710        5.0629299153
  C         3.2318591752        8.6920845797        5.5574750013
  C         2.5477241271        7.8732471791        4.6469263880
  C         1.6464350042        6.8831967041        5.0626101097
  C         1.3106427284        6.7384918630        6.4118851054
  C         1.9239352831        7.6029780413        7.3285817170
  C         2.8914215954        8.5248114770        6.9122090683
  C         1.5981035986        7.5248670615        8.7950876068
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  F         2.6912306964        7.1598737729        9.5373688109
  F         1.1802898572        8.7279710939        9.3112744186
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  F         2.1785861654        5.2412077636        3.4429769459
  F         0.1919087778        5.0721412082        4.3301099277
  F         0.6509422862        6.7253523354        2.9280725548
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  C         5.9464876391        9.1743820586        6.9103699646
  C         6.8743902398        9.3842943224        7.9331265139
  C         7.3160701808       10.6697409549        8.2502485869
  C         6.8015005182       11.7413466023        7.4987696474
  C         5.8150941692       11.5184844582        6.5256091318
  C         7.3275433753       13.1413549633        7.7008311126
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  F         6.3535137658       14.0819036751        7.4851433613
  F         8.3368103289       13.4782335690        6.8180543531
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  F         7.4274390176        7.0973231165        7.7782100171
  F         6.2872640233        7.7336082739        9.5346178470
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  C         2.6033113647       11.2626577864        3.5442941439
  C         1.6637311515       12.2660650964        3.2924798233
  C         1.2945809096       13.1813138649        4.2735072351
  C         1.8442708260       13.0228626584        5.5437553142
  C         2.7542520573       11.9857373021        5.8127033924
  C         1.1090676891       12.3785619497        1.9163527654
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  F         1.8940009042       13.1554672648        1.0977296956
  F        -0.1552535489       12.9033317959        1.9037285530
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  F         7.5002359197        5.8835517864        3.2985652616
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  H         5.3812525267       12.3806161759        6.0180611391
  H         2.8671630275       10.5775315385        2.7449233267
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  H         3.1198484722       11.8737369125        6.8343414191
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  F        11.2158667106        9.0168114022       20.2289327502
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  C        11.3975339887       11.0375639119       18.1924564681
  C        11.8621937381       12.0119802605       17.3054531643
  C        12.7364061701       11.6795685833       16.2620695786
  C        13.2353730916       10.3804590897       16.0869028490
  C        12.7885080015        9.4189611492       17.0216760035
  B        14.1540338888        9.9768090482       14.7837390776
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  C        15.8036367231       12.0105623871       15.2542948741
  C        16.7145119875       12.9971186474       14.8531967702
  C        17.0773372939       13.1352673085       13.5084961752
  C        16.4864182634       12.2818624995       12.5702941035
  C        15.5345419572       11.3378768074       12.9754081681
  C        16.8217750127       12.3946086771       11.1027815476
  F        17.8193850299       13.2815539969       10.8559114578
  F        15.7440421476       12.8136055279       10.3449220021
  F        17.2339915266       11.1929366098       10.5638022592
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  F        18.1473122231       14.8362756446       15.4062992998
  F        17.8406621446       13.2537993734       16.9394082323
  C        13.0680695367        9.6283534036       13.5891325888
  C        12.4509814465       10.6643592074       12.8547056155
  C        11.4559574579       10.4153340997       11.8992367517
  C        10.9971092345        9.1162931681       11.6746827739
  C        11.6038058685        8.0730982378       12.3787335305
  C        12.6282720151        8.3215597563       13.2954577500
  C        11.0270196477        6.6978354106       12.2291787373
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  F        11.9227958515        5.6907487173       12.4650011934
  F        10.0064357652        6.4975174435       13.1309028544
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  F        10.6241762174       12.6632754176       11.7460977478
  F        11.7655322030       11.8852424508       10.0492669069
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  C        15.8793747757        8.5913633263       16.3015261134
  C        16.8162854193        7.5674716522       16.4722998114
  C        17.1067358313        6.6698040298       15.4424155432
  C        16.4823009931        6.8388622564       14.2146209514
  C        15.5663649649        7.8819308083       14.0310872342
  C        17.4878390670        7.2686519816       17.7747444022
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  F        16.7940861542        6.3150690017       18.4811490514
  F        18.7609130421        6.7889167285       17.5431780923
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  F        10.4785058579       13.7363686837       16.4302483197
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  F        17.3757492576        6.5271490199       12.0301334127
  F        15.6569636100        5.2703448723       12.6127958784
  C        16.7864012744        5.8853618461       13.0941917648
  H        10.6728625066       11.2895117629       18.9637147964
  H        13.0250617991       12.4699319352       15.5672881610
  H        13.1473478144        8.3980677810       16.9503175389
  H        15.5891872907       11.8951976887       16.3168283795
  H        17.7894811197       13.8972392606       13.2057963628
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  H        12.7553569385       11.6951122198       13.0361840832
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  H        13.0851237398        7.4665321154       13.7918358276
  H        15.6842384795        9.2738385979       17.1291073451
  H        17.8062708231        5.8577963281       15.6041331786
  H        15.1206056995        8.0191506961       13.0489737619
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  F         3.3594810590       17.0944692827       18.6371727939
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  C         4.1692385115       19.0389302792       16.8654979866
  C         4.6775890067       20.0138284327       15.9780217789
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  C         3.4435965958       21.6715025489       17.3031736100
  C         2.9980884876       20.7027686711       18.2028323356
  C         2.9246390651       23.0684149925       17.4348458943
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  F         3.9030640890       24.0264250311       17.3048527543
  F         1.9930148708       23.2937491124       16.4315644409
  B         5.6107230968       19.6404298911       14.6768292592
  C         6.6809360577       18.4433277149       14.9719218037
  C         7.3024854060       18.3151836087       16.2269915611
  C         8.2532723339       17.3192665174       16.4696795821
  C         8.6295967202       16.4140434845       15.4799178130
  C         8.0616099253       16.5587513374       14.2136124515
  C         7.1278790981       17.5737963061       13.9629045800
  C         8.4250617754       15.6022660805       13.1149235444
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  F         9.2150368843       14.5707429721       13.5625664074
  F         9.1086859461       16.2281420134       12.0994405057
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  F        10.0152920033       16.5635416641       17.8935743715
  F         7.9543112717       16.3800460759       18.6294166528
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  C         7.1971213403       21.7087684031       15.2385856951
  C         8.1700693122       22.6552065682       14.8996407255
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  C         8.0520632602       21.9612462929       12.6124520023
  C         7.0849245679       21.0125833808       12.9574592856
  C         8.4075745755       22.1078712534       11.1621832939
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  F         9.3806199813       23.0308215454       10.9279334726
  F         7.3267783791       22.5136721073       10.4119024054
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  F         7.6882491988       24.3566034337       16.5043044989
  F         9.2722474928       22.8892817736       17.0068665702
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  C         4.0702519139       17.9611921559       13.2713921731
  C         3.1045328008       17.6813109835       12.2879309525
  C         2.5988266749       18.6903891877       11.4729304894
  C         3.0410654223       19.9999407589       11.6810096818
  C         4.0051611485       20.2738254257       12.6603948795
  C         2.4096387784       21.1063171588       10.8803985501
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  F         1.0988947150       21.3280396397       11.2592039452
  F         3.0377058772       22.3135846543       10.9976993227
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  F         3.4292702153       15.3094541175       12.3970489071
  F         1.5242821414       16.1216985786       13.1294503653
  H         4.4006572409       17.9893214349       16.7038138241
  H         4.5521933466       22.1180433715       15.5193129422
  H         2.3744986830       20.9858876552       19.0464179514
  H         7.0496029334       19.0053055644       17.0290579265
  H         9.3376266457       15.6191396060       15.6927094413
  H         6.7366680231       17.6873622670       12.9523649464
  H         6.8788129013       21.6344534784       16.2781475080
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  H         6.6805252332       20.3745986811       12.1737844327
  H         4.4441967100       17.1415738741       13.8829780652
  H         1.8747949639       18.4503514314       10.6939758993
  H         4.3393749375       21.3000721620       12.7827491559
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  F        15.0442380040        2.8699427056        1.1041657776
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  C        14.2722543153        0.9270759134        3.0284698031
  C        13.7686055001       -0.0627391176        3.9023998245
  C        14.2139909390       -1.3757310534        3.6761558720
  C        14.9970169669       -1.7118746102        2.5687546015
  C        15.4045510175       -0.7361507565        1.6589568738
  C        15.4647072770       -3.1241026968        2.3890326843
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  F        14.4459747786       -4.0462293803        2.4974875325
  F        16.4082286421       -3.4522322907        3.3580898508
  B        12.8092334125        0.2495447938        5.1927839895
  C        11.7282430631        1.4461848812        4.8882755815
  C        11.1218834801        1.5410739283        3.6175874179
  C        10.1508012846        2.5078208351        3.3308953218
  C         9.7258927547        3.4086800886        4.3133946806
  C        10.3028748868        3.3240864670        5.5782403708
  C        11.2784825878        2.3564100021        5.8624960661
  C         9.9322697871        4.3010382802        6.6582591214
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  F         9.1271604568        5.3281715724        6.2334271084
  F         9.2996400128        3.6781809066        7.7035464708
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  F         8.4086119458        3.3367406346        1.9067390728
  F        10.4693844238        3.4706152284        1.1716129788
  C        11.8330726887       -1.0165945186        5.5698364794
  C        11.3184834244       -1.9141804476        4.6152480298
  C        10.3219699118       -2.8434215030        4.9360489755
  C         9.8311104692       -2.9643303365        6.2385949149
  C        10.3460665814       -2.0980178912        7.2017180837
  C        11.3127969553       -1.1429655032        6.8697090865
  C         9.9444340314       -2.1956356907        8.6408810666
  F         9.5867390346       -0.9767278856        9.1669111523
  F         8.9044630294       -3.0524385597        8.8722305469
  F        11.0135196082       -2.6160796786        9.3955461678
  C         9.7587812121       -3.7083202172        3.8513340335
  F         8.8172880819       -4.5700669168        4.3248021808
  F        10.7215166331       -4.4570378639        3.2250278063
  F         9.1436491207       -2.9686624220        2.8595607691
  C        13.8664517690        0.5996120944        6.3858657134
  C        14.3561023799        1.8958179034        6.5998867184
  C        15.3175474711        2.1871341135        7.5765483260
  C        15.8294510918        1.1755772391        8.3931058177
  C        15.4082598440       -0.1318426590        8.1394228250
  C        14.4586286109       -0.4206705553        7.1592489854
  C        16.0250411477       -1.2328635252        8.9379181459
  F        16.0439698758       -0.8805102721       10.2721593442
  F        17.3294083115       -1.4922956614        8.5823254955
  F        15.3729577205       -2.4194010261        8.8074331113
  C        15.8730328578        3.5774571944        7.6571343274
  F        16.4733024411        3.8603590595        8.8565946212
  F        14.9155151072        4.5284573712        7.4144600342
  F        16.8231901327        3.7850584658        6.6764935242
  H        14.0443163052        1.9777596543        3.2074885753
  H        13.9363073497       -2.1547403403        4.3855678235
  H        15.9762732991       -1.0106562532        0.7782038237
  H        11.4288239912        0.8370198569        2.8438753351
  H         8.9774636239        4.1584405054        4.0835484938
  H        11.6999174284        2.3297781155        6.8676477112
  H        11.6957892254       -1.8988944919        3.5932528500
  H         9.0942338896       -3.7209266706        6.4904303561
  H        11.6670466861       -0.4784636882        7.6554759719
  H        13.9830301205        2.7135721992        5.9824954230
  H        16.5309368307        1.3981710615        9.1928784755
  H        14.1802145552       -1.4587800107        6.9957782178
  H        10.7348909955       11.8272139481        4.7900269385
  H        11.7232409622       10.1730298550        3.2702903046
     646
 i =       57, E =         0.0220552501
 Rh         3.6188887116        0.2276537564        4.8202151582
  P         5.3837174383        0.6357120085        6.2748695933
  C         5.2607717093       -0.2664592496        7.8820698736
  C         4.8040413994       -1.7207756305        7.6779474322
  C         4.5288043725       -2.4024237544        9.0264441530
  C         5.7084744299       -2.2495483514        9.9990040667
  C         6.1971500955       -0.8007705418       10.1505867738
  C         6.5014068823       -0.1587514028        8.7860220383
  C         5.6706037749        2.3975913920        6.7795532508
  C         4.6719758378        2.8005168757        7.8917045400
  C         4.5911921065        4.3148938653        8.1557464889
  C         4.5243573634        5.1287801156        6.8608278098
  C         5.7307533785        4.7825140539        5.9852562415
  C         5.5997037659        3.3205272674        5.5473637487
  C         6.9920274358        0.0938233220        5.4938088859
  C         6.9447099483        0.2352505519        3.9667120637
  P         5.2949627433       -0.2386581733        3.2650122527
  C         5.4355555063       -2.0263603589        2.7485195354
  C         4.3045776639       -2.4252066215        1.7813269905
  C         4.3780551447       -3.9122106066        1.4185388654
  C         4.2174113461       -4.7597195149        2.6819817092
  C         5.3306373068       -4.4292224372        3.6821113441
  C         5.3850316961       -2.9241638056        4.0053257319
  C         5.1990601501        0.7255765200        1.6891953500
  C         4.9281029510        2.2278316548        1.9128898688
  C         4.4305723063        2.8306880809        0.5897973414
  C         5.4637667495        2.6230207776       -0.5304840873
  C         5.9204644145        1.1585282329       -0.6604735882
  C         6.3675718033        0.5731160766        0.6934916061
  C         1.8713677068        0.3071795384        3.4593214553
  C         1.8960548126       -0.9509963223        4.0662006640
  C         1.0494834680       -0.8485372032        5.3434213292
  C         1.8976101312        0.0815036561        6.2388855526
  C         1.8597737697        1.3413550922        5.6378410468
  C         0.9955197720        1.1963926604        4.3662499429
  C        -0.0392543778        0.1616424638        4.8900841178
  H         4.4394504694        0.2590357837        8.3952005315
  H         5.5644747743       -2.2877114957        7.1215947389
  H         3.8988798971       -1.7212395961        7.0516116286
  H         4.3253265003       -3.4702778284        8.8615708687
  H         3.6116558011       -1.9800102115        9.4608848901
  H         5.4375791381       -2.6619406123       10.9811189512
  H         6.5467796674       -2.8551047650        9.6303799266
  H         7.1032296849       -0.7791594105       10.7749771521
  H         5.4391087162       -0.1927854732       10.6691380826
  H         6.8037666195        0.8883451936        8.9238787182
  H         7.3586783215       -0.6657496564        8.3260417115
  H         6.6950112508        2.4457705559        7.1820480758
  H         4.9527583581        2.2964903018        8.8266178123
  H         3.6704889344        2.4274045743        7.6349193628
  H         5.4742092141        4.6375712088        8.7255189161
  H         3.7197598259        4.5143858226        8.7956521463
  H         4.4713752319        6.2012613810        7.0873522750
  H         3.6062443507        4.8857529950        6.3047066196
  H         6.6549490372        4.9103939155        6.5668993656
  H         5.8181746417        5.4432384027        5.1145894542
  H         6.3725802548        3.0469256831        4.8153711889
  H         4.6301327383        3.1804664609        5.0412228558
  H         7.8266377710        0.6723984914        5.9145071064
  H         7.1499692129       -0.9545461974        5.7837650059
  H         7.7473896688       -0.3285840799        3.4702930614
  H         7.0709342775        1.2891817613        3.6816555974
  H         6.4067932750       -2.1454383954        2.2397383212
  H         4.2875941872       -1.8004934865        0.8801145904
  H         3.3427870887       -2.2618505412        2.2825214129
  H         5.3385609304       -4.1381796636        0.9324617041
  H         3.5924277453       -4.1453926334        0.6900657707
  H         4.2113334844       -5.8307261776        2.4370433253
  H         3.2331279672       -4.5504125635        3.1276029617
  H         5.1883688988       -4.9822824400        4.6224577557
  H         6.2956889935       -4.7547204465        3.2674405907
  H         6.2438448326       -2.7191447590        4.6598904449
  H         4.4853121015       -2.6409037458        4.5760730832
  H         4.3037718003        0.3077311044        1.2012265238
  H         5.8588639230        2.7315207361        2.2160784671
  H         4.2041718736        2.3845583504        2.7260188019
  H         4.2129298617        3.9013412987        0.7077438321
  H         3.4774315493        2.3482378800        0.3257928885
  H         6.3410303497        3.2504786742       -0.3168925138
  H         5.0566970583        2.9780769797       -1.4881996677
  H         6.7369121222        1.0857935878       -1.3941790369
  H         5.0925216068        0.5427991474       -1.0466078391
  H         7.2383403335        1.1293089217        1.0608136936
  H         6.6902903722       -0.4688864559        0.5745098741
  H         2.1595333694        0.5520724410        2.4413416752
  H         2.1900926197       -1.8952663524        3.6204305459
  H         0.7381545042       -1.7983376598        5.7849485916
  H         2.1250225365       -0.1260630657        7.2811742587
  H         2.0496463472        2.2930101770        6.1263666881
  H         0.6281348640        2.1223310019        3.9170442999
  H        -0.6111235095        0.5505359808        5.7392897513
  H        -0.7161207448       -0.2262719655        4.1235959690
 Rh        14.7214920923       19.6441691997       14.9472658440
  P        12.9241935729       19.1982724008       13.5125819883
  C        13.0807526811       20.1929633781       11.9640001267
  C        13.4931183240       21.6522007683       12.2218245967
  C        13.8344197548       22.3351493324       10.8889360861
  C        12.6850212829       22.2363091368        9.8757927652
  C        12.2695954216       20.7750840275        9.6538979345
  C        11.9094889300       20.0766120872       10.9770608389
  C        12.6234495170       17.4677474779       12.8899197558
  C        13.6412726259       17.0399395961       11.8092145960
  C        13.5687680139       15.5293435542       11.5307162362
  C        13.7901284562       14.7369886458       12.8223143715
  C        12.6759533347       15.0552274780       13.8231986206
  C        12.6463684638       16.5570664355       14.1348745539
  C        11.3080924337       19.6453998628       14.3634551121
  C        11.4323236659       19.6963520350       15.8989752444
  P        13.1121072739       20.1840967560       16.5315055682
  C        12.9687995051       21.9849493231       16.9769663997
  C        13.9858554711       22.4759858849       18.0328410442
  C        14.0199768183       24.0163404406       18.1513443830
  C        14.0720587162       24.7463671113       16.8032604040
  C        12.9249802485       24.2761203585       15.9082732433
  C        13.1070057388       22.7772951886       15.6631450445
  C        13.3040050584       19.2301271740       18.1130145948
  C        13.5525417187       17.7404755171       17.8063962345
  C        14.0376439016       17.0199547852       19.0699844289
  C        13.0252382815       17.1567767173       20.2177614190
  C        12.6040801106       18.6188504056       20.4604638339
  C        12.1960025164       19.3752563817       19.1746040217
  C        16.4173774455       19.6549816378       16.3437172332
  C        16.4537181514       20.8407467414       15.6047038615
  C        17.3432732497       20.5676421723       14.3772418154
  C        16.4842844694       19.5740950348       13.5594307418
  C        16.4497364868       18.3923388844       14.2991630914
  C        17.2872423051       18.6416696084       15.5721477471
  C        18.3787297791       19.5841591576       14.9896545658
  H        13.9531480311       19.7083280459       11.4933905790
  H        12.6939505806       22.2002521027       12.7417110078
  H        14.3667291980       21.6613829197       12.8935396023
  H        14.1197669448       23.3824471735       11.0568789682
  H        14.7205170856       21.8342485663       10.4721021186
  H        12.9914204549       22.6925918552        8.9233937168
  H        11.8182759844       22.8119947580       10.2296988010
  H        11.4184577791       20.7119718091        8.9599559377
  H        13.1051638395       20.2321145862        9.1840104633
  H        11.6663951472       19.0240681709       10.7849569035
  H        11.0048846202       20.5285283502       11.4015579467
  H        11.6178321231       17.4515395687       12.4375206234
  H        13.4654358804       17.5961688599       10.8777008779
  H        14.6625534718       17.2929599487       12.1301574613
  H        12.5822308888       15.2744314120       11.1157283595
  H        14.3085271018       15.2584517446       10.7642950236
  H        13.8452102487       13.6594780918       12.6166609318
  H        14.7628773382       15.0122878849       13.2586429106
  H        11.7103117877       14.7216310572       13.4191440484
  H        12.8277523600       14.5188273867       14.7696627510
  H        11.7864954282       16.7982992814       14.7779936022
  H        13.5480230241       16.8097705080       14.7152743229
  H        10.5459267986       18.9025312188       14.0853591424
  H        10.9644784563       20.6072115050       13.9573749880
  H        10.6668746354       20.3455067113       16.3473236641
  H        11.2776929856       18.6904932108       16.3124231414
  H        11.9494356989       22.1342183659       17.3676371546
  H        13.7393598477       22.0581864062       19.0203713917
  H        14.9918608619       22.1071993632       17.7909345330
  H        13.1229956388       24.3540725032       18.6884678862
  H        14.8796940361       24.3051047751       18.7707786891
  H        14.0367580373       25.8311457230       16.9688989669
  H        15.0267378975       24.5556212309       16.2913941801
  H        12.8932810788       24.8161195765       14.9530862654
  H        11.9602454899       24.4547751788       16.4043077473
  H        12.4093870348       22.3968585528       14.9062472836
  H        14.1170038267       22.6031559438       15.2578055785
  H        14.2268259231       19.6448932584       18.5532592204
  H        12.6170365532       17.2783671664       17.4549163324
  H        14.2801169571       17.6381700403       16.9864116351
  H        14.2263365646       15.9596012532       18.8479545164
  H        15.0051945268       17.4503121445       19.3695071837
  H        12.1397641511       16.5433608976       19.9970205984
  H        13.4575257385       16.7450914527       21.1415038254
  H        11.7736933558       18.6453490659       21.1820797705
  H        13.4423211373       19.1590012514       20.9279046207
  H        11.2460092681       18.9793725141       18.7914419273
  H        12.0183293130       20.4305928106       19.4167741816
  H        16.0965452372       19.5303772672       17.3741665940
  H        16.1756359011       21.8380471616       15.9400997176
  H        17.7126092403       21.4464117920       13.8432897688
  H        16.2712182972       19.6816003621       12.4987866128
  H        16.1848228472       17.4003326192       13.9392779688
  H        17.5988112921       17.7568093557       16.1312548605
  H        18.9915355872       19.0927323915       14.2247721912
  H        19.0214519706       20.0432939205       15.7498739400
 Rh         5.9994196719       10.0782786047       14.9917268562
  P         4.1757253719        9.5704897243       13.6460565540
  C         3.7015951105        7.8397070818       13.1115998927
  C         3.6169604952        6.8770419562       14.3191882512
  C         3.6314218495        5.3987853364       13.8902138000
  C         4.8533363271        5.0909693088       13.0219357214
  C         4.7590348384        5.8945660647       11.7264043488
  C         4.7006167123        7.3993446441       12.0220563804
  C         2.6010309670       10.2163762070       14.3944894949
  C         2.6702193028       10.1310647689       15.9203102950
  P         4.3656453615       10.6250200961       16.5097252948
  C         4.1382604782       12.3837632556       17.0344520576
  C         3.9636288879       13.2838690847       15.7906505947
  C         4.0584167699       14.7756364078       16.1354187925
  C         5.3751745903       15.0550707073       16.8648083708
  C         5.4126159485       14.2857030051       18.1860867576
  C         5.3024936320       12.7765200940       17.9654800329
  C         4.6279635204        9.6906737874       18.0704455070
  C         4.9845266621        8.2154568455       17.8129895488
  C         5.2576520871        7.5082095809       19.1473592307
  C         4.0293311366        7.6019271925       20.0649713070
  C         3.4156382261        9.8108956229       19.0014235928
  C         3.6635282020        9.0715533128       20.3209820777
  C         4.3980302992       10.5290012520       12.0805644175
  C         4.7146681990       12.0159201929       12.3426913156
  C         4.9616769671       12.7750005130       11.0261019233
  C         3.8429469539       12.5640937749        9.9926540669
  C         3.5031375205       11.0806029322        9.7974701322
  C         3.2159618450       10.3640820172       11.1220666253
  C         7.8818263975       11.2017219228       15.5498350916
  C         7.6036373321        8.6917048979       14.3568018804
  C         8.5227440714        8.9335027208       15.5715438695
  C         9.6554244767        9.7602100188       14.9024387429
  C         8.6703123771       10.7929918835       14.2874482834
  C         7.7886945637       10.0517142984       16.3442098572
  C         7.6911669926        9.8445130867       13.5618451699
  H         2.6916793157        7.9301696616       12.6766056353
  H         4.4668108020        7.0552492109       14.9945227511
  H         2.7068575399        7.0865105475       14.9022041568
  H         2.7234003646        5.1544968840       13.3224786804
  H         3.6114138835        4.7733181328       14.7897959023
  H         5.7740223892        5.3582351186       13.5630383715
  H         4.9291704506        4.0166755838       12.8059228669
  H         5.6252008841        5.7112641218       11.0758629943
  H         3.8732458464        5.5720054350       11.1609281702
  H         4.4700205837        7.9383135243       11.0976498474
  H         5.7071530060        7.7210324749       12.3227621694
  H         2.4928363114       11.2601128236       14.0709358002
  H         1.7409688695        9.6623225140       13.9940006627
  H         1.9137532595       10.7710660235       16.3959081200
  H         2.4880981976        9.1023405102       16.2599376088
  H         3.1995138754       12.4284686016       17.6083911971
  H         4.7326548621       13.0418189007       15.0415741432
  H         2.9918549675       13.0665376872       15.3244980869
  H         3.9736614078       15.3659063671       15.2116890992
  H         3.2101706625       15.0696160506       16.7706185005
  H         5.5188152227       16.1278308852       17.0460960478
  H         6.2164107835       14.7370319076       16.2299172372
  H         6.3360827311       14.4982233975       18.7386085602
  H         4.5801601636       14.6189548874       18.8210395576
  H         6.2540740632       12.3998893412       17.5625535401
  H         5.1629990014       12.2764658011       18.9346243784
  H         5.5010356617       10.1736967043       18.5388322876
  H         5.8449720972        8.1419365473       17.1299979131
  H         4.1429178835        7.7202686452       17.3074047558
  H         6.1154455194        7.9913613848       19.6386862077
  H         5.5480656027        6.4632589839       18.9705938419
  H         4.2082223078        7.0802690631       21.0144217842
  H         3.1818057784        7.0938986811       19.5814216145
  H         3.1626378224       10.8637067317       19.1807305284
  H         2.5505693587        9.3603080783       18.4984905888
  H         4.4905739378        9.5625785299       20.8580149322
  H         2.7707615497        9.1531828199       20.9566025570
  H         5.2903545654       10.0758067461       11.6179939794
  H         5.5981161112       12.1010658698       12.9981168432
  H         3.8810487112       12.4831943990       12.8870767966
  H         5.0696737851       13.8472095999       11.2423932995
  H         5.9231376869       12.4514991294       10.6034770086
  H         4.1494744291       12.9994142843        9.0301185314
  H         2.9405238675       13.1085059829       10.3017572340
  H         2.6354698471       10.9657873266        9.1330504501
  H         4.3525626253       10.5731842712        9.3129986728
  H         2.3014545459       10.7541753055       11.5891529306
  H         3.0324819927        9.3020220693       10.9290619498
  H         7.7524715641       12.2265878061       15.8775184363
  H         7.2287943906        7.7176298082       14.0662351360
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 Rh        12.6649584972        9.7370912725        4.7102568566
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  H        15.5622092487       12.6936595476       -0.2608709618
  H        15.4546298962        9.0147056369        0.3948345722
  H        16.1821364693       10.5423565882        0.8712207263
  H        13.8660537395       10.2841137453       -1.1176726694
  H        15.5547450051       10.5781463789       -1.5544063300
  H        13.3130538484        9.7752207382        8.2362968821
  H        12.9079549231        7.6531167974        6.9565646620
  H        14.5749540651        7.1708961706        7.2599022118
  H        13.0049289999        6.1709217874        8.9580661218
  H        12.5313490427        7.7864122919        9.4699272121
  H        14.3389567218        6.9368275720       10.9807029930
  H        15.3803675871        6.6534867673        9.5916905217
  H        15.9441242694        8.8504544070       10.7181235872
  H        14.2574303849        9.3541546120       10.5190306985
  H        16.2523129337        8.9396084144        8.2260978726
  H        15.6118755332       10.4572036583        8.8390104032
  H        10.2613035140       10.1628222861        2.4644601410
  H        11.1957796079        9.1458462922        7.1883624600
  H         9.1576518993       10.5684030881        6.5325554878
  H         8.0777534258        9.4956648962        4.2873441801
  H         8.4488688401        8.1983057085        5.4611241176
  H         9.9638417443        7.8380269570        3.2771450798
  H         9.1285625667       11.4818878596        4.1445476160
  H        11.5493202043        7.2733575354        5.2823101570
  F         8.5067912689       11.5988471497        1.4634268750
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  F         6.4865917764       12.3744181028        1.0286652049
  F         7.3500998696       10.8255794768       -0.2509571275
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  C         7.0866889136        8.8603735137        1.7283452765
  C         6.4648207126        7.8537097436        2.4610086425
  C         5.5048494418        8.1641449278        3.4381382482
  C         5.1327518609        9.4891294009        3.7363608271
  C         5.7059707450       10.4835890233        2.9130145443
  B         4.2368613566        9.8861981805        5.0635408148
  C         3.2314049989        8.6927545761        5.5589126435
  C         2.5495953001        7.8727578283        4.6476289123
  C         1.6470795689        6.8831205775        5.0621723732
  C         1.3095391423        6.7382122119        6.4107747424
  C         1.9217299038        7.6025794193        7.3283254341
  C         2.8887614904        8.5255688632        6.9130745204
  C         1.5967857474        7.5243510270        8.7950686649
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  F         2.6907466792        7.1599257936        9.5371700301
  F         1.1800463705        8.7278021623        9.3113708377
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  F         2.1786972421        5.2410778908        3.4429372289
  F         0.1920859456        5.0722474610        4.3301966111
  F         0.6509556561        6.7253938131        2.9280279996
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  C         5.9444711181        9.1760841207        6.9099985879
  C         6.8728283531        9.3833972971        7.9326990914
  C         7.3155825202       10.6692905585        8.2497946683
  C         6.8021577626       11.7400956188        7.4976666335
  C         5.8166122425       11.5200188741        6.5234464907
  C         7.3265863561       13.1412143209        7.7017079705
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  F         6.3587972027       14.0865157575        7.4827022412
  F         8.3349189611       13.4795915737        6.8181687710
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  F         7.4270826925        7.0974896034        7.7779322474
  F         6.2870953682        7.7334952488        9.5345774564
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  C         2.6043492244       11.2638082733        3.5437130652
  C         1.6648630880       12.2649596311        3.2912678175
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  C         1.8459253424       13.0227086248        5.5430700004
  C         2.7561747282       11.9866872317        5.8117565742
  C         1.1087385734       12.3788586646        1.9164001725
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  F         1.8944431929       13.1556330836        1.0977309167
  F        -0.1558137287       12.9032881234        1.9039552962
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  F         7.5000933895        5.8835036551        3.2985442332
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  F         0.8949017963       13.3804170879        7.6994729912
  F         2.6774042668       14.5674281940        7.1185968087
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  H         7.8824928667        8.6343132792        1.0236952915
  H         5.0397169231        7.3430205577        3.9813021342
  H         5.4148528619       11.5253174058        3.0435843033
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  H         5.3865395711       12.3818626909        6.0145194756
  H         2.8691641154       10.5789048548        2.7432057873
  H         0.6038815900       13.9903537213        4.0562130810
  H         3.1239114529       11.8751949309        6.8323452868
  F         9.9822425651        8.3887806548       18.4862411804
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  F        11.9343150752        7.4712476991       18.8449048244
  F        11.2166644057        9.0163755105       20.2289251979
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  C        11.3996509811       11.0380507981       18.1922651515
  C        11.8638011699       12.0116645772       17.3051498306
  C        12.7383900483       11.6797220727       16.2621308606
  C        13.2366126419       10.3791528727       16.0864371744
  C        12.7882912141        9.4181352094       17.0199706206
  B        14.1552206631        9.9762533471       14.7828376961
  C        15.1632928057       11.1776637418       14.3219614814
  C        15.8017970375       12.0131169171       15.2522843958
  C        16.7136648870       12.9985115724       14.8519886523
  C        17.0776674810       13.1368420884       13.5075561699
  C        16.4870291908       12.2824697032       12.5692773686
  C        15.5359535631       11.3380679136       12.9740337342
  C        16.8231755198       12.3954135133       11.1021553734
  F        17.8240609064       13.2807333860       10.8558051564
  F        15.7449130153       12.8140277666       10.3449374426
  F        17.2341740314       11.1929689131       10.5637134585
  C        17.2425439792       13.9360331528       15.9009436437
  F        16.2471686523       14.6703272834       16.4968127659
  F        18.1473021366       14.8365614115       15.4063250541
  F        17.8404235993       13.2537387230       16.9390806950
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  C        12.4498964549       10.6654081423       12.8544695969
  C        11.4560389451       10.4147762300       11.8976552255
  C        10.9988315891        9.1155770568       11.6737865603
  C        11.6031949439        8.0730215648       12.3794652005
  C        12.6262540439        8.3225029555       13.2984797881
  C        11.0272925315        6.6985137105       12.2294521408
  F        10.4965563810        6.4939124501       10.9931082010
  F        11.9227233481        5.6911468342       12.4650830325
  F        10.0066386081        6.4976352780       13.1309386743
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  F         9.7402933299       11.1784782286       10.4135493739
  F        10.6215831050       12.6634223100       11.7453715615
  F        11.7671750606       11.8825250967       10.0514138782
  C        15.2017277269        8.7519698093       15.0706662677
  C        15.8784109499        8.5886110973       16.3003399902
  C        16.8158604587        7.5664099302       16.4715846765
  C        17.1074591947        6.6682518422       15.4421595772
  C        16.4821085213        6.8378025246       14.2147883378
  C        15.5667024449        7.8808209354       14.0295171853
  C        17.4874767375        7.2683985721       17.7740300588
  F        17.6148238003        8.3300448033       18.6250695960
  F        16.7954685874        6.3139676458       18.4811329149
  F        18.7602945825        6.7888092092       17.5432275072
  C        11.3846571841       13.4262933924       17.4294032542
  F        10.7841908872       13.6694744184       18.6269817775
  F        10.4785834037       13.7362291674       16.4302096036
  F        12.4006495986       14.3378391538       17.3060493607
  F        17.6266435569        4.8720776981       13.4874305928
  F        17.3749501063        6.5284347675       12.0296928715
  F        15.6575297177        5.2704557625       12.6131985404
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  H        10.6764858019       11.2895482324       18.9644294463
  H        13.0291520378       12.4687654260       15.5676612917
  H        13.1451258551        8.3956165898       16.9469367470
  H        15.5842440952       11.8997841057       16.3142173091
  H        17.7893573138       13.8984942037       13.2043041743
  H        15.0658496211       10.7099245609       12.2201395021
  H        12.7542222806       11.6960253960       13.0350965157
  H        10.1749944608        8.9241959215       10.9942691255
  H        13.0810360185        7.4687219311       13.7994931309
  H        15.6811014240        9.2701030388       17.1285557231
  H        17.8066381122        5.8561749606       15.6036370234
  H        15.1220734731        8.0161187494       13.0470762727
  F         2.7313774499       18.6288080892       20.1440351416
  C         2.7385298970       18.2975448122       18.7998546058
  F         1.4159821673       18.0960453709       18.4729099363
  F         3.3634968311       17.0916761143       18.6387369179
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  C         4.1706390285       19.0382266062       16.8662851974
  C         4.6785206500       20.0135573186       15.9784330079
  C         4.2528065492       21.3311287697       16.2120315240
  C         3.4437903829       21.6708210636       17.3033833762
  C         2.9987237982       20.7006822525       18.2019732886
  C         2.9241009355       23.0692765822       17.4346803412
  F         2.2998138918       23.2933769861       18.6242746946
  F         3.9030724129       24.0269809781       17.3050527688
  F         1.9924594139       23.2940727251       16.4314984082
  B         5.6116414593       19.6407037828       14.6753596038
  C         6.6793729382       18.4417982088       14.9712330042
  C         7.3003031332       18.3128606562       16.2260238724
  C         8.2522301432       17.3189467247       16.4697400479
  C         8.6296158120       16.4129238360       15.4796104631
  C         8.0606962568       16.5576188865       14.2138796913
  C         7.1259049875       17.5711455367       13.9624547483
  C         8.4249009388       15.6016537918       13.1146441209
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  F         9.2152304919       14.5704583295       13.5624908162
  F         9.1087149569       16.2279767461       12.0994303256
  C         8.7855651729       17.1568361832       17.8535194570
  F         8.9095557259       18.3680785637       18.4857462158
  F        10.0160291491       16.5646532019       17.8932148897
  F         7.9553155353       16.3783415660       18.6297381102
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  C         7.1970738249       21.7096480744       15.2374961452
  C         8.1696638827       22.6566636567       14.8983730805
  C         8.6201228343       22.7897221955       13.5812742255
  C         8.0512148123       21.9624025162       12.6117273800
  C         7.0843957660       21.0133495490       12.9566345267
  C         8.4072456427       22.1081196186       11.1619526193
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  F         9.3805488608       23.0309205212       10.9278493669
  F         7.3265501906       22.5137356444       10.4116908813
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  F         9.6015329122       24.4682603911       15.4769036182
  F         7.6881221947       24.3566548283       16.5043781596
  F         9.2720175226       22.8893372618       17.0065222254
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  C         4.0686258607       17.9631509826       13.2706746075
  C         3.1037009387       17.6826927699       12.2886383649
  C         2.5961794162       18.6926308154       11.4733075016
  C         3.0405531313       20.0024561821       11.6826829492
  C         4.0035007141       20.2758512151       12.6610450694
  C         2.4086843279       21.1068990592       10.8805213641
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  F         1.0979816078       21.3289600744       11.2576606772
  F         3.0383850375       22.3122546214       10.9978570369
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  F         1.9326673645       16.0508188365       10.9840990589
  F         3.4291957441       15.3100074806       12.3970412633
  F         1.5242747481       16.1217277586       13.1295421401
  H         4.4043450954       17.9886058590       16.7016155927
  H         4.5530576677       22.1184262314       15.5215038884
  H         2.3723450838       20.9806648166       19.0454205813
  H         7.0458925254       19.0018742475       17.0289059326
  H         9.3384094162       15.6187748877       15.6920984138
  H         6.7333885725       17.6819188764       12.9523749908
  H         6.8797363272       21.6357409084       16.2772156545
  H         9.3758785916       23.5236891365       13.3225086110
  H         6.6802311946       20.3755617257       12.1728279480
  H         4.4427675802       17.1435116875       13.8829623073
  H         1.8712047245       18.4544927778       10.6964314258
  H         4.3371322992       21.3028152614       12.7850280216
  F        15.6200474927        1.2730681478       -0.2934485648
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  F        16.9899985016        1.8949505060        1.3198633830
  F        15.0482593607        2.8778862898        1.1029350274
  C        15.0715528959        0.6007893556        1.9266531743
  C        14.2699036705        0.9264401356        3.0282675092
  C        13.7673683593       -0.0646152768        3.9016744160
  C        14.2131892487       -1.3769915728        3.6746917934
  C        14.9979271436       -1.7111778535        2.5674678543
  C        15.4064479035       -0.7340279497        1.6596280655
  C        15.4651387754       -3.1238255730        2.3886312555
  F        16.0472903658       -3.3177184731        1.1743146420
  F        14.4463691455       -4.0458069871        2.4974238414
  F        16.4081445519       -3.4520670366        3.3576799606
  B        12.8084709697        0.2504895152        5.1910972353
  C        11.7286009481        1.4475638817        4.8857112313
  C        11.1217111468        1.5437617993        3.6156325755
  C        10.1491243949        2.5105127680        3.3316555339
  C         9.7263954822        3.4114691349        4.3139179540
  C        10.3034999050        3.3253089409        5.5775935347
  C        11.2794767430        2.3570414987        5.8608581919
  C         9.9328543374        4.3012303137        6.6581786649
  F        11.0485664820        4.8828646214        7.1921025483
  F         9.1274713357        5.3283292233        6.2334818349
  F         9.3002129458        3.6780443196        7.7032725826
  C         9.6293635451        2.7046914020        1.9364224354
  F         9.4983386736        1.5309686030        1.2473459221
  F         8.4076043252        3.3372765973        1.9071922032
  F        10.4692567330        3.4646550045        1.1650518384
  C        11.8318311541       -1.0143313733        5.5697212375
  C        11.3160819788       -1.9112166638        4.6151304075
  C        10.3208321219       -2.8416604746        4.9363216766
  C         9.8306476901       -2.9619883032        6.2391143347
  C        10.3463757205       -2.0960187754        7.2022531688
  C        11.3130696140       -1.1409091734        6.8702407823
  C         9.9446234722       -2.1950308310        8.6411375697
  F         9.5866943942       -0.9765019638        9.1672260129
  F         8.9045990433       -3.0524044324        8.8722021548
  F        11.0136548647       -2.6160489901        9.3954847886
  C         9.7585577028       -3.7077586029        3.8516793500
  F         8.8169485041       -4.5698126899        4.3244296058
  F        10.7217199959       -4.4568093510        3.2256566661
  F         9.1438973956       -2.9686724358        2.8592081419
  C        13.8660290877        0.6003603523        6.3848025139
  C        14.3555350522        1.8975482337        6.5986550316
  C        15.3182502610        2.1870667472        7.5756213901
  C        15.8310074110        1.1761753852        8.3899878921
  C        15.4085329665       -0.1317984027        8.1380772749
  C        14.4573888243       -0.4189847222        7.1586346436
  C        16.0250273760       -1.2325790121        8.9372770081
  F        16.0438780964       -0.8801873978       10.2717292858
  F        17.3294193057       -1.4922502598        8.5822091076
  F        15.3729492429       -2.4193071069        8.8072179259
  C        15.8731277751        3.5779350194        7.6565862274
  F        16.4732172476        3.8602408963        8.8562424764
  F        14.9155412455        4.5285832006        7.4143811104
  F        16.8233347654        3.7852452217        6.6763114616
  H        14.0396076736        1.9762563414        3.2080884636
  H        13.9358632377       -2.1576365199        4.3821922153
  H        15.9816866520       -1.0077552098        0.7804029787
  H        11.4262132322        0.8413374929        2.8395579644
  H         8.9782093471        4.1623355428        4.0860464527
  H        11.7013685876        2.3284749431        6.8656589987
  H        11.6914965428       -1.8936941074        3.5926887070
  H         9.0928857540       -3.7170580537        6.4927004107
  H        11.6685593483       -0.4763352120        7.6556993711
  H        13.9820742513        2.7154783475        5.9828528336
  H        16.5348013775        1.3984731292        9.1882191123
  H        14.1766974197       -1.4572324461        6.9966268843
  H        10.7398126927       11.8239232461        4.7914544470
  H        11.7164511711       10.1632968129        3.2594297027
     646
 i =       58, E =        -0.0004134955
 Rh         3.6191603281        0.2278677007        4.8199575542
  P         5.3837890223        0.6359100180        6.2749936037
  C         5.2599334900       -0.2667849900        7.8818229573
  C         4.8043617445       -1.7214458705        7.6781183059
  C         4.5292674476       -2.4025939937        9.0265466094
  C         5.7089200440       -2.2505177448        9.9990347556
  C         6.1970346204       -0.8015724669       10.1501222142
  C         6.5003146561       -0.1592046490        8.7858542645
  C         5.6707635181        2.3977973973        6.7798312847
  C         4.6717679082        2.8008694834        7.8915164397
  C         4.5914375635        4.3150935090        8.1558085057
  C         4.5245540059        5.1292772504        6.8611944563
  C         5.7302015427        4.7827436081        5.9848234228
  C         5.6001303044        3.3206318920        5.5476781937
  C         6.9921647230        0.0938130647        5.4942332673
  C         6.9453869383        0.2350866248        3.9671457103
  P         5.2952005832       -0.2385725803        3.2655704233
  C         5.4353649427       -2.0263652083        2.7491638415
  C         4.3052477989       -2.4248075572        1.7810395750
  C         4.3780901012       -3.9117644336        1.4191552184
  C         4.2177168553       -4.7597864869        2.6825010413
  C         5.3312535907       -4.4292817310        3.6823032384
  C         5.3853521044       -2.9243786863        4.0061514469
  C         5.1979550945        0.7252280417        1.6894686781
  C         4.9271289196        2.2275341847        1.9130236184
  C         4.4309813946        2.8307444281        0.5897329390
  C         5.4639813088        2.6231928332       -0.5304435111
  C         5.9203081285        1.1586226626       -0.6602275451
  C         6.3662629388        0.5724288775        0.6937122938
  C         1.8711103141        0.3069717849        3.4600008979
  C         1.8960820635       -0.9501984126        4.0664784102
  C         1.0494687359       -0.8481447739        5.3440783863
  C         1.8984518621        0.0818977164        6.2397505483
  C         1.8605397699        1.3413774252        5.6376944308
  C         0.9959771689        1.1967660966        4.3668622968
  C        -0.0386700653        0.1618071913        4.8897352106
  H         4.4380616341        0.2586184736        8.3946685187
  H         5.5658751191       -2.2875975909        7.1221521131
  H         3.8993649628       -1.7234120923        7.0511325762
  H         4.3242312446       -3.4705076810        8.8620610416
  H         3.6127805976       -1.9789928025        9.4614240947
  H         5.4375863587       -2.6624871939       10.9813668087
  H         6.5472365864       -2.8566060794        9.6311115244
  H         7.1031201926       -0.7788623816       10.7746376672
  H         5.4382367411       -0.1942982288       10.6687589852
  H         6.8031858544        0.8877504573        8.9236120768
  H         7.3573508260       -0.6664606919        8.3248074174
  H         6.6951435582        2.4462817107        7.1827883972
  H         4.9516207032        2.2963755570        8.8265609487
  H         3.6702593218        2.4281733159        7.6338943647
  H         5.4745158975        4.6374825205        8.7256421933
  H         3.7200132221        4.5146425996        8.7960270995
  H         4.4724148859        6.2017715145        7.0880398910
  H         3.6058202895        4.8871690006        6.3054243437
  H         6.6549331485        4.9116050175        6.5656535573
  H         5.8165648652        5.4430574485        5.1136872163
  H         6.3738252814        3.0473208727        4.8161846032
  H         4.6310322199        3.1796111982        5.0407138663
  H         7.8269125173        0.6720439745        5.9154876060
  H         7.1498176101       -0.9546412276        5.7840420952
  H         7.7479283714       -0.3290451361        3.4712911731
  H         7.0723278028        1.2891423844        3.6818617979
  H         6.4065979515       -2.1455636221        2.2405975760
  H         4.2906204332       -1.8007804330        0.8794240182
  H         3.3421511012       -2.2595825109        2.2803535419
  H         5.3381810430       -4.1378896116        0.9327763369
  H         3.5919800346       -4.1452314794        0.6908242527
  H         4.2120694492       -5.8304969248        2.4370748713
  H         3.2336753730       -4.5508860949        3.1285891052
  H         5.1888693106       -4.9827295560        4.6227817425
  H         6.2961979209       -4.7546366434        3.2678692247
  H         6.2442489967       -2.7193498039        4.6601295978
  H         4.4856989087       -2.6415729295        4.5773865784
  H         4.3022660015        0.3071750593        1.2024129613
  H         5.8578839405        2.7307750004        2.2171166556
  H         4.2026134773        2.3842382425        2.7255293217
  H         4.2131405191        3.9014870030        0.7081310591
  H         3.4777392056        2.3485742758        0.3247609633
  H         6.3417578378        3.2506844564       -0.3171303810
  H         5.0570232051        2.9782446723       -1.4880586022
  H         6.7373448412        1.0854794063       -1.3933357229
  H         5.0922327281        0.5434913467       -1.0473622016
  H         7.2372030918        1.1280430052        1.0616728747
  H         6.6882694105       -0.4696277827        0.5745916067
  H         2.1579017767        0.5517311629        2.4407045755
  H         2.1896359136       -1.8953540623        3.6207316635
  H         0.7382088971       -1.7976398576        5.7857334185
  H         2.1272220926       -0.1262744750        7.2806701224
  H         2.0530732660        2.2934418714        6.1253780110
  H         0.6285274842        2.1229942710        3.9178887712
  H        -0.6125761466        0.5505554500        5.7385697479
  H        -0.7143645260       -0.2265019307        4.1225190874
 Rh        14.7210863341       19.6437936052       14.9479398826
  P        12.9248090683       19.1982712754       13.5129664016
  C        13.0815598348       20.1928528445       11.9640985063
  C        13.4933464768       21.6520316133       12.2209732764
  C        13.8347009243       22.3355787615       10.8888401918
  C        12.6852296231       22.2363660745        9.8758686416
  C        12.2695590310       20.7754286776        9.6541657051
  C        11.9101362878       20.0768204427       10.9773091732
  C        12.6240930937       17.4675522260       12.8911097018
  C        13.6414622589       17.0398183523       11.8101242439
  C        13.5690703882       15.5293861517       11.5310108067
  C        13.7900761336       14.7366601966       12.8223870296
  C        12.6761752605       15.0549938026       13.8234243337
  C        12.6467173742       16.5566172220       14.1358697558
  C        11.3085164224       19.6457551958       14.3632642493
  C        11.4316618898       19.6957636373       15.8986004830
  P        13.1117192024       20.1837746161       16.5313197188
  C        12.9686716729       21.9847620081       16.9764753220
  C        13.9857983023       22.4755005844       18.0322396165
  C        14.0196738004       24.0156712095       18.1515175725
  C        14.0720682400       24.7462211196       16.8037485214
  C        12.9254246352       24.2762731247       15.9081409432
  C        13.1056986416       22.7774031490       15.6627888887
  C        13.3046374462       19.2300480946       18.1126854835
  C        13.5529941524       17.7403235880       17.8064361928
  C        14.0377699193       17.0198767102       19.0702987697
  C        13.0247989443       17.1571169053       20.2175622765
  C        12.6044335155       18.6192454965       20.4602889335
  C        12.1967422128       19.3752642462       19.1742409319
  C        16.4177460812       19.6531095125       16.3458341186
  C        16.4535798676       20.8430072767       15.6046520770
  C        17.3430052541       20.5668725210       14.3772937888
  C        16.4836374513       19.5753347002       13.5580588908
  C        16.4489607100       18.3899427549       14.2993921502
  C        17.2870502147       18.6418344366       15.5714879185
  C        18.3784757766       19.5839813748       14.9896741623
  H        13.9539794830       19.7077077303       11.4932755639
  H        12.6929861294       22.1998139463       12.7400993918
  H        14.3663895024       21.6625936639       12.8940140673
  H        14.1195617371       23.3828211002       11.0570064502
  H        14.7214677598       21.8352675415       10.4715153644
  H        12.9913054698       22.6928418971        8.9229742558
  H        11.8188157746       22.8124443328       10.2299770738
  H        11.4179691857       20.7123537348        8.9607390991
  H        13.1048212577       20.2323023908        9.1837269715
  H        11.6662316849       19.0242989698       10.7852117545
  H        11.0058347283       20.5291159964       11.4025692749
  H        11.6181753911       17.4514270752       12.4389037434
  H        13.4652381362       17.5964178482       10.8787724219
  H        14.6628638389       17.2928637806       12.1307174180
  H        12.5827942578       15.2745334619       11.1154967571
  H        14.3092508779       15.2588693762       10.7647473611
  H        13.8445355575       13.6590359967       12.6163932565
  H        14.7631229597       15.0111631519       13.2586397853
  H        11.7103715537       14.7220380505       13.4190355340
  H        12.8275796553       14.5177972261       14.7695212585
  H        11.7868073419       16.7975396252       14.7789502485
  H        13.5483236862       16.8091254294       14.7167959758
  H        10.5459189913       18.9034877232       14.0835826644
  H        10.9660825811       20.6080292532       13.9576957657
  H        10.6661012313       20.3451007122       16.3465855035
  H        11.2763210132       18.6899306912       16.3121522684
  H        11.9492295615       22.1339835735       17.3679307515
  H        13.7400234337       22.0569693466       19.0195252929
  H        14.9921137361       22.1072982672       17.7896367494
  H        13.1225949372       24.3531381853       18.6886761602
  H        14.8793220427       24.3042821730       18.7712505080
  H        14.0368256267       25.8307397183       16.9695916556
  H        15.0271739500       24.5554382857       16.2922164580
  H        12.8947511769       24.8164179503       14.9528374575
  H        11.9604162828       24.4559870911       16.4035265045
  H        12.4070166474       22.3979116638       14.9066523254
  H        14.1153627278       22.6023756263       15.2559987859
  H        14.2277184056       19.6450487001       18.5521319096
  H        12.6177214610       17.2782706400       17.4548171609
  H        14.2809938801       17.6377391641       16.9866326829
  H        14.2261886000       15.9595267727       18.8483553988
  H        15.0052596426       17.4500391825       19.3700867729
  H        12.1391165379       16.5442377360       19.9961490681
  H        13.4563289757       16.7447495997       21.1416275073
  H        11.7737651249       18.6463966326       21.1816600079
  H        13.4428260428       19.1590702487       20.9279356717
  H        11.2470862107       18.9788176881       18.7909001531
  H        12.0185288182       20.4307333846       19.4159142879
  H        16.0994211521       19.5310007225       17.3745187323
  H        16.1764995305       21.8367960905       15.9403859548
  H        17.7119776124       21.4463132902       13.8430168272
  H        16.2696008729       19.6820257449       12.4997190215
  H        16.1835900595       17.4012765645       13.9394025145
  H        17.5988088481       17.7559667669       16.1306017492
  H        18.9922244611       19.0929362578       14.2251441541
  H        19.0202378932       20.0432227270       15.7505944773
 Rh         5.9999981028       10.0781255985       14.9915999658
  P         4.1754054637        9.5707853381       13.6454938040
  C         3.7031808444        7.8397654811       13.1114184404
  C         3.6181203596        6.8773868765       14.3191573225
  C         3.6316596322        5.3990251737       13.8905185582
  C         4.8534113107        5.0909416654       13.0221184407
  C         4.7596242494        5.8945995269       11.7268594897
  C         4.7025577464        7.3993783065       12.0222340990
  C         2.6008980866       10.2165806949       14.3942787734
  C         2.6701784725       10.1310455474       15.9200644200
  P         4.3651932111       10.6250136938       16.5101909895
  C         4.1380324951       12.3838516227       17.0348042318
  C         3.9642035692       13.2839114690       15.7909165638
  C         4.0586288915       14.7757823480       16.1353701332
  C         5.3754006182       15.0555220716       16.8646258823
  C         5.4126839534       14.2860395586       18.1857029528
  C         5.3027165696       12.7768597169       17.9652001385
  C         4.6269613965        9.6903276483       18.0708737051
  C         4.9841312789        8.2152588748       17.8133063133
  C         5.2571710232        7.5080130486       19.1474790837
  C         4.0294281186        7.6016984301       20.0656934630
  C         3.4151207434        9.8107994535       19.0024161019
  C         3.6634021467        9.0713309530       20.3218234004
  C         4.3975145100       10.5289909786       12.0798197066
  C         4.7141814884       12.0158910749       12.3420969153
  C         4.9622570029       12.7746443836       11.0255781711
  C         3.8431358436       12.5644088737        9.9925326578
  C         3.5032291582       11.0810412377        9.7965727519
  C         3.2155729602       10.3648252015       11.1211739589
  C         7.8804611647       11.1932420849       15.5516611101
  C         7.6042982229        8.6979407435       14.3548574422
  C         8.5221758564        8.9320154951       15.5726796743
  C         9.6544533408        9.7606009156       14.9031233751
  C         8.6697867538       10.7942566622       14.2869417367
  C         7.7887343288       10.0564118163       16.3374546153
  C         7.6913714791        9.8405169416       13.5668260555
  H         2.6934766679        7.9293506988       12.6755320130
  H         4.4678510801        7.0551565412       14.9946146154
  H         2.7078875091        7.0875360765       14.9020257028
  H         2.7233937330        5.1550709625       13.3229555645
  H         3.6115122631        4.7736681963       14.7901767015
  H         5.7741305354        5.3574433513       13.5635950993
  H         4.9288558751        4.0164234007       12.8058515591
  H         5.6250177764        5.7100144734       11.0756378848
  H         3.8728687566        5.5731714516       11.1619466963
  H         4.4721301570        7.9384958237       11.0977563036
  H         5.7093812700        7.7207356233       12.3226863334
  H         2.4925267097       11.2602594003       14.0706745911
  H         1.7404989143        9.6625294953       13.9939044715
  H         1.9134373531       10.7706040121       16.3960187602
  H         2.4886210041        9.1021224684       16.2594512327
  H         3.1994894618       12.4287359118       17.6089768797
  H         4.7335546682       13.0416058860       15.0425851891
  H         2.9924435984       13.0665507564       15.3239545450
  H         3.9738389334       15.3658042033       15.2113400319
  H         3.2106206854       15.0699260153       16.7704874196
  H         5.5183854686       16.1284490312       17.0461987390
  H         6.2168468525       14.7383649841       16.2295956947
  H         6.3357780540       14.4986480528       18.7388498516
  H         4.5797774716       14.6192128409       18.8202166663
  H         6.2540627919       12.4003858065       17.5614384778
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 Rh        12.6647887969        9.7389798850        4.7099671214
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  H        15.3811514467        6.6542731160        9.5928502897
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  H        14.2582460282        9.3544771943       10.5218495717
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  H        11.1956501720        9.1483584499        7.1881610344
  H         9.1559887039       10.5689078504        6.5314907373
  H         8.0769841845        9.4932194571        4.2874122962
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  H        11.5506155606        7.2751168436        5.2833148275
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  F         7.3502185774       10.8253568823       -0.2489304182
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  C         7.0852520339        8.8602658857        1.7276155243
  C         6.4643508234        7.8533548860        2.4609578175
  C         5.5049485779        8.1640434777        3.4388794241
  C         5.1327569357        9.4884411915        3.7368528390
  C         5.7058690422       10.4836436179        2.9137327115
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  C         2.5502422727        7.8725934032        4.6477624774
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  C         1.3093643156        6.7384439393        6.4104138074
  C         1.9207601842        7.6021672196        7.3281831240
  C         2.8879564824        8.5260554340        6.9134418225
  C         1.5965698141        7.5242172277        8.7949971476
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  F         2.6902753064        7.1598572271        9.5369565937
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  F         0.1920116014        5.0722845473        4.3301104200
  F         0.6509663369        6.7253597919        2.9279592424
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  C         6.8717501815        9.3806308104        7.9320986632
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  C         5.8167737771       11.5230689858        6.5219146041
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  F         6.3546264225       14.0834309579        7.4849864165
  F         8.3373104770       13.4782305308        6.8182933904
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  F         7.4270707739        7.0974653513        7.7778493958
  F         6.2870930537        7.7335387189        9.5344414295
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  C         2.6030497120       11.2669291649        3.5449285824
  C         1.6666392977       12.2628499915        3.2906069484
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  C         1.8464491788       13.0219262492        5.5429941644
  C         2.7553380406       11.9897233245        5.8131461860
  C         1.1086059877       12.3792315697        1.9162742590
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  F         1.8938713655       13.1552915508        1.0977219571
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  F         7.5001113639        5.8835490516        3.2985446211
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  F         2.6774741368       14.5673274684        7.1186569614
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  H         3.1253424016       11.8756539569        6.8314283437
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  F        11.2160131475        9.0165481970       20.2287228416
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  C        11.3999712440       11.0410747571       18.1917031865
  C        11.8641389523       12.0096248055       17.3059957321
  C        12.7387503172       11.6824423497       16.2615752358
  C        13.2373769688       10.3755094369       16.0871820532
  C        12.7874088476        9.4208504850       17.0191501641
  B        14.1552184909        9.9767076045       14.7824215769
  C        15.1631213310       11.1773146919       14.3204569961
  C        15.8014818811       12.0144521490       15.2520440599
  C        16.7131879938       12.9987851585       14.8514852045
  C        17.0783287372       13.1380314612       13.5076776677
  C        16.4865481089       12.2818553222       12.5684500865
  C        15.5369684422       11.3388089407       12.9741277583
  C        16.8244377429       12.3957483145       11.1021585200
  F        17.8271480266       13.2799486281       10.8558011781
  F        15.7451466555       12.8141933702       10.3447655575
  F        17.2340442178       11.1930271106       10.5636695213
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  F        16.2471156463       14.6703553033       16.4967345862
  F        18.1474096661       14.8365244421       15.4062436799
  F        17.8403922929       13.2538078685       16.9388785980
  C        13.0661007451        9.6299704823       13.5895548818
  C        12.4502760590       10.6655699970       12.8548553574
  C        11.4551502775       10.4144905450       11.8974260776
  C        11.0002641365        9.1155391290       11.6738521026
  C        11.6027013425        8.0740373653       12.3790600616
  C        12.6263198222        8.3225514822       13.3004411805
  C        11.0271047254        6.6977125247       12.2295484944
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  F        11.9228656213        5.6909415207       12.4650357471
  F        10.0064185851        6.4976363444       13.1309347647
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  F        10.6231955082       12.6633089997       11.7451922460
  F        11.7672636019       11.8858560352       10.0488265582
  C        15.2010583200        8.7523566970       15.0703921193
  C        15.8780608909        8.5879117286       16.3000203068
  C        16.8157036183        7.5660574872       16.4718808752
  C        17.1076384878        6.6675678871       15.4418717445
  C        16.4822890710        6.8374094819       14.2138037795
  C        15.5680672993        7.8790665556       14.0295930554
  C        17.4874873494        7.2682467827       17.7746330282
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  F        16.7945609120        6.3145165397       18.4810880084
  F        18.7607760250        6.7889846139       17.5430270506
  C        11.3847886787       13.4267851597       17.4292685629
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  F        10.4786974610       13.7362201513       16.4303412979
  F        12.4005222471       14.3378652340       17.3060316877
  F        17.6296835889        4.8728987681       13.4885587931
  F        17.3762665059        6.5273985928       12.0298201327
  F        15.6564856352        5.2703191829       12.6122011413
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  H        10.6778393178       11.2894138474       18.9645884211
  H        13.0303518692       12.4678539729       15.5682557599
  H        13.1446557443        8.3938064921       16.9456794102
  H        15.5825457114       11.9013560492       16.3132991448
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  H        15.0667907333       10.7094742651       12.2191691826
  H        12.7537513042       11.6964169507       13.0346664437
  H        10.1761056218        8.9234463069       10.9923621474
  H        13.0792243645        7.4700928792       13.8016906879
  H        15.6800048841        9.2687587956       17.1282101804
  H        17.8067127303        5.8557450210       15.6034639677
  H        15.1221310225        8.0153196335       13.0457371176
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  F         3.3589875596       17.0927162402       18.6382290066
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  C         4.1718786236       19.0390998690       16.8641744773
  C         4.6787924280       20.0109764316       15.9792959280
  C         4.2528818149       21.3325899913       16.2120251812
  C         3.4426475411       21.6686778045       17.3055925426
  C         2.9984805742       20.7015495245       18.2003928335
  C         2.9247057225       23.0683114441       17.4346106269
  F         2.2997144172       23.2936046431       18.6241682911
  F         3.9028894414       24.0269137075       17.3048147843
  F         1.9927231671       23.2940592588       16.4314622856
  B         5.6112381378       19.6408399187       14.6755443498
  C         6.6788651571       18.4419560221       14.9722272278
  C         7.3000418932       18.3111805332       16.2245976784
  C         8.2512346613       17.3194593771       16.4705490967
  C         8.6298122456       16.4120490425       15.4782878452
  C         8.0606171925       16.5572168347       14.2146000013
  C         7.1254794522       17.5695491408       13.9612127263
  C         8.4249566945       15.6014475178       13.1147023528
  F         7.3136256859       15.0322127872       12.5404927658
  F         9.2150574176       14.5706274721       13.5624590110
  F         9.1086074812       16.2280656102       12.0994801979
  C         8.7858341855       17.1566278174       17.8534076196
  F         8.9104585858       18.3678239504       18.4854671759
  F        10.0152722403       16.5639857225       17.8935095642
  F         7.9546062610       16.3795414997       18.6293260266
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  C         7.1970796054       21.7099006094       15.2371727578
  C         8.1697104935       22.6572957613       14.8977187377
  C         8.6195047583       22.7902142901       13.5808920209
  C         8.0512638310       21.9631499151       12.6115413009
  C         7.0841602394       21.0135104020       12.9563648870
  C         8.4072710148       22.1082577298       11.1616317616
  F         8.8237341186       20.9022690867       10.6307845536
  F         9.3805361690       23.0308869126       10.9277956101
  F         7.3266018154       22.5137862551       10.4115058559
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  F         9.6013947866       24.4680782093       15.4768347717
  F         7.6881935423       24.3567466999       16.5042678332
  F         9.2720423231       22.8893651712       17.0063207876
  C         4.5588263713       19.2674516237       13.4744641130
  C         4.0667552795       17.9637826605       13.2689432760
  C         3.1049296012       17.6824303034       12.2907695776
  C         2.5934996800       18.6927029538       11.4715137161
  C         3.0417926584       20.0043429243       11.6846345652
  C         4.0015476570       20.2757487816       12.6598983507
  C         2.4083537504       21.1062038748       10.8804571591
  F         2.3725685153       20.7818261469        9.5371457116
  F         1.0979304462       21.3291051339       11.2584502063
  F         3.0383063792       22.3135250827       10.9976553120
  C         2.5134371046       16.3046809234       12.1859001288
  F         1.9326287660       16.0508066529       10.9839940325
  F         3.4291740278       15.3102531557       12.3969742241
  F         1.5241593760       16.1217089190       13.1295644150
  H         4.4055840643       17.9884751566       16.7010727410
  H         4.5535845209       22.1186052679       15.5219117772
  H         2.3718458054       20.9790269211       19.0448284964
  H         7.0444052431       19.0012432827       17.0293094356
  H         9.3384964314       15.6189681123       15.6918822743
  H         6.7323203423       17.6801414498       12.9526015243
  H         6.8800339158       21.6361232274       16.2768424175
  H         9.3751618624       23.5247099758       13.3216099658
  H         6.6801321991       20.3758621108       12.1724214576
  H         4.4425266307       17.1438555137       13.8831969574
  H         1.8707526374       18.4561508880       10.6980218555
  H         4.3366042161       21.3042131502       12.7858451556
  F        15.6188446325        1.2736251259       -0.2929276757
  C        15.6613117169        1.6604771922        1.0283137054
  F        16.9904171482        1.8948735261        1.3191237706
  F        15.0487299272        2.8787707292        1.1025368589
  C        15.0716127159        0.6011910449        1.9261106543
  C        14.2688798231        0.9267495430        3.0282621124
  C        13.7671790784       -0.0651923783        3.9010401683
  C        14.2125895985       -1.3770275115        3.6744956842
  C        14.9985687165       -1.7108960952        2.5666219072
  C        15.4066891836       -0.7326150653        1.6602608434
  C        15.4652088928       -3.1234091002        2.3882961107
  F        16.0472537054       -3.3177722567        1.1742811159
  F        14.4463089437       -4.0458720788        2.4974446813
  F        16.4083108499       -3.4522006536        3.3577719682
  B        12.8083133794        0.2508643356        5.1907673624
  C        11.7284985878        1.4483189240        4.8848402518
  C        11.1218625092        1.5440828763        3.6148816395
  C        10.1486792525        2.5126235040        3.3309865820
  C         9.7269762053        3.4115617869        4.3140852570
  C        10.3034477431        3.3261959773        5.5776561533
  C        11.2801924105        2.3567599408        5.8603484825
  C         9.9331798563        4.3011571760        6.6582275138
  F        11.0488787470        4.8831681885        7.1923078031
  F         9.1272989556        5.3283981883        6.2334859391
  F         9.2999044563        3.6781607248        7.7033045823
  C         9.6292088041        2.7044093709        1.9352150608
  F         9.4970180124        1.5287754449        1.2479326936
  F         8.4083601235        3.3379080558        1.9067953149
  F        10.4692490296        3.4687451587        1.1696441034
  C        11.8312282819       -1.0135152255        5.5699932039
  C        11.3151898676       -1.9102453661        4.6150639372
  C        10.3204073331       -2.8410244531        4.9362683127
  C         9.8303098427       -2.9612936642        6.2395183267
  C        10.3465111273       -2.0952583585        7.2022388540
  C        11.3131742149       -1.1402259825        6.8702842902
  C         9.9444819969       -2.1949238605        8.6413514709
  F         9.5866258542       -0.9765124930        9.1671265798
  F         8.9048168335       -3.0521188957        8.8720897824
  F        11.0135840252       -2.6159851600        9.3955279665
  C         9.7584029274       -3.7076574110        3.8515610273
  F         8.8172459222       -4.5697374790        4.3248559889
  F        10.7213636873       -4.4566589655        3.2254484367
  F         9.1436683182       -2.9685982845        2.8594765924
  C        13.8659916581        0.5978935693        6.3851382747
  C        14.3551475392        1.9006298526        6.5974122959
  C        15.3193162814        2.1852392417        7.5767338220
  C        15.8310430092        1.1790136663        8.3878095424
  C        15.4084280075       -0.1337110759        8.1377184592
  C        14.4564827275       -0.4162562431        7.1576622764
  C        16.0249975535       -1.2321953216        8.9370089942
  F        16.0437444557       -0.8801760532       10.2715527971
  F        17.3293303304       -1.4923000219        8.5822735862
  F        15.3729031467       -2.4191651244        8.8072222576
  C        15.8730165071        3.5779968560        7.6562019115
  F        16.4732253590        3.8602113663        8.8562176207
  F        14.9154536487        4.5288214290        7.4143766314
  F        16.8235448780        3.7853280126        6.6762069715
  H        14.0379701300        1.9755979945        3.2082401490
  H        13.9355847539       -2.1586528733        4.3810441935
  H        15.9836841713       -1.0067612851        0.7810214360
  H        11.4253312703        0.8430679373        2.8383621090
  H         8.9780910305        4.1640840211        4.0866569362
  H        11.7017192729        2.3281553332        6.8648430800
  H        11.6900099707       -1.8919013090        3.5923626882
  H         9.0924513620       -3.7157826091        6.4933324958
  H        11.6690033522       -0.4757025719        7.6557322815
  H        13.9820469731        2.7153237538        5.9834899299
  H        16.5363457250        1.3984302706        9.1868314296
  H        14.1753502848       -1.4573828806        6.9968746094
  H        10.7413937288       11.8226619042        4.7918307655
  H        11.7141806288       10.1601505166        3.2558614433
     646
 i =       59, E =         0.0175660335
 Rh         3.6199134462        0.2283856795        4.8195014809
  P         5.3839425068        0.6363371902        6.2752079040
  C         5.2577872429       -0.2674400450        7.8813636330
  C         4.8050927701       -1.7230547623        7.6781653086
  C         4.5302063950       -2.4033274274        9.0268916772
  C         5.7100462558       -2.2528716734        9.9991900591
  C         6.1967055410       -0.8034155424       10.1492926018
  C         6.4980988968       -0.1603814771        8.7851974631
  C         5.6712621743        2.3982965275        6.7806114299
  C         4.6712153880        2.8015788290        7.8911181825
  C         4.5919073568        4.3156206170        8.1561056442
  C         4.5248786315        5.1304660140        6.8619711539
  C         5.7290500754        4.7834063033        5.9838781997
  C         5.6011444191        3.3207654740        5.5481973219
  C         6.9925838889        0.0938112498        5.4953350687
  C         6.9468597397        0.2349825726        3.9681386411
  P         5.2957631645       -0.2383945884        3.2668285892
  C         5.4350116491       -2.0263566188        2.7508605965
  C         4.3063967639       -2.4237514119        1.7806668310
  C         4.3778350518       -3.9109578451        1.4204937517
  C         4.2186252649       -4.7596791410        2.6836733777
  C         5.3325184155       -4.4295561823        3.6831299221
  C         5.3858511540       -2.9248648445        4.0078509638
  C         5.1953405114        0.7244094031        1.6901916115
  C         4.9249692808        2.2267475202        1.9133239597
  C         4.4315993883        2.8310150413        0.5895514993
  C         5.4649086099        2.6237347942       -0.5301887904
  C         5.9198784054        1.1587494493       -0.6597824218
  C         6.3631234036        0.5709543828        0.6942925888
  C         1.8707693850        0.3074855868        3.4603233978
  C         1.8962345341       -0.9497827307        4.0674693653
  C         1.0498088479       -0.8469274607        5.3456723370
  C         1.9000459205        0.0828646102        6.2406822606
  C         1.8626132338        1.3418176134        5.6378921224
  C         0.9969061032        1.1977088293        4.3681965929
  C        -0.0377731277        0.1624450857        4.8896371462
  H         4.4348785352        0.2575333462        8.3933389324
  H         5.5691472223       -2.2873263739        7.1235451954
  H         3.9006714950       -1.7285764947        7.0500865592
  H         4.3216905962       -3.4708605777        8.8632506493
  H         3.6154897027       -1.9765997806        9.4626831617
  H         5.4376375150       -2.6637643724       10.9818639599
  H         6.5482963405       -2.8601428266        9.6328292761
  H         7.1028163665       -0.7781835495       10.7737663469
  H         5.4362626414       -0.1979542929       10.6678185641
  H         6.8017887396        0.8863280729        8.9229944504
  H         7.3540254263       -0.6680220517        8.3220163041
  H         6.6953563073        2.4474617527        7.1845090155
  H         4.9488979719        2.2961309431        8.8263683342
  H         3.6697491641        2.4300311828        7.6314767138
  H         5.4752632762        4.6372573947        8.7259295014
  H         3.7207290685        4.5152249883        8.7968465343
  H         4.4749031641        6.2029639361        7.0896795843
  H         3.6048901244        4.8905413961        6.3071982757
  H         6.6548042220        4.9144882040        6.5626241071
  H         5.8127111919        5.4425977339        5.1115611822
  H         6.3767052408        3.0482941197        4.8182035231
  H         4.6332182079        3.1775966083        5.0395388073
  H         7.8274929004        0.6711562322        5.9177594402
  H         7.1494532228       -0.9548661129        5.7847160986
  H         7.7493006622       -0.3302349165        3.4735932842
  H         7.0756034848        1.2888603302        3.6824013618
  H         6.4062177538       -2.1458576897        2.2426329776
  H         4.2978418902       -1.8014339695        0.8776949223
  H         3.3410237932       -2.2542663593        2.2750412947
  H         5.3374169110       -4.1372559232        0.9334666037
  H         3.5910731811       -4.1447686322        0.6927460402
  H         4.2138218661       -5.8300765568        2.4371161272
  H         3.2349217737       -4.5520011460        3.1309604734
  H         5.1901304814       -4.9836852013        4.6233643364
  H         6.2975558057       -4.7544738901        3.2687916693
  H         6.2453801108       -2.7197897911        4.6608180297
  H         4.4866864094       -2.6431764760        4.5804695855
  H         4.2986924526        0.3058395199        1.2052282244
  H         5.8555018564        2.7290026287        2.2195928770
  H         4.1988503399        2.3834887881        2.7243914113
  H         4.2136751503        3.9017131285        0.7090183285
  H         3.4785653044        2.3494363244        0.3223761093
  H         6.3432535818        3.2510280187       -0.3177188744
  H         5.0577472921        2.9786742042       -1.4877981862
  H         6.7383188807        1.0847488718       -1.3913062233
  H         5.0916122305        0.5451612604       -1.0491124555
  H         7.2344597743        1.1249875980        1.0636927234
  H         6.6834816453       -0.4714922905        0.5747512173
  H         2.1538925265        0.5507551732        2.4398316853
  H         2.1884471550       -1.8951195255        3.6216043084
  H         0.7382838892       -1.7961648446        5.7876369313
  H         2.1326096425       -0.1268655535        7.2801779131
  H         2.0611001391        2.2941665134        6.1228528847
  H         0.6295338228        2.1244398763        3.9199346681
  H        -0.6157185341        0.5504136741        5.7364530935
  H        -0.7102178687       -0.2270744409        4.1198952306
 Rh        14.7209003245       19.6429558264       14.9496200564
  P        12.9261669484       19.1983322488       13.5138537906
  C        13.0836442792       20.1923154919       11.9640558988
  C        13.4938868763       21.6519537135       12.2196486255
  C        13.8356391537       22.3362800011       10.8882440021
  C        12.6857758832       22.2368434348        9.8757551828
  C        12.2694909067       20.7761254060        9.6547397596
  C        11.9114073747       20.0772092827       10.9780461392
  C        12.6253787348       17.4670918709       12.8938494787
  C        13.6419419249       17.0396076900       11.8121758539
  C        13.5698357556       15.5294893186       11.5316945964
  C        13.7900097711       14.7357551958       12.8225350408
  C        12.6765908838       15.0543749620       13.8239591092
  C        12.6477402643       16.5556181629       14.1383334804
  C        11.3093618527       19.6463306798       14.3626264901
  C        11.4301228251       19.6943931184       15.8979239421
  P        13.1107016832       20.1829929922       16.5308763884
  C        12.9679271091       21.9843264887       16.9754678510
  C        13.9859274893       22.4743069840       18.0306751453
  C        14.0189306551       24.0141607829       18.1519958491
  C        14.0722816705       24.7455634691       16.8048025302
  C        12.9262534182       24.2768253349       15.9078016860
  C        13.1030495772       22.7776361370       15.6619020216
  C        13.3060829354       19.2298701988       18.1119221174
  C        13.5543276828       17.7399797758       17.8064809293
  C        14.0379428858       17.0197664389       19.0710199836
  C        13.0238591639       17.1577650527       20.2172646344
  C        12.6052277792       18.6202493944       20.4599354996
  C        12.1984777504       19.3753986500       19.1733872970
  C        16.4190518792       19.6527934474       16.3460767434
  C        16.4538131026       20.8416481603       15.6055723775
  C        17.3422074627       20.5663291918       14.3769360990
  C        16.4821161578       19.5748428772       13.5587911131
  C        16.4476794766       18.3901596997       14.2989281290
  C        17.2866300144       18.6407582720       15.5707756843
  C        18.3777346714       19.5835555261       14.9895843356
  H        13.9557622372       19.7063574948       11.4931129600
  H        12.6908498469       22.1986529355       12.7361742183
  H        14.3653485610       21.6654533266       12.8949535581
  H        14.1190403335       23.3838170353       11.0573535154
  H        14.7234322825       21.8378477702       10.4702610765
  H        12.9909261148       22.6933099085        8.9222520176
  H        11.8200431143       22.8134925199       10.2306403503
  H        11.4167913177       20.7132859167        8.9626251567
  H        13.1039284504       20.2327974068        9.1830743870
  H        11.6658644309       19.0249628530       10.7858433701
  H        11.0081714037       20.5304662941       11.4049176967
  H        11.6191024741       17.4511614186       12.4422469696
  H        13.4647675336       17.5969705953       10.8814026604
  H        14.6635779872       17.2926358438       12.1320527831
  H        12.5840900964       15.2747794404       11.1149383938
  H        14.3109179634       15.2598846427       10.7658652145
  H        13.8429087703       13.6580866373       12.6157599963
  H        14.7636661245       15.0084901753       13.2586322370
  H        11.7105360907       14.7230184175       13.4187995318
  H        12.8271568246       14.5153756070       14.7691782512
  H        11.7874910917       16.7957516941       14.7812498703
  H        13.5489324374       16.8075522866       14.7203470624
  H        10.5460142010       18.9059291557       14.0794355399
  H        10.9698450157       20.6100773239       13.9584231854
  H        10.6642653286       20.3441309137       16.3448368708
  H        11.2730872346       18.6886515987       16.3114449358
  H        11.9489192909       22.1333824076       17.3685473156
  H        13.7415626329       22.0540355147       19.0175642623
  H        14.9925288368       22.1075795623       17.7865845740
  H        13.1216112911       24.3509070772       18.6891776279
  H        14.8783598414       24.3023044002       18.7723571060
  H        14.0369311826       25.8299556834       16.9712811632
  H        15.0280476962       24.5550372625       16.2942508680
  H        12.8982311548       24.8170681632       14.9523358183
  H        11.9608665659       24.4588672360       16.4016394200
  H        12.4012345889       22.4003793071       14.9075552805
  H        14.1111843372       22.6005611852       15.2517860469
  H        14.2298184143       19.6454176788       18.5494805291
  H        12.6192336522       17.2779931507       17.4545427146
  H        14.2829937952       17.6367348562       16.9872376219
  H        14.2258408224       15.9593032355       18.8493150769
  H        15.0054373405       17.4494106501       19.3714801702
  H        12.1375545039       16.5463377216       19.9940699133
  H        13.4534034777       16.7440011715       21.1417864848
  H        11.7739751803       18.6488684610       21.1806472621
  H        13.4440010169       19.1592251443       20.9279842432
  H        11.2496012968       18.9775055310       18.7896183948
  H        12.0190051017       20.4309929000       19.4138555871
  H        16.1056280640       19.5320266683       17.3774187366
  H        16.1779154490       21.8363196353       15.9417802611
  H        17.7104701784       21.4457406304       13.8425516651
  H        16.2654609393       19.6833492465       12.5002832551
  H        16.1801497075       17.4013631015       13.9390647968
  H        17.5987632362       17.7544740730       16.1287543894
  H        18.9937506400       19.0934631464       14.2260708060
  H        19.0173419060       20.0430933157       15.7523052678
 Rh         5.9987706746       10.0777080430       14.9912515187
  P         4.1750755986        9.5716217567       13.6443926088
  C         3.7068199594        7.8398827240       13.1109538950
  C         3.6206917741        6.8781915712       14.3191550729
  C         3.6322304036        5.3996107615       13.8911869473
  C         4.8536557949        5.0905714778       13.0226714206
  C         4.7609016679        5.8946577492       11.7277465436
  C         4.7072440091        7.3995618114       12.0226259021
  C         2.6004187375       10.2169159820       14.3937070692
  C         2.6700305348       10.1309807614       15.9195696862
  P         4.3644379114       10.6249446506       16.5109745085
  C         4.1375826193       12.3840644334       17.0356682886
  C         3.9651290368       13.2839595938       15.7915390558
  C         4.0592859093       14.7761075615       16.1350885922
  C         5.3759011202       15.0567522995       16.8641819508
  C         5.4128148738       14.2868289936       18.1849128871
  C         5.3032785314       12.7775649722       17.9645600784
  C         4.6247357510        9.6895591889       18.0719263899
  C         4.9828520960        8.2146973383       17.8139359628
  C         5.2562197197        7.5072829461       19.1478266536
  C         4.0295774356        7.6012545590       20.0673208848
  C         3.4138517626        9.8106787663       19.0048268695
  C         3.6628962922        9.0706656832       20.3239266660
  C         4.3962178764       10.5290523937       12.0781431352
  C         4.7133999904       12.0157165710       12.3407416079
  C         4.9634580416       12.7738886555       11.0244468162
  C         3.8437178236       12.5652264982        9.9919308038
  C         3.5034305017       11.0820995363        9.7943937246
  C         3.2144917607       10.3663305681       11.1190294717
  C         7.8777194831       11.1947601981       15.5503899233
  C         7.6033898121        8.6960586822       14.3548601159
  C         8.5209808057        8.9321773269       15.5724991482
  C         9.6533606116        9.7608714697       14.9041329073
  C         8.6685040556       10.7938257898       14.2876502106
  C         7.7866618974       10.0544890885       16.3395580141
  C         7.6911910534        9.8413383675       13.5646222087
  H         2.6977966456        7.9273666125       12.6730240175
  H         4.4704000012        7.0549654899       14.9948593606
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 Rh        12.6644128805        9.7434908554        4.7091639142
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  F         7.3504839304       10.8247964801       -0.2440909337
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  C         5.1327124666        9.4875288337        3.7379730655
  C         5.7060337705       10.4827740804        2.9152057058
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  F         0.1920311837        5.0724376257        4.3299453990
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  H         3.1287794200       11.8769918744        6.8301087653
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  F        11.2151474706        9.0170346438       20.2281194373
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  C        11.8655568526       12.0099641434       17.3054445798
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  C        13.2383996243       10.3756138418       16.0867469616
  C        12.7872035409        9.4189803347       17.0178657750
  B        14.1551902680        9.9770719562       14.7814175381
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  C        15.7996825025       12.0162242961       15.2502257154
  C        16.7126595712       13.0002383639       14.8505507342
  C        17.0783235427       13.1388433518       13.5068018298
  C        16.4876223853       12.2830408053       12.5678061447
  C        15.5379200125       11.3386549144       12.9725904949
  C        16.8270259015       12.3963542244       11.1016478777
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  F        15.7462371706       12.8146974471       10.3446482331
  F        17.2339637843       11.1931049198       10.5635270411
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  F        18.1475296703       14.8365041339       15.4061313576
  F        17.8403012283       13.2539142012       16.9384983633
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  C        12.4499068419       10.6658261965       12.8546635018
  C        11.4548919029       10.4146807134       11.8979855415
  C        11.0014115331        9.1152613400       11.6720859568
  C        11.6032607786        8.0744324698       12.3801079730
  C        12.6244482155        8.3235123616       13.3030538458
  C        11.0268590583        6.6971306706       12.2296957093
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  F        11.9230634049        5.6906035548       12.4649904928
  F        10.0060640216        6.4974884159       13.1310006340
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  F        10.6255515921       12.6628161361       11.7451118990
  F        11.7659787240       11.8895695527       10.0464622791
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  C        15.8768893994        8.5865246356       16.2990734991
  C        16.8155954228        7.5645590847       16.4716895107
  C        17.1077943491        6.6665775432       15.4415426389
  C        16.4833153720        6.8360018092       14.2130624800
  C        15.5688424188        7.8774269305       14.0286147206
  C        17.4874876069        7.2678021529       17.7751554266
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  F        16.7930914832        6.3152952256       18.4811942209
  F        18.7614400056        6.7892143255       17.5427178267
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  F        10.4788852365       13.7361610209       16.4304638705
  F        12.4005008773       14.3379995882       17.3059614557
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  F        17.3775360586        6.5258609053       12.0303034734
  F        15.6556688975        5.2702251456       12.6113412860
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  H        10.6806356204       11.2896068219       18.9653409490
  H        13.0336590011       12.4674932371       15.5683798400
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  H        17.8070093959        5.8546031100       15.6030474961
  H        15.1229309721        8.0131463867       13.0438233813
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  F         3.3533398319       17.0939218605       18.6367995783
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  C         4.1738705611       19.0376471174       16.8616697008
  C         4.6798091107       20.0110022096       15.9790990415
  C         4.2529626146       21.3318436605       16.2135527529
  C         3.4422753712       21.6677543494       17.3061594831
  C         2.9972621325       20.6993268738       18.1993666532
  C         2.9252637767       23.0666540272       17.4349581822
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  F         3.9026211227       24.0262421697       17.3044866306
  F         1.9934224070       23.2936714968       16.4315434363
  B         5.6106732516       19.6409617711       14.6760045434
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  C         7.2985722766       18.3096643343       16.2244600337
  C         8.2506450859       17.3178638812       16.4701277365
  C         8.6297716075       16.4119279252       15.4783125630
  C         8.0600646931       16.5558924083       14.2143935051
  C         7.1238754482       17.5674653592       13.9611636780
  C         8.4249159420       15.6011863308       13.1148610542
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  F         9.2149536669       14.5706266823       13.5623968303
  F         9.1084530065       16.2281867589       12.0996299995
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  F        10.0142600309       16.5628405812       17.8937768113
  F         7.9534243903       16.3810979595       18.6289764983
  C         6.6220726133       20.8612974540       14.2733319892
  C         7.1973657871       21.7107122084       15.2361702041
  C         8.1693580198       22.6584619931       14.8968426831
  C         8.6186645576       22.7920054134       13.5797672673
  C         8.0507092048       21.9641566640       12.6108481827
  C         7.0839902326       21.0142403186       12.9555431019
  C         8.4072382608       22.1086035300       11.1610900162
  F         8.8237693850       20.9024548829       10.6307544792
  F         9.3806115947       23.0309564334       10.9276194160
  F         7.3266139647       22.5138737923       10.4111632594
  C         8.6840387288       23.5836027588       15.9588750881
  F         9.6013669205       24.4680752392       15.4766606339
  F         7.6882628235       24.3569464161       16.5041483092
  F         9.2720191708       22.8894273720       17.0059238864
  C         4.5579883173       19.2688900112       13.4742007642
  C         4.0662101263       17.9652771391       13.2690723590
  C         3.1030529783       17.6837132298       12.2900871005
  C         2.5925436020       18.6941721520       11.4731469094
  C         3.0400735076       20.0046903206       11.6850216207
  C         4.0009722876       20.2778260711       12.6610683257
  C         2.4081307674       21.1065686599       10.8807111009
  F         2.3723305458       20.7819079779        9.5376044544
  F         1.0978780424       21.3291993204       11.2602443962
  F         3.0376570661       22.3153177951       10.9972387980
  C         2.5134655221       16.3053118252       12.1859066797
  F         1.9326588955       16.0511091289       10.9838592081
  F         3.4290204043       15.3106297030       12.3967703045
  F         1.5239939191       16.1217689757       13.1294292717
  H         4.4084056619       17.9886085944       16.6997696254
  H         4.5548968361       22.1195978127       15.5225974012
  H         2.3707007182       20.9751828334       19.0432244706
  H         7.0412709690       18.9986704197       17.0290352182
  H         9.3390167104       15.6190308918       15.6913235045
  H         6.7295395265       17.6759052406       12.9523501510
  H         6.8806860077       21.6369981941       16.2760595184
  H         9.3732017818       23.5269240746       13.3195904532
  H         6.6798600221       20.3765544015       12.1714569401
  H         4.4413714273       17.1456026419       13.8829205913
  H         1.8675166377       18.4593358234       10.6995067456
  H         4.3347024251       21.3061065553       12.7874585550
  F        15.6172429379        1.2744197667       -0.2923731964
  C        15.6609823491        1.6625258849        1.0286994266
  F        16.9909463727        1.8948661230        1.3182059232
  F        15.0495507242        2.8808863784        1.1020603965
  C        15.0708779165        0.6034270782        1.9261209162
  C        14.2671496878        0.9265334778        3.0274004814
  C        13.7662945205       -0.0659001886        3.8999506159
  C        14.2119985144       -1.3778073784        3.6729988695
  C        14.9991778422       -1.7098966457        2.5658614412
  C        15.4082876726       -0.7304641954        1.6604164176
  C        15.4655107946       -3.1228110625        2.3875864990
  F        16.0472791964       -3.3178474425        1.1740797614
  F        14.4463364846       -4.0456694639        2.4974314348
  F        16.4085214109       -3.4522553259        3.3577975952
  B        12.8078841379        0.2513162423        5.1899532419
  C        11.7288100815        1.4495342844        4.8826996690
  C        11.1209623731        1.5465303771        3.6132218046
  C        10.1489885011        2.5151382910        3.3294648982
  C         9.7267679551        3.4136881811        4.3141552951
  C        10.3045102945        3.3269771563        5.5779815272
  C        11.2807517755        2.3573508990        5.8590090318
  C         9.9336031281        4.3014906019        6.6585094994
  F        11.0494709878        4.8836486887        7.1926533777
  F         9.1271990837        5.3284382465        6.2335875515
  F         9.2995940024        3.6783608443        7.7032710279
  C         9.6285482105        2.7042286037        1.9340008975
  F         9.4955229073        1.5259812293        1.2487365899
  F         8.4089788693        3.3386441472        1.9058894820
  F        10.4692385305        3.4744879302        1.1758737111
  C        11.8298805351       -1.0116027620        5.5700247667
  C        11.3131039163       -1.9078441715        4.6149809339
  C        10.3192936171       -2.8396293881        4.9363131919
  C         9.8298329819       -2.9594036111        6.2400457959
  C        10.3466131851       -2.0936652886        7.2024624448
  C        11.3133789978       -1.1385431519        6.8706647458
  C         9.9445094197       -2.1944857296        8.6414702551
  F         9.5864704327       -0.9763462472        9.1671533380
  F         8.9050446375       -3.0518204282        8.8719525450
  F        11.0135060571       -2.6158844805        9.3956332709
  C         9.7581557578       -3.7072110347        3.8515755502
  F         8.8176607244       -4.5696309178        4.3255074471
  F        10.7208971476       -4.4564207696        3.2251795763
  F         9.1432494334       -2.9684561581        2.8596949831
  C        13.8654982869        0.5997208450        6.3839703748
  C        14.3549251267        1.9009615661        6.5969649667
  C        15.3191351075        2.1861769797        7.5748992386
  C        15.8326381136        1.1783371365        8.3858953782
  C        15.4086093541       -0.1330749992        8.1365395046
  C        14.4554965502       -0.4159215304        7.1574576724
  C        16.0248587071       -1.2320716970        8.9364846080
  F        16.0435508856       -0.8799326032       10.2711604845
  F        17.3293191037       -1.4922887927        8.5823269853
  F        15.3728450927       -2.4189513444        8.8072012463
  C        15.8731304032        3.5778510629        7.6558549766
  F        16.4731992120        3.8603188949        8.8560196811
  F        14.9153957036        4.5289124676        7.4143323551
  F        16.8236816074        3.7854119824        6.6760491283
  H        14.0339426933        1.9746144690        3.2086720322
  H        13.9348571717       -2.1609693989        4.3783481825
  H        15.9880136415       -1.0041072049        0.7830787215
  H        11.4234850961        0.8466914678        2.8351267576
  H         8.9786094531        4.1673892673        4.0883325781
  H        11.7027365580        2.3273273849        6.8631644137
  H        11.6864743718       -1.8876260633        3.5916223348
  H         9.0913161706       -3.7129046692        6.4948704225
  H        11.6700378363       -0.4742352686        7.6557777211
  H        13.9811815477        2.7170436182        5.9835869004
  H        16.5395366485        1.3985707068        9.1828699519
  H        14.1725180298       -1.4558451990        6.9975807192
  H        10.7453953109       11.8198618232        4.7927872852
  H        11.7087349076       10.1527075050        3.2475141434
     646
 i =       60, E =        -0.0000760275
 Rh         3.6204608379        0.2286813590        4.8193073161
  P         5.3840212669        0.6364869730        6.2752654271
  C         5.2562637149       -0.2677648088        7.8812236265
  C         4.8055354428       -1.7241273706        7.6776345016
  C         4.5305424981       -2.4042736480        9.0272855789
  C         5.7108833395       -2.2544890288        9.9994104154
  C         6.1964719889       -0.8045692356       10.1491580263
  C         6.4971868665       -0.1612241296        8.7844339736
  C         5.6717135340        2.3986276955        6.7812877707
  C         4.6707602097        2.8018349110        7.8909375997
  C         4.5920813801        4.3159953172        8.1565034808
  C         4.5249062188        5.1312541652        6.8623676244
  C         5.7284866224        4.7839863533        5.9833562086
  C         5.6018125612        3.3206956585        5.5482537994
  C         6.9929681286        0.0938392085        5.4961832521
  C         6.9475996498        0.2352429890        3.9687028687
  P         5.2961128760       -0.2383372025        3.2675201564
  C         5.4349315014       -2.0263564493        2.7522500657
  C         4.3065206583       -2.4228538431        1.7807450880
  C         4.3772758401       -3.9108312768        1.4212357256
  C         4.2194279316       -4.7592999241        2.6843423981
  C         5.3331302196       -4.4298694248        3.6840621974
  C         5.3858818874       -2.9251253809        4.0086091041
  C         5.1936660545        0.7238949509        1.6907808367
  C         4.9237071170        2.2261020125        1.9135193456
  C         4.4315266161        2.8313829638        0.5894030154
  C         5.4659825677        2.6242321513       -0.5298882751
  C         5.9195434376        1.1587302867       -0.6596767696
  C         6.3610091212        0.5701444715        0.6947031990
  C         1.8708169757        0.3079934393        3.4600510803
  C         1.8962988086       -0.9500010128        4.0683728730
  C         1.0506113600       -0.8460148445        5.3466720220
  C         1.9006454712        0.0833222318        6.2402405076
  C         1.8642688516        1.3426356240        5.6386027443
  C         0.9973366211        1.1984376659        4.3687408114
  C        -0.0379034068        0.1630593583        4.8903038363
  H         4.4330308490        0.2566423749        8.3924224846
  H         5.5711792015       -2.2872246607        7.1245550141
  H         3.9017977817       -1.7319159381        7.0495294152
  H         4.3201797641       -3.4708488789        8.8640448159
  H         3.6173013203       -1.9751779461        9.4634225109
  H         5.4377702334       -2.6645795867       10.9820027114
  H         6.5489412777       -2.8623407263        9.6338502172
  H         7.1025732882       -0.7778393698       10.7731061056
  H         5.4351752985       -0.2003726799       10.6671819295
  H         6.8008822978        0.8853634619        8.9226248326
  H         7.3517542073       -0.6688759524        8.3204475234
  H         6.6953600530        2.4481137409        7.1855746360
  H         4.9471086938        2.2959848206        8.8261502626
  H         3.6694610690        2.4312716916        7.6299615255
  H         5.4758021384        4.6370648944        8.7261069830
  H         3.7213666558        4.5155718088        8.7972868767
  H         4.4765250469        6.2036662949        7.0907583227
  H         3.6043990147        4.8927004245        6.3084530049
  H         6.6546321278        4.9163795172        6.5605850011
  H         5.8101614145        5.4422505425        5.1102126519
  H         6.3784721477        3.0489529429        4.8196062757
  H         4.6346813014        3.1763392508        5.0388226033
  H         7.8277770195        0.6705288811        5.9191043110
  H         7.1492126835       -0.9550396423        5.7851893735
  H         7.7502869535       -0.3311589570        3.4749443609
  H         7.0776387199        1.2884315087        3.6828159718
  H         6.4062031970       -2.1460517778        2.2439253803
  H         4.3025510212       -1.8018780718        0.8765186440
  H         3.3409505041       -2.2509621782        2.2714168633
  H         5.3371231909       -4.1369543861        0.9338129136
  H         3.5906691766       -4.1443534912        0.6941129191
  H         4.2149606185       -5.8299356485        2.4371049222
  H         3.2356951823       -4.5527073709        3.1324939776
  H         5.1910845582       -4.9841964285        4.6235376339
  H         6.2986157416       -4.7543958047        3.2692324565
  H         6.2463217735       -2.7200034469        4.6614069327
  H         4.4874304987       -2.6442037198        4.5823620649
  H         4.2964330009        0.3049485291        1.2070399925
  H         5.8538953220        2.7279094969        2.2212297246
  H         4.1963300231        2.3830077513        2.7236740281
  H         4.2140645390        3.9017146945        0.7095197307
  H         3.4791732091        2.3500766491        0.3209632635
  H         6.3439135258        3.2510674939       -0.3180386315
  H         5.0581940195        2.9789936535       -1.4876641803
  H         6.7388477565        1.0843102261       -1.3899819959
  H         5.0912778763        0.5462575755       -1.0501622587
  H         7.2326942665        1.1229393133        1.0649507412
  H         6.6803891742       -0.4728438532        0.5747835545
  H         2.1513605813        0.5500778354        2.4395724632
  H         2.1876831144       -1.8948406849        3.6222009988
  H         0.7383207591       -1.7953571692        5.7889292413
  H         2.1362307103       -0.1272805679        7.2805387518
  H         2.0660399831        2.2942937304        6.1210961669
  H         0.6302812444        2.1251778677        3.9213199332
  H        -0.6172856574        0.5501061939        5.7346707719
  H        -0.7074882261       -0.2274051815        4.1183029860
 Rh        14.7210256639       19.6424789673       14.9507562291
  P        12.9269108302       19.1984696204       13.5144711588
  C        13.0851150057       20.1916012495       11.9636835408
  C        13.4942495417       21.6523158645       12.2197857316
  C        13.8365219298       22.3364553573       10.8873906865
  C        12.6861764735       22.2376107759        9.8753326537
  C        12.2693745486       20.7764180924        9.6550473224
  C        11.9118641751       20.0772753582       10.9787679538
  C        12.6258864903       17.4667898445       12.8955284492
  C        13.6422848541       17.0395763027       11.8133474879
  C        13.5703975529       15.5295483487       11.5321262136
  C        13.7900593189       14.7349805208       12.8226044905
  C        12.6767197374       15.0538655665       13.8243185684
  C        12.6486415667       16.5550626976       14.1400562554
  C        11.3096985234       19.6463866313       14.3618863401
  C        11.4292727832       19.6935367793       15.8978632109
  P        13.1099180868       20.1824689408       16.5305175755
  C        12.9668738255       21.9840220381       16.9750529201
  C        13.9862528801       22.4734450425       18.0295986674
  C        14.0184474459       24.0132386330       18.1523852934
  C        14.0725776928       24.7448371818       16.8054189419
  C        12.9265189605       24.2774200579       15.9075666318
  C        13.1017855449       22.7777364560       15.6612923602
  C        13.3069513572       19.2297607717       18.1114594831
  C        13.5554937070       17.7397535241       17.8064578329
  C        14.0379172005       17.0197685997       19.0714783310
  C        13.0233520745       17.1579182872       20.2173004581
  C        12.6056947481       18.6209651176       20.4598378081
  C        12.1995247385       19.3756131207       19.1728501432
  C        16.4197906756       19.6540420317       16.3450026998
  C        16.4543037431       20.8383611925       15.6062371456
  C        17.3414149175       20.5665035674       14.3767537037
  C        16.4810303449       19.5735441682       13.5601175564
  C        16.4470715411       18.3923454740       14.2984544601
  C        17.2864440835       18.6393759679       15.5706298956
  C        18.3774502530       19.5832500427       14.9893234495
  H        13.9566617889       19.7057020976       11.4931585531
  H        12.6896468981       22.1977810052       12.7336177678
  H        14.3643321448       21.6672525517       12.8953251467
  H        14.1185945783       23.3845195522       11.0576440881
  H        14.7242681885       21.8396687812       10.4696732344
  H        12.9905061414       22.6934297975        8.9221918354
  H        11.8207014665       22.8141284629       10.2310928002
  H        11.4159705784       20.7139353100        8.9638937907
  H        13.1032217001       20.2331696297        9.1826776971
  H        11.6656355445       19.0255579931       10.7863243067
  H        11.0097420200       20.5312688376       11.4063844954
  H        11.6198113322       17.4509565674       12.4444875857
  H        13.4644648062       17.5972701980       10.8832270816
  H        14.6639921535       17.2924932272       12.1329493393
  H        12.5848547986       15.2749511674       11.1145911377
  H        14.3118941519       15.2605789796       10.7666739682
  H        13.8418134238       13.6576241874       12.6153486938
  H        14.7639117735       15.0067395883       13.2586423671
  H        11.7106372665       14.7236460284       13.4186943013
  H        12.8268510497       14.5138373739       14.7689535384
  H        11.7878707019       16.7946183064       14.7827841079
  H        13.5492013256       16.8064562583       14.7225403034
  H        10.5461829227       18.9077477109       14.0769122584
  H        10.9721618408       20.6115567390       13.9588402050
  H        10.6630755944       20.3435181068       16.3437746310
  H        11.2711046560       18.6879147599       16.3108498480
  H        11.9488769649       22.1329414768       17.3688641548
  H        13.7425333544       22.0520587293       19.0163224115
  H        14.9925316565       22.1077613724       17.7846013073
  H        13.1208626278       24.3494034328       18.6895403723
  H        14.8775827926       24.3009719856       18.7730955764
  H        14.0369348700       25.8295565723       16.9724585287
  H        15.0283930716       24.5547797513       16.2956691087
  H        12.9004329095       24.8173911020       14.9521608599
  H        11.9611499388       24.4607272733       16.4004280488
  H        12.3972750871       22.4019344281       14.9081317226
  H        14.1081090180       22.5994137330       15.2491980211
  H        14.2310875020       19.6456412085       18.5478536754
  H        12.6200918793       17.2777393190       17.4543123048
  H        14.2841877519       17.6361145728       16.9877529737
  H        14.2256235359       15.9590939747       18.8499743886
  H        15.0055495517       17.4490081860       19.3724255703
  H        12.1365275456       16.5477311604       19.9927373858
  H        13.4514034986       16.7435820624       21.1417038791
  H        11.7741917735       18.6503975260       21.1800142167
  H        13.4447170247       19.1593028436       20.9279622449
  H        11.2511353799       18.9766802744       18.7888383442
  H        12.0193210675       20.4310439891       19.4125264280
  H        16.1093062677       19.5324354756       17.3797258500
  H        16.1785208910       21.8369898687       15.9430359795
  H        17.7094909386       21.4453158390       13.8423117026
  H        16.2626949353       19.6842777369       12.5004184664
  H        16.1777403395       17.4005849982       13.9386346891
  H        17.5986770921       17.7537534214       16.1274808841
  H        18.9945047485       19.0939065502       14.2267651551
  H        19.0154480593       20.0430390947       15.7532716803
 Rh         5.9972097983       10.0773818427       14.9910662024
  P         4.1749952204        9.5721264079       13.6437028263
  C         3.7089839315        7.8399124288       13.1106162526
  C         3.6221235727        6.8786569283       14.3192313928
  C         3.6326675811        5.3999816398       13.8916092145
  C         4.8538999849        5.0898949394       13.0232225968
  C         4.7616195885        5.8946300573       11.7280571036
  C         4.7103186336        7.3997915214       12.0228778866
  C         2.5999030269       10.2168906727       14.3932896821
  C         2.6698520787       10.1308655985       15.9193927621
  P         4.3640055393       10.6247799969       16.5113860677
  C         4.1374913538       12.3841837101       17.0362537759
  C         3.9652026260       13.2838792466       15.7919054327
  C         4.0598535523       14.7762553383       16.1347256627
  C         5.3761902947       15.0576945961       16.8638625356
  C         5.4128437812       14.2872914457       18.1846416168
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  C        13.1916150079       12.3255880847        7.4702430672
  C        15.9730705904        9.6724538539        5.4139218641
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  C         5.7062613989       10.4818673201        2.9162164547
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  F         7.4999731659        5.8836474242        3.2984470723
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  F        11.2160852411        9.0169350745       20.2279262732
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  C        11.8666904424       12.0120265843       17.3041876135
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  C        12.7878239141        9.4149341928       17.0172105924
  B        14.1555136041        9.9767164295       14.7808401917
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  C        15.7983344638       12.0170184986       15.2487164833
  C        16.7123111264       13.0012241287       14.8501747498
  C        17.0779999999       13.1389888217       13.5059314854
  C        16.4891873882       12.2846546962       12.5676803342
  C        15.5382930706       11.3381386517       12.9710302900
  C        16.8288970581       12.3969747083       11.1008666824
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  F        15.7480219992       12.8152039756       10.3451365244
  F        17.2342215306       11.1929312750       10.5634387911
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  F        18.1474348515       14.8367249315       15.4062189012
  F        17.8401953917       13.2538288899       16.9384648144
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  C        12.4492390724       10.6663197816       12.8543663326
  C        11.4556416265       10.4147770984       11.8976520000
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  C        11.6032902238        8.0728829705       12.3809441111
  C        12.6221876714        8.3244647593       13.3035461420
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  F        11.9227895825        5.6907332610       12.4650342727
  F        10.0062831442        6.4973452682       13.1310303072
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  F        10.6235652829       12.6627282727       11.7457173428
  F        11.7647895038       11.8842358291       10.0506155585
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  C        15.8764875619        8.5850368517       16.2982122666
  C        16.8151554155        7.5639581244       16.4707256210
  C        17.1082559789        6.6659524026       15.4417330131
  C        16.4831187272        6.8359099618       14.2141512926
  C        15.5671016633        7.8787753145       14.0270107454
  C        17.4874104341        7.2675283083       17.7738346459
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  F        16.7941023736        6.3146094722       18.4814883507
  F        18.7608134468        6.7888912853       17.5429264073
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  F        10.4787699232       13.7360516490       16.4302533681
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  F        17.3752775911        6.5270028585       12.0301094569
  F        15.6575690485        5.2701537398       12.6130220673
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  H        10.6823687735       11.2898351454       18.9659130215
  H        13.0358800771       12.4677959240       15.5681191944
  H        13.1408118853        8.3927765933       16.9410367351
  H        15.5759303328       11.9075358537       16.3101829522
  H        17.7894955942       13.9008515981       13.2020693260
  H        15.0713318353       10.7088608216       12.2166809651
  H        12.7521894578       11.6976723024       13.0332047670
  H        10.1824150310        8.9210240435       10.9864576278
  H        13.0735025811        7.4728899160       13.8117536405
  H        15.6756603719        9.2642414413       17.1276313417
  H        17.8072223409        5.8539499079       15.6027588995
  H        15.1241263831        8.0114826109       13.0439893392
  F         2.7346992147       18.6293194818       20.1412538853
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  F         1.4145692818       18.0830098034       18.4785585312
  F         3.3609985673       17.0922360299       18.6366156607
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  C         4.1740683863       19.0362634952       16.8630785253
  C         4.6807965479       20.0146227377       15.9773180104
  C         4.2538582715       21.3304674419       16.2138366562
  C         3.4435089085       21.6695820006       17.3037298889
  C         2.9973248660       20.6971784837       18.1996558818
  C         2.9243240845       23.0674715531       17.4353352528
  F         2.2998920775       23.2930260177       18.6241451522
  F         3.9028701998       24.0255094377       17.3049439752
  F         1.9932722112       23.2931829115       16.4317619388
  B         5.6111672928       19.6410293151       14.6753891038
  C         6.6771793784       18.4389633086       14.9694182789
  C         7.2971855384       18.3095684847       16.2254404244
  C         8.2507811467       17.3166429113       16.4692256422
  C         8.6297408193       16.4121135035       15.4793077651
  C         8.0592894174       16.5553722497       14.2137571757
  C         7.1225059927       17.5668585209       13.9621670773
  C         8.4247095576       15.6010205611       13.1146725313
  F         7.3134864779       15.0319714301       12.5404379321
  F         9.2153143126       14.5701477196       13.5624527931
  F         9.1085954511       16.2280405621       12.0996914129
  C         8.7851146412       17.1567381214       17.8529415549
  F         8.9106021404       18.3680910441       18.4852329191
  F        10.0152452221       16.5635536692       17.8933423515
  F         7.9540869449       16.3796747841       18.6298528751
  C         6.6218822413       20.8613696072       14.2732084021
  C         7.1974400175       21.7110778006       15.2356357669
  C         8.1690270360       22.6590794762       14.8965597503
  C         8.6181547342       22.7932090321       13.5790861936
  C         8.0499781485       21.9643654998       12.6103027289
  C         7.0838600188       21.0146468124       12.9551346207
  C         8.4070186894       22.1087439702       11.1611301548
  F         8.8236839602       20.9025158583       10.6307779566
  F         9.3807107997       23.0311702285       10.9275525848
  F         7.3263670881       22.5138915314       10.4111394632
  C         8.6836675121       23.5835048430       15.9586657703
  F         9.6017148759       24.4685884809       15.4766702550
  F         7.6881327416       24.3569451081       16.5043562691
  F         9.2718359872       22.8894399308       17.0058445379
  C         4.5567621259       19.2694030175       13.4739342750
  C         4.0669281121       17.9662276917       13.2703592396
  C         3.1009391434       17.6849407775       12.2885222490
  C         2.5930343231       18.6954684449       11.4755697087
  C         3.0382149779       20.0044245518       11.6844288001
  C         4.0015196390       20.2795528145       12.6628427930
  C         2.4079629092       21.1087641740       10.8809215972
  F         2.3725696660       20.7816730287        9.5376392452
  F         1.0973933566       21.3293353138       11.2593738843
  F         3.0371961431       22.3139158734       10.9976405915
  C         2.5130285039       16.3049605510       12.1861288671
  F         1.9327161578       16.0512446313       10.9839530430
  F         3.4289788774       15.3107687056       12.3968691766
  F         1.5241834354       16.1217874845       13.1294315480
  H         4.4102732487       17.9875651135       16.6987611880
  H         4.5551708067       22.1192202634       15.5242129400
  H         2.3693880386       20.9727392269       19.0427305236
  H         7.0395081612       18.9964826676       17.0283826214
  H         9.3395309337       15.6189078940       15.6909794110
  H         6.7276698122       17.6731543316       12.9520483129
  H         6.8810731740       21.6374819726       16.2756105554
  H         9.3718965429       23.5283947929       13.3184113748
  H         6.6796789425       20.3770321138       12.1709683000
  H         4.4404574924       17.1469104151       13.8825561838
  H         1.8647880955       18.4609511641       10.6998892296
  H         4.3331674566       21.3068216169       12.7883548651
  F        15.6191170754        1.2738303536       -0.2930681338
  C        15.6610872967        1.6632316115        1.0284694488
  F        16.9903116525        1.8951564865        1.3192887511
  F        15.0493882303        2.8817419601        1.1025075309
  C        15.0704436294        0.6046732750        1.9265679393
  C        14.2661139213        0.9262618312        3.0267679622
  C        13.7654177335       -0.0662791397        3.8996495763
  C        14.2118595076       -1.3784246019        3.6717158008
  C        14.9993063269       -1.7090375289        2.5655655736
  C        15.4096531567       -0.7298194495        1.6602764277
  C        15.4658085924       -3.1229147883        2.3875355260
  F        16.0474901221       -3.3177029585        1.1737543071
  F        14.4466888027       -4.0449792980        2.4972571133
  F        16.4083154219       -3.4518021353        3.3573578476
  B        12.8074314454        0.2517439656        5.1889970438
  C        11.7291386658        1.4500670316        4.8813074135
  C        11.1204102925        1.5486130001        3.6122015600
  C        10.1488694316        2.5153450083        3.3300056007
  C         9.7264727534        3.4156638138        4.3138305712
  C        10.3050577780        3.3270059632        5.5770047342
  C        11.2808076444        2.3581910862        5.8581505240
  C         9.9337006544        4.3020735669        6.6589119265
  F        11.0495526507        4.8835918427        7.1926344711
  F         9.1276056503        5.3283720604        6.2337050941
  F         9.3001530331        3.6783160809        7.7031595172
  C         9.6279847916        2.7050352204        1.9359911228
  F         9.4975554273        1.5289907280        1.2480645728
  F         8.4071587768        3.3374976189        1.9060047088
  F        10.4697657942        3.4713650014        1.1699971258
  C        11.8292527429       -1.0103932364        5.5694680066
  C        11.3117936846       -1.9062103317        4.6147557648
  C        10.3186494652       -2.8387316107        4.9364572639
  C         9.8297169685       -2.9581560966        6.2398000753
  C        10.3465879192       -2.0927536056        7.2028819095
  C        11.3132931920       -1.1375982266        6.8710415168
  C         9.9449463387       -2.1939791509        8.6412088325
  F         9.5865078705       -0.9760705895        9.1674982765
  F         8.9048679726       -3.0521704505        8.8720039935
  F        11.0136353848       -2.6158958199        9.3955625867
  C         9.7581210642       -3.7067256594        3.8519600329
  F         8.8173639266       -4.5696021986        4.3250271198
  F        10.7213418662       -4.4563636107        3.2256705647
  F         9.1434544485       -2.9685045094        2.8591286596
  C        13.8651697457        0.6033831012        6.3826911935
  C        14.3547329498        1.8988140864        6.5971843924
  C        15.3185529402        2.1880968826        7.5727934887
  C        15.8339362235        1.1754843415        8.3853938687
  C        15.4089183750       -0.1306600833        8.1355973402
  C        14.4553282039       -0.4176257489        7.1580366895
  C        16.0248332663       -1.2322580124        8.9361706589
  F        16.0436049863       -0.8796152511       10.2709414072
  F        17.3294410249       -1.4921489466        8.5821148961
  F        15.3728438555       -2.4190097958        8.8070118507
  C        15.8733721428        3.5782681558        7.6557571663
  F        16.4730817076        3.8602195002        8.8556590006
  F        14.9155916986        4.5286323117        7.4142754214
  F        16.8235489513        3.7854343965        6.6760286404
  H        14.0312664012        1.9744614966        3.2088682607
  H        13.9343627116       -2.1620589335        4.3763948344
  H        15.9906261208       -1.0021237006        0.7845409425
  H        11.4225138368        0.8486995932        2.8329248371
  H         8.9793838640        4.1689322915        4.0894552027
  H        11.7035346068        2.3267859626        6.8623001792
  H        11.6841580800       -1.8848541117        3.5912726497
  H         9.0906120773       -3.7111940263        6.4957861780
  H        11.6707282328       -0.4732795985        7.6558591149
  H        13.9803620743        2.7188405663        5.9831272478
  H        16.5414871526        1.3987543134        9.1800452335
  H        14.1708225507       -1.4542902537        6.9979904072
  H        10.7481780395       11.8182139126        4.7934108299
  H        11.7051643403       10.1481349347        3.2424677570
     646
 i =       61, E =         0.0148861269
 Rh         3.6212617953        0.2291553060        4.8188832311
  P         5.3841432694        0.6367579496        6.2754476179
  C         5.2540999320       -0.2684872060        7.8808178776
  C         4.8063065488       -1.7258253928        7.6772862418
  C         4.5312978289       -2.4053413784        9.0277556145
  C         5.7120883960       -2.2569651612        9.9996415329
  C         6.1961681632       -0.8065013529       10.1485926082
  C         6.4952518627       -0.1624313495        8.7835830582
  C         5.6722351940        2.3991332660        6.7822083823
  C         4.6700887945        2.8024151225        7.8905899374
  C         4.5925278877        4.3165157593        8.1569392709
  C         4.5251421408        5.1324946562        6.8631381313
  C         5.7273817479        4.7847753268        5.9824045525
  C         5.6028769038        3.3207414548        5.5486475890
  C         6.9934332618        0.0938315693        5.4974168517
  C         6.9489312828        0.2352426396        3.9696311516
  P         5.2966595452       -0.2382109176        3.2686831957
  C         5.4347458829       -2.0263879303        2.7542404286
  C         4.3074131792       -2.4216016741        1.7804407541
  C         4.3768650788       -3.9103020294        1.4225955922
  C         4.2204636556       -4.7590651089        2.6854993595
  C         5.3343886138       -4.4301671273        3.6850361493
  C         5.3863162092       -2.9255497236        4.0101794280
  C         5.1909837519        0.7230572662        1.6916407521
  C         4.9214826765        2.2251941455        1.9138820900
  C         4.4318555865        2.8317851399        0.5891932747
  C         5.4671350453        2.6248399061       -0.5296104331
  C         5.9190747046        1.1588380227       -0.6593373326
  C         6.3576991697        0.5686224017        0.6952832184
  C         1.8706537502        0.3080843516        3.4606816786
  C         1.8963774876       -0.9493036350        4.0694829675
  C         1.0514265631       -0.8448455371        5.3482142401
  C         1.9021168950        0.0840479853        6.2409233136
  C         1.8665448707        1.3433208164        5.6389909665
  C         0.9982245350        1.1994242435        4.3698506279
  C        -0.0373972448        0.1637480522        4.8904709982
  H         4.4299755932        0.2552841706        8.3910892464
  H         5.5744782746       -2.2871548878        7.1260905416
  H         3.9034075533       -1.7372125841        7.0484661157
  H         4.3177074645       -3.4711297970        8.8652728099
  H         3.6200674534       -1.9729290898        9.4646143489
  H         5.4379571954       -2.6659302983       10.9823213280
  H         6.5499832285       -2.8658223724        9.6354281476
  H         7.1022620025       -0.7773100302       10.7721544223
  H         5.4333555766       -0.2040938875       10.6662587660
  H         6.7994646367        0.8838503156        8.9220331623
  H         7.3484489602       -0.6703918633        8.3178397844
  H         6.6954654047        2.4491312591        7.1873293990
  H         4.9442548515        2.2957012121        8.8258677155
  H         3.6689218496        2.4332304729        7.6275382600
  H         5.4766577853        4.6367598142        8.7263820849
  H         3.7222526366        4.5161964494        8.7980873118
  H         4.4790844707        6.2048100571        7.0924724474
  H         3.6035183253        4.8961171266        6.3103749267
  H         6.6544761304        4.9194367148        6.5574055665
  H         5.8061032896        5.4417335028        5.1080425409
  H         6.3813808312        3.0499582380        4.8217317194
  H         4.6369528440        3.1743541542        5.0376364348
  H         7.8283106766        0.6696033160        5.9212772685
  H         7.1488200292       -0.9553152405        5.7859537437
  H         7.7516754244       -0.3325263667        3.4771600677
  H         7.0808724742        1.2879722869        3.6834231553
  H         6.4061456732       -2.1463628118        2.2460272929
  H         4.3100232745       -1.8026328620        0.8747636103
  H         3.3404021827       -2.2455972333        2.2659224081
  H         5.3364754740       -4.1364394771        0.9344282284
  H         3.5898023564       -4.1437914303        0.6961255192
  H         4.2167542173       -5.8295238865        2.4371456634
  H         3.2369930949       -4.5538237912        3.1348881376
  H         5.1925555545       -4.9851361697        4.6240773729
  H         6.3001001168       -4.7541909284        3.2700291738
  H         6.2475711262       -2.7203818189        4.6621915348
  H         4.4885254790       -2.6457741484        4.5853826322
  H         4.2928758975        0.3035449036        1.2099331269
  H         5.8513518636        2.7262084947        2.2238462346
  H         4.1923684301        2.3822237038        2.7224799094
  H         4.2146517158        3.9019016864        0.7103199260
  H         3.4799695688        2.3510407467        0.3186680106
  H         6.3452441758        3.2513045230       -0.3184145742
  H         5.0590294921        2.9794794058       -1.4873200222
  H         6.7397332790        1.0835965670       -1.3879207629
  H         5.0906650365        0.5479680767       -1.0518600813
  H         7.2299626485        1.1196828007        1.0669491487
  H         6.6754088205       -0.4748775892        0.5748506196
  H         2.1475317029        0.5491368223        2.4386550283
  H         2.1865364095       -1.8946813991        3.6230559920
  H         0.7384978462       -1.7938378901        5.7909437175
  H         2.1417553428       -0.1277641465        7.2802551600
  H         2.0739410158        2.2949887263        6.1186335597
  H         0.6313896077        2.1265610833        3.9233841472
  H        -0.6201152778        0.5498983699        5.7324209668
  H        -0.7031627897       -0.2278638055        4.1159037682
 Rh        14.7206606078       19.6417024494       14.9524712115
  P        12.9281178745       19.1986145717       13.5154177520
  C        13.0871858155       20.1908471894       11.9634720969
  C        13.4947695010       21.6524828548       12.2190907977
  C        13.8375100814       22.3371935136       10.8865421228
  C        12.6866955369       22.2383887355        9.8751049436
  C        12.2691319763       20.7770512528        9.6556311387
  C        11.9129220780       20.0775331867       10.9797574231
  C        12.6270142542       17.4663111393       12.8983218281
  C        13.6427855820       17.0394284722       11.8153763369
  C        13.5712189873       15.5296491159       11.5328652938
  C        13.7900326541       14.7339258439       12.8227479167
  C        12.6770648241       15.0531270977       13.8248900330
  C        12.6497949102       16.5540878269       14.1426522092
  C        11.3104572354       19.6469109069       14.3609014613
  C        11.4279268056       19.6922203632       15.8974998483
  P        13.1087083426       20.1816961603       16.5299967937
  C        12.9657304024       21.9835218764       16.9741960428
  C        13.9863899708       22.4721098694       18.0280561260
  C        14.0176513080       24.0116531750       18.1529300638
  C        14.0727928901       24.7440466804       16.8065477469
  C        12.9272109823       24.2781414413       15.9072547817
  C        13.0990925808       22.7779397790       15.6603938082
  C        13.3083732743       19.2295810379       18.1106876240
  C        13.5569790040       17.7393753658       17.8065133692
  C        14.0380113968       17.0196687816       19.0722585438
  C        13.0223759357       17.1583873490       20.2171084914
  C        12.6064775289       18.6220139521       20.4596010679
  C        12.2011760111       19.3757995017       19.1719807768
  C        16.4207779131       19.6528499599       16.3466200732
  C        16.4545550559       20.8384439204       15.6066444883
  C        17.3403288569       20.5657824332       14.3767148582
  C        16.4793669028       19.5739945121       13.5596594448
  C        16.4456339010       18.3913746916       14.2983601020
  C        17.2860793683       18.6384706946       15.5697075205
  C        18.3769433922       19.5828271721       14.9891137874
  H        13.9583460051       19.7045802993       11.4930851383
  H        12.6875367061       22.1965891194       12.7297682283
  H        14.3630403117       21.6701279021       12.8961908155
  H        14.1179046289       23.3854860714       11.0580480233
  H        14.7259341843       21.8423286347       10.4685999205
  H        12.9899686715       22.6937838149        8.9217486483
  H        11.8217890764       22.8151574291       10.2317967953
  H        11.4146488240       20.7149636671        8.9658753693
  H        13.1021602764       20.2337040708        9.1820090678
  H        11.6652313139       19.0263601310       10.7870825970
  H        11.0121205883       20.5326021980       11.4087953582
  H        11.6207755002       17.4506016024       12.4479860713
  H        13.4640013085       17.5978056102       10.8860188761
  H        14.6646750396       17.2922813130       12.1343999654
  H        12.5861189813       15.2752447427       11.1140695661
  H        14.3135129427       15.2616649780       10.7679159766
  H        13.8400858390       13.6567450019       12.6146678124
  H        14.7643335749       15.0039337982       13.2586955774
  H        11.7107299256       14.7246243269       13.4185138012
  H        12.8263555028       14.5113639343       14.7686228103
  H        11.7885680382       16.7928100740       14.7852001141
  H        13.5498032871       16.8047452161       14.7261016239
  H        10.5462476423       18.9104741861       14.0728387223
  H        10.9758743985       20.6138172391       13.9595149161
  H        10.6612087843       20.3425662922       16.3421114662
  H        11.2679967062       18.6866793193       16.3099081923
  H        11.9485075054       22.1323113146       17.3694738889
  H        13.7441385354       22.0489277501       19.0142762222
  H        14.9927144055       22.1079434645       17.7813327053
  H        13.1196739076       24.3469722542       18.6900943731
  H        14.8763977667       24.2988704509       18.7743270779
  H        14.0370075261       25.8286916564       16.9743118510
  H        15.0291158895       24.5543018346       16.2978249844
  H        12.9039464563       24.8179759665       14.9517774661
  H        11.9615201324       24.4637129596       16.3985407947
  H        12.3911046541       22.4044787206       14.9091740654
  H        14.1035205021       22.5975230452       15.2449884980
  H        14.2330785683       19.6460159139       18.5452894849
  H        12.6216275163       17.2774016397       17.4539748571
  H        14.2862280709       17.6351199011       16.9884762639
  H        14.2252668546       15.9588228901       18.8510470228
  H        15.0056780679       17.4483504550       19.3739479851
  H        12.1348866141       16.5499619894       19.9906313153
  H        13.4483003006       16.7428246609       21.1417482623
  H        11.7745003670       18.6528375614       21.1790671497
  H        13.4458880318       19.1594673917       20.9279311476
  H        11.2535714325       18.9754037625       18.7876138203
  H        12.0198228051       20.4312358569       19.4104292987
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 Rh        12.6635975504        9.7506791789        4.7078047114
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  C        13.3241920991       13.7718466743        7.9674384156
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  F         7.4998397187        5.8836320772        3.2984185004
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  F        11.2170186858        9.0166600744       20.2278891936
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  C        13.2394360964       10.3774391113       16.0854570000
  C        12.7873554484        9.4150070486       17.0156638614
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  C        15.7968509706       12.0191858420       15.2472907728
  C        16.7114963450       13.0023860698       14.8492571726
  C        17.0784763703       13.1405182145       13.5054960042
  C        16.4903644852       12.2855149721       12.5665062843
  C        15.5399413922       11.3387053480       12.9697632821
  C        16.8327853925       12.3978770428       11.1001875309
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  F        15.7505911149       12.8160496199       10.3455907753
  F        17.2344338947       11.1925766783       10.5632980039
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  F        18.1473919171       14.8370164140       15.4062816608
  F        17.8400088174       13.2537772268       16.9382789371
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  C        12.4487038951       10.6671048430       12.8542957343
  C        11.4557591917       10.4145373803       11.8962564544
  C        11.0033481455        9.1139911793       11.6698327649
  C        11.6025325315        8.0724045411       12.3811011282
  C        12.6201587993        8.3252110182       13.3058966883
  C        11.0277054154        6.6991479013       12.2303082588
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  F        11.9225200698        5.6910161569       12.4651249090
  F        10.0065690445        6.4973975388       13.1310411301
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  F        10.6213992892       12.6629827897       11.7460656972
  F        11.7654551416       11.8802550437       10.0522362253
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  C        15.8757932888        8.5829449149       16.2972070975
  C        16.8146652856        7.5631898351       16.4700838100
  C        17.1086494395        6.6649760121       15.4413496332
  C        16.4825616665        6.8358060157       14.2144144060
  C        15.5668922382        7.8783609764       14.0257612522
  C        17.4871801205        7.2674943992       17.7728676089
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  F        16.7953236261        6.3139204033       18.4815565669
  F        18.7601180300        6.7885495764       17.5430861305
  C        11.3860424858       13.4256535661       17.4288829377
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  F        10.4787935273       13.7358825359       16.4301892354
  F        12.4011161946       14.3382349447       17.3059663506
  F        17.6246023854        4.8715910245       13.4863351816
  F        17.3737845395        6.5284171844       12.0292450964
  F        15.6585057276        5.2697060700       12.6138991573
  C        16.7896740622        5.8821134523       13.0930770934
  H        10.6853526051       11.2898434741       18.9666241894
  H        13.0390200757       12.4669245598       15.5687255558
  H        13.1388576146        8.3906918836       16.9380495422
  H        15.5718626136       11.9113339477       16.3080582580
  H        17.7895295294       13.9019510749       13.2011146948
  H        15.0739856685       10.7081755931       12.2147797398
  H        12.7513051363       11.6982338457       13.0323626889
  H        10.1861898637        8.9195594633       10.9825699353
  H        13.0698484433        7.4745906000       13.8179252639
  H        15.6729816472        9.2615747305       17.1272659670
  H        17.8076661619        5.8528330075       15.6023650122
  H        15.1251993031        8.0092041246       13.0427981160
  F         2.7332713974       18.6310431346       20.1410152290
  C         2.7379906464       18.2935499245       18.7966588335
  F         1.4130153544       18.0952741816       18.4713371533
  F         3.3677056417       17.0904732354       18.6365706636
  C         3.3502181368       19.3667690809       17.9485144287
  C         4.1749953785       19.0366380145       16.8636950829
  C         4.6817602581       20.0151104456       15.9767694564
  C         4.2551766685       21.3312935422       16.2134192529
  C         3.4437314918       21.6693533011       17.3033521418
  C         2.9977205019       20.6967447786       18.1985030503
  C         2.9236521516       23.0680642246       17.4354415841
  F         2.2999259006       23.2923520574       18.6246204170
  F         3.9031144834       24.0252482210       17.3054219447
  F         1.9926918201       23.2930936514       16.4318279864
  B         5.6118172329       19.6412684003       14.6741803159
  C         6.6759514372       18.4376889150       14.9694699269
  C         7.2955785026       18.3076574286       16.2246364952
  C         8.2498425372       17.3165491663       16.4693032586
  C         8.6297920027       16.4113776195       15.4786981535
  C         8.0584867372       16.5546505404       14.2141303877
  C         7.1206726528       17.5647716389       13.9616781226
  C         8.4245447420       15.6005066948       13.1144079779
  F         7.3133475761       15.0315877182       12.5403972311
  F         9.2155365149       14.5698586098       13.5624799971
  F         9.1086905437       16.2278597166       12.0997394112
  C         8.7845483600       17.1565138356       17.8529043288
  F         8.9091907022       18.3682525203       18.4851291413
  F        10.0159141475       16.5646288290       17.8929515817
  F         7.9550137552       16.3782663304       18.6304659238
  C         6.6218894954       20.8615636326       14.2726481231
  C         7.1974249751       21.7115272206       15.2348961594
  C         8.1686809195       22.6601113195       14.8956498022
  C         8.6169602625       22.7947158929       13.5780807348
  C         8.0492447215       21.9652008113       12.6097901007
  C         7.0833974614       21.0150585561       12.9546539711
  C         8.4067812479       22.1089967374       11.1609976152
  F         8.8235982883       20.9026617632       10.6308115038
  F         9.3806845565       23.0312978714       10.9275117607
  F         7.3261074132       22.5139404341       10.4110360381
  C         8.6834211283       23.5837573910       15.9584761299
  F         9.6018897081       24.4688877472       15.4767922277
  F         7.6880044413       24.3569201780       16.5045220852
  F         9.2715856218       22.8894711274       17.0056179003
  C         4.5558574598       19.2706430534       13.4744548884
  C         4.0655954138       17.9676258371       13.2697725741
  C         3.1004242198       17.6856326523       12.2894805531
  C         2.5905787133       18.6969039739       11.4758792064
  C         3.0378779673       20.0066291060       11.6858322501
  C         3.9999178329       20.2808213591       12.6633167811
  C         2.4072865042       21.1099722622       10.8811284389
  F         2.3727956092       20.7817433767        9.5375489781
  F         1.0964533658       21.3298543322       11.2579739229
  F         3.0372875286       22.3132149888       10.9981037393
  C         2.5123977715       16.3051154064       12.1860651423
  F         1.9326353167       16.0511645803       10.9839465438
  F         3.4289915963       15.3110242126       12.3970017133
  F         1.5242097250       16.1217057363       13.1296230311
  H         4.4131852626       17.9861043600       16.6972274187
  H         4.5557346643       22.1186767462       15.5266118171
  H         2.3673240904       20.9689742049       19.0419157963
  H         7.0364186067       18.9938408919       17.0282865516
  H         9.3402665653       15.6188839555       15.6904897019
  H         6.7248634993       17.6688413234       12.9521859519
  H         6.8816962843       21.6382301726       16.2749056337
  H         9.3699371395       23.5308516969       13.3165189581
  H         6.6794067098       20.3777895366       12.1702098294
  H         4.4394226277       17.1483533455       13.8825386300
  H         1.8617796941       18.4638935983       10.7018924022
  H         4.3311337295       21.3088135689       12.7899692778
  F        15.6207630296        1.2735276657       -0.2934092924
  C        15.6610811609        1.6641975606        1.0282124884
  F        16.9897612454        1.8955570432        1.3203132129
  F        15.0492501693        2.8825440754        1.1026726905
  C        15.0702846738        0.6056666962        1.9264970190
  C        14.2640352312        0.9263670848        3.0263499432
  C        13.7643176385       -0.0672208554        3.8988514049
  C        14.2110973258       -1.3787818267        3.6702800083
  C        15.0000562423       -1.7082533372        2.5644749745
  C        15.4112207235       -0.7280848284        1.6609317513
  C        15.4661574546       -3.1224646384        2.3872794517
  F        16.0477420275       -3.3175690310        1.1733828247
  F        14.4470728765       -4.0442911790        2.4971146054
  F        16.4081625868       -3.4514034168        3.3568620049
  B        12.8067570158        0.2527761001        5.1874824747
  C        11.7293199935        1.4513046834        4.8792697434
  C        11.1205651177        1.5506278088        3.6105681437
  C        10.1476770711        2.5172839625        3.3308115270
  C         9.7269109364        3.4177249484        4.3135571288
  C        10.3052883916        3.3280597908        5.5759507385
  C        11.2814899590        2.3587633410        5.8566574071
  C         9.9341706851        4.3023416220        6.6590048596
  F        11.0498226958        4.8836417868        7.1927058083
  F         9.1279027448        5.3285177580        6.2338342856
  F         9.3007287274        3.6782398429        7.7031000895
  C         9.6276473468        2.7066296365        1.9370102225
  F         9.4995853589        1.5326079940        1.2474692286
  F         8.4055757932        3.3365519534        1.9064554734
  F        10.4695193448        3.4667664723        1.1640711586
  C        11.8281033000       -1.0085044739        5.5691065775
  C        11.3097143247       -1.9036021876        4.6143888177
  C        10.3177245975       -2.8371932606        4.9364574035
  C         9.8292343639       -2.9563581876        6.2399422391
  C        10.3466519850       -2.0912599066        7.2031220216
  C        11.3132761627       -1.1360643251        6.8712961243
  C         9.9451596777       -2.1934177211        8.6413232861
  F         9.5865598628       -0.9758780554        9.1677671446
  F         8.9049704382       -3.0522410381        8.8719395318
  F        11.0137652064       -2.6158583253        9.3954096519
  C         9.7579507793       -3.7062002190        3.8522075699
  F         8.8171080961       -4.5694386147        4.3245446873
  F        10.7216733265       -4.4561305846        3.2263331968
  F         9.1437433176       -2.9685739351        2.8586782972
  C        13.8647580093        0.6034160152        6.3819650982
  C        14.3542486526        1.9006648441        6.5960455907
  C        15.3192814457        2.1876066636        7.5722519963
  C        15.8352578784        1.1764937202        8.3826267812
  C        15.4089749196       -0.1310472059        8.1343086005
  C        14.4542703297       -0.4158112444        7.1574784769
  C        16.0248388860       -1.2318717013        8.9355565187
  F        16.0435781309       -0.8793087231       10.2705674176
  F        17.3294493093       -1.4920622399        8.5819240735
  F        15.3728283464       -2.4189718653        8.8067643937
  C        15.8734564975        3.5787858073        7.6552371199
  F        16.4729885551        3.8600439573        8.8552680446
  F        14.9156522864        4.5286961633        7.4141800199
  F        16.8236806400        3.7856128462        6.6758578819
  H        14.0270950716        1.9739415794        3.2090627098
  H        13.9335610745       -2.1637665791        4.3732491473
  H        15.9950632144       -0.9991213340        0.7864550735
  H        11.4208761591        0.8521793991        2.8297247396
  H         8.9801286282        4.1718472637        4.0909863685
  H        11.7046517148        2.3260293006        6.8607977890
  H        11.6804801555       -1.8804646744        3.5906245411
  H         9.0896152340       -3.7083927836        6.4971186288
  H        11.6717997427       -0.4717880700        7.6560026382
  H        13.9796186729        2.7201873439        5.9833814619
  H        16.5448297417        1.3987949477        9.1758901207
  H        14.1678601501       -1.4532154303        6.9985520898
  H        10.7522185941       11.8152989159        4.7942391242
  H        11.6996021125       10.1410461334        3.2344655327
     646
 i =       62, E =         0.0000659421
 Rh         3.6215978227        0.2293925531        4.8186332147
  P         5.3841955697        0.6369397061        6.2756276069
  C         5.2534220551       -0.2690569643        7.8804045523
  C         4.8067583517       -1.7266336729        7.6777903185
  C         4.5319322114       -2.4052775799        9.0277232416
  C         5.7124560657       -2.2579504719        9.9995463145
  C         6.1960736006       -0.8074519494       10.1478763468
  C         6.4938090507       -0.1629064166        8.7836547980
  C         5.6722239202        2.3993149107        6.7824152719
  C         4.6698539010        2.8029214779        7.8903344144
  C         4.5929520024        4.3166766984        8.1568774513
  C         4.5255111320        5.1330171806        6.8636467978
  C         5.7266498822        4.7849629650        5.9818474695
  C         5.6033616889        3.3209703124        5.5491983883
  C         6.9934498071        0.0937341707        5.4977972681
  C         6.9497192923        0.2347267260        3.9701133263
  P         5.2969128891       -0.2381104149        3.2693001833
  C         5.4346537697       -2.0264150203        2.7547724093
  C         4.3087702836       -2.4213386708        1.7798667768
  C         4.3772184654       -3.9096176766        1.4233646011
  C         4.2206617254       -4.7593580404        2.6861594276
  C         5.3352626524       -4.4300916539        3.6849562053
  C         5.3869392209       -2.9257687675        4.0113248765
  C         5.1897685385        0.7226513549        1.6919079818
  C         4.9202628212        2.2249647175        1.9140612165
  C         4.4325482109        2.8317119121        0.5891193205
  C         5.4670512053        2.6248877887       -0.5296084588
  C         5.9189084684        1.1590202510       -0.6589681559
  C         6.3563057313        0.5677038816        0.6954714056
  C         1.8703979682        0.3079762205        3.4614308224
  C         1.8965044733       -0.9486377133        4.0696972699
  C         1.0511941395       -0.8445044993        5.3489152182
  C         1.9033376285        0.0845640752        6.2425031616
  C         1.8671983504        1.3429461372        5.6384444344
  C         0.9988501199        1.1996525060        4.3707014029
  C        -0.0361806403        0.1638244888        4.8897037841
  H         4.4284666214        0.2547043458        8.3906300129
  H         5.5760527775       -2.2872648672        7.1267097791
  H         3.9039110735       -1.7395950470        7.0477189032
  H         4.3164847015       -3.4716310920        8.8657823928
  H         3.6211315794       -1.9719219079        9.4651702891
  H         5.4379971593       -2.6666334715       10.9826070154
  H         6.5504530607       -2.8673654113        9.6360525523
  H         7.1022227409       -0.7771142256       10.7718525397
  H         5.4324370654       -0.2056250910       10.6659560563
  H         6.7988484142        0.8832281983        8.9217653343
  H         7.3473208049       -0.6712490194        8.3165547569
  H         6.6956168752        2.4495467046        7.1882038726
  H         4.9429278470        2.2955015746        8.8258192562
  H         3.6685444216        2.4341254390        7.6264036515
  H         5.4770722233        4.6366178701        8.7264830323
  H         3.7225138753        4.5166006923        8.7985723217
  H         4.4802430750        6.2054005159        7.0932479560
  H         3.6029985027        4.8976623882        6.3111537405
  H         6.6545433593        4.9209206220        6.5559956709
  H         5.8042414826        5.4415585465        5.1069817645
  H         6.3828378680        3.0503638496        4.8225661660
  H         4.6379372363        3.1734859249        5.0370230864
  H         7.8286477467        0.6692725208        5.9222915758
  H         7.1486186982       -0.9554281944        5.7863279148
  H         7.7520604073       -0.3330392452        3.4782370847
  H         7.0823255720        1.2880112164        3.6836307919
  H         6.4060646414       -2.1465018111        2.2470888723
  H         4.3134298699       -1.8030031853        0.8740578580
  H         3.3396413973       -2.2429926924        2.2637578703
  H         5.3359517404       -4.1361870252        0.9347834718
  H         3.5891677613       -4.1436598011        0.6968870384
  H         4.2175336311       -5.8291351053        2.4372349194
  H         3.2376444834       -4.5543061592        3.1359278995
  H         5.1931986846       -4.9856615913        4.6245735633
  H         6.3005440910       -4.7539884893        3.2704804873
  H         6.2478503946       -2.7205875026        4.6623877879
  H         4.4889231640       -2.6463940086        4.5867492326
  H         4.2912914055        0.3029148556        1.2112503293
  H         5.8501670653        2.7254783808        2.2250581262
  H         4.1905768128        2.3818496962        2.7218836913
  H         4.2149016951        3.9022357957        0.7106624251
  H         3.4801156029        2.3514358134        0.3175598880
  H         6.3461850906        3.2515972258       -0.3183936541
  H         5.0595725666        2.9797045922       -1.4870756571
  H         6.7402035732        1.0832449357       -1.3870540711
  H         5.0902993305        0.5487155691       -1.0526759055
  H         7.2288261881        1.1181423224        1.0678320803
  H         6.6730417396       -0.4756990244        0.5748789824
  H         2.1459809781        0.5487659820        2.4380255360
  H         2.1860289318       -1.8946720549        3.6234264862
  H         0.7387293957       -1.7929085097        5.7918088272
  H         2.1440168027       -0.1277751025        7.2793115638
  H         2.0775136740        2.2958034513        6.1178532635
  H         0.6318360560        2.1274374999        3.9241010434
  H        -0.6217482643        0.5501498905        5.7320495084
  H        -0.7013271950       -0.2280114805        4.1148719538
 Rh        14.7203126122       19.6413550023       14.9531596293
  P        12.9287471597       19.1985852519       13.5157496025
  C        13.0878844650       20.1909967679       11.9638406032
  C        13.4949240635       21.6520838834       12.2176136078
  C        13.8375033618       22.3379098046       10.8868000526
  C        12.6868048759       22.2381618576        9.8755272856
  C        12.2690414480       20.7775345364        9.6560214268
  C        11.9138321470       20.0778785638       10.9799546236
  C        12.6279242014       17.4660870289       12.8997109265
  C        13.6430012185       17.0392297397       11.8165251266
  C        13.5715186888       15.5297066926       11.5332613918
  C        13.7898894449       14.7336487021       12.8228531433
  C        12.6773765465       15.0528735758       13.8251307413
  C        12.6500444921       16.5535040626       14.1436584795
  C        11.3110850336       19.6476935125       14.3607588434
  C        11.4272884450       19.6917333394       15.8968705522
  P        13.1082914952       20.1814194580       16.5298460018
  C        12.9658132876       21.9832977855       16.9735631461
  C        13.9860978516       22.4715396503       18.0274266758
  C        14.0172367155       24.0107736592       18.1531053709
  C        14.0726805431       24.7439951811       16.8071916807
  C        12.9278353639       24.2781876671       15.9071989277
  C        13.0971793576       22.7781036195       15.6600901165
  C        13.3090500332       19.2294782281       18.1102889747
  C        13.5572960669       17.7391908590       17.8066215911
  C        14.0382078523       17.0194983047       19.0726625265
  C        13.0217777770       17.1589195425       20.2167254943
  C        12.6068918170       18.6223740768       20.4593332231
  C        12.2019551790       19.3757069289       19.1715780635
  C        16.4213711524       19.6510621632       16.3481606082
  C        16.4542870176       20.8406715168       15.6069306001
  C        17.3401602700       20.5650268223       14.3765616934
  C        16.4787405528       19.5749987349       13.5590094779
  C        16.4447487219       18.3891295228       14.2983851784
  C        17.2858722677       18.6387539862       15.5690019951
  C        18.3764339570       19.5827228380       14.9892324058
  H        13.9594471386       19.7040001707       11.4928676295
  H        12.6864032782       22.1962790593       12.7282950153
  H        14.3629044096       21.6714396221       12.8969150358
  H        14.1176877934       23.3858339097       11.0581610559
  H        14.7270946440       21.8432586704       10.4679612934
  H        12.9899331621       22.6941391423        8.9210981280
  H        11.8223497033       22.8156556211       10.2320789353
  H        11.4140392478       20.7154312637        8.9667114455
  H        13.1017579728       20.2338807720        9.1816495356
  H        11.6650262288       19.0265109587       10.7874138415
  H        11.0130849370       20.5332751794       11.4099841071
  H        11.6210550766       17.4503824006       12.4494934241
  H        13.4638595448       17.5981157204       10.8871389633
  H        14.6650454787       17.2921946522       12.1350928440
  H        12.5867923972       15.2754075003       11.1138698076
  H        14.3143713253       15.2621260714       10.7684180520
  H        13.8393350417       13.6561478519       12.6143027177
  H        14.7645970910       15.0026040195       13.2587767253
  H        11.7107262792       14.7250455556       13.4184176852
  H        12.8261331092       14.5102017278       14.7684987507
  H        11.7890344097       16.7919824544       14.7862691362
  H        13.5503179387       16.8039809284       14.7277830186
  H        10.5460512851       18.9115596316       14.0709067054
  H        10.9776266335       20.6147722068       13.9597924104
  H        10.6604527373       20.3421514192       16.3413768012
  H        11.2667039507       18.6860226118       16.3094419780
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 Rh        12.6635071573        9.7524513066        4.7075659036
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  F        11.2161602174        9.0167232761       20.2279568838
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  C        13.2402093906       10.3740236156       16.0860410688
  C        12.7865369143        9.4175569995       17.0147639509
  B        14.1567323026        9.9768848207       14.7797770328
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  C        15.7963393706       12.0204115355       15.2469113582
  C        16.7112252419       13.0029545520       14.8486862915
  C        17.0790346727       13.1415588261       13.5056295397
  C        16.4906458113       12.2853224847       12.5656918047
  C        15.5411003499       11.3394836745       12.9695021314
  C        16.8357181117       12.3976049304       11.1004162499
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  F        15.7515445930       12.8164070578       10.3453573435
  F        17.2342629208       11.1922477754       10.5631916459
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  F        18.1475427818       14.8369300890       15.4061707715
  F        17.8399485025       13.2538931930       16.9379501597
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  C        12.4485114307       10.6671519766       12.8540385530
  C        11.4553802468       10.4143391074       11.8959294535
  C        11.0044284922        9.1142029064       11.6694133081
  C        11.6027861559        8.0743480719       12.3811602407
  C        12.6204163837        8.3251570736       13.3081243805
  C        11.0270362477        6.6974340411       12.2300705231
  F        10.4967974511        6.4944709271       10.9936574244
  F        11.9228875920        5.6910084041       12.4651895942
  F        10.0063681935        6.4976413668       13.1311133151
  C        10.8990397931       11.5261845782       11.0523808847
  F         9.7388536006       11.1779090834       10.4120258940
  F        10.6231860613       12.6630856814       11.7451093388
  F        11.7682661063       11.8862013866       10.0470188709
  C        15.2006193795        8.7499922127       15.0661646392
  C        15.8749558487        8.5828703873       16.2971377629
  C        16.8149676200        7.5625890499       16.4706715565
  C        17.1082953272        6.6647699162       15.4405644823
  C        16.4831975095        6.8347797539       14.2128817030
  C        15.5692916578        7.8755846827       14.0263494931
  C        17.4870399205        7.2677500418       17.7742661261
  F        17.6145300518        8.3291093624       18.6237690814
  F        16.7946577229        6.3143661522       18.4811174916
  F        18.7605690698        6.7888327610       17.5427701454
  C        11.3860663667       13.4264074338       17.4288735302
  F        10.7848676679       13.6689322369       18.6261468208
  F        10.4791658080       13.7358464519       16.4305302840
  F        12.4007292546       14.3380412962       17.3059640453
  F        17.6303382486        4.8710062475       13.4881214099
  F        17.3765313990        6.5273902440       12.0291964489
  F        15.6561948867        5.2697745675       12.6117748181
  C        16.7864326019        5.8849285930       13.0941720720
  H        10.6867061507       11.2897740018       18.9669473427
  H        13.0402904409       12.4661535069       15.5693726248
  H        13.1382389773        8.3888902262       16.9366035998
  H        15.5700341527       11.9130059512       16.3071312055
  H        17.7895982982       13.9024179668       13.2008251534
  H        15.0752567320       10.7078102368       12.2138676505
  H        12.7509935855       11.6989097269       13.0320325004
  H        10.1877073479        8.9188802551       10.9805989266
  H        13.0676373990        7.4762225149       13.8201185930
  H        15.6719149912        9.2599183048       17.1264676752
  H        17.8078982130        5.8523415211       15.6021751787
  H        15.1247287607        8.0086141835       13.0406215228
  F         2.7329827224       18.6278016664       20.1387193244
  C         2.7375618976       18.2974333030       18.7967050230
  F         1.4161533253       18.0871612293       18.4770393098
  F         3.3601967233       17.0914656446       18.6375844517
  C         3.3530650586       19.3670205623       17.9459366509
  C         4.1761720772       19.0368857067       16.8619259228
  C         4.6814075879       20.0113955207       15.9788654205
  C         4.2550009976       21.3321965459       16.2139638513
  C         3.4424701381       21.6670090998       17.3058393146
  C         2.9972339788       20.6966651214       18.1974898543
  C         2.9245635257       23.0667703834       17.4351608287
  F         2.2995649757       23.2933259776       18.6245903204
  F         3.9027774960       24.0261707211       17.3050002794
  F         1.9925874210       23.2938426259       16.4315941251
  B         5.6116802974       19.6413496474       14.6740476225
  C         6.6751137438       18.4379245418       14.9701507057
  C         7.2952005502       18.3060896315       16.2233790235
  C         8.2490946290       17.3167002670       16.4698738598
  C         8.6297355421       16.4110075378       15.4776907669
  C         8.0585327885       16.5540152242       14.2146110893
  C         7.1201026103       17.5632970718       13.9607153022
  C         8.4246711438       15.6001873228       13.1146039069
  F         7.3134673394       15.0317923829       12.5401707618
  F         9.2151778336       14.5702836234       13.5623488456
  F         9.1084849807       16.2279209500       12.0997328076
  C         8.7850271307       17.1561845036       17.8532731187
  F         8.9101467259       18.3676032245       18.4849186539
  F        10.0147985564       16.5642820229       17.8932633981
  F         7.9546722089       16.3794306540       18.6295413709
  C         6.6222781536       20.8617612429       14.2720937527
  C         7.1975081485       21.7117293544       15.2344944693
  C         8.1685236321       22.6604819839       14.8950600943
  C         8.6164012942       22.7953051471       13.5776063137
  C         8.0492042870       21.9658637221       12.6098440658
  C         7.0831977748       21.0152162465       12.9544303432
  C         8.4068322203       22.1091496314       11.1606586397
  F         8.8236799955       20.9028040038       10.6308121135
  F         9.3805387796       23.0311099991       10.9275039004
  F         7.3262761504       22.5139846673       10.4108435416
  C         8.6837616129       23.5842594848       15.9584349787
  F         9.6015593642       24.4683996150       15.4768515186
  F         7.6880884649       24.3569884330       16.5043201814
  F         9.2716423006       22.8895006931       17.0053644887
  C         4.5560834600       19.2715337356       13.4748970363
  C         4.0640627890       17.9680496440       13.2685758020
  C         3.1008392230       17.6856485338       12.2907172960
  C         2.5886707117       18.6974598663       11.4750098535
  C         3.0381648095       20.0079650656       11.6869728902
  C         3.9984375556       20.2810043204       12.6627485364
  C         2.4068125552       21.1080094472       10.8813467450
  F         2.3725150706       20.7822049903        9.5377524405
  F         1.0963293743       21.3302218578       11.2586226009
  F         3.0380466471       22.3152971253       10.9976681603
  C         2.5126825165       16.3059086306       12.1859775762
  F         1.9324993430       16.0510535215       10.9837853402
  F         3.4289747719       15.3111259672       12.3968372155
  F         1.5238168488       16.1216419007       13.1297088134
  H         4.4141701281       17.9873048213       16.6968300065
  H         4.5567457145       22.1199583688       15.5262014464
  H         2.3668336689       20.9676252003       19.0409490183
  H         7.0348693594       18.9931648337       17.0287309094
  H         9.3405905547       15.6190005254       15.6902597784
  H         6.7236328445       17.6670170330       12.9524665226
  H         6.8819793851       21.6385021884       16.2746541872
  H         9.3690223504       23.5319310713       13.3156979039
  H         6.6793006685       20.3780806815       12.1698446446
  H         4.4392235900       17.1487124276       13.8827670911
  H         1.8609815559       18.4653418922       10.7033109376
  H         4.3304468417       21.3099588485       12.7907656773
  F        15.6189056304        1.2744586570       -0.2924692922
  C        15.6608670436        1.6642132474        1.0284170727
  F        16.9904512152        1.8954640043        1.3192078104
  F        15.0494037039        2.8820781134        1.1019021706
  C        15.0701938634        0.6057413801        1.9262430400
  C        14.2630899129        0.9265144246        3.0262612871
  C        13.7640384803       -0.0674534131        3.8980887859
  C        14.2105360338       -1.3786668754        3.6698116251
  C        15.0005488989       -1.7084588237        2.5639848497
  C        15.4117509647       -0.7270957423        1.6615846458
  C        15.4661861935       -3.1215758869        2.3867353057
  F        16.0476852005       -3.3177097276        1.1734494166
  F        14.4469512455       -4.0446005895        2.4972780597
  F        16.4084051057       -3.4517752519        3.3570283579
  B        12.8065513431        0.2532063255        5.1870911360
  C        11.7293773126        1.4520248664        4.8784975098
  C        11.1209120535        1.5509385862        3.6099625979
  C        10.1471923583        2.5191455027        3.3300215845
  C         9.7272758983        3.4182959730        4.3139970895
  C        10.3055556121        3.3290936324        5.5769001712
  C        11.2818791633        2.3587944659        5.8559219184
  C         9.9346011413        4.3018426378        6.6583944921
  F        11.0502083043        4.8838414162        7.1928456288
  F         9.1275496267        5.3288224314        6.2338258357
  F         9.3004000241        3.6782517867        7.7030889780
  C         9.6280496095        2.7073399072        1.9343312100
  F         9.4973659341        1.5300999166        1.2482446951
  F         8.4071661145        3.3380690602        1.9065313810
  F        10.4687004163        3.4689531187        1.1689192389
  C        11.8273386844       -1.0076239595        5.5694663102
  C        11.3087187482       -1.9024437946        4.6142991282
  C        10.3172468017       -2.8364642043        4.9362736663
  C         9.8288048512       -2.9556467955        6.2405432442
  C        10.3467009846       -2.0905972451        7.2027900441
  C        11.3134824295       -1.1352369841        6.8710920412
  C         9.9446973380       -2.1935151539        8.6418111552
  F         9.5864529673       -0.9760291108        9.1675420570
  F         8.9054509018       -3.0516292691        8.8717736134
  F        11.0137018191       -2.6157722028        9.3953955669
  C         9.7577590136       -3.7062348677        3.8518629326
  F         8.8174012899       -4.5692610360        4.3250228079
  F        10.7211603642       -4.4559602884        3.2260878241
  F         9.1435544641       -2.9684851657        2.8591478567
  C        13.8645230953        0.6012547552        6.3820474830
  C        14.3541701149        1.9035237158        6.5952051525
  C        15.3199790223        2.1864210269        7.5726699689
  C        15.8356368276        1.1789778468        8.3807174088
  C        15.4089670807       -0.1330311217        8.1340330135
  C        14.4532659270       -0.4134816711        7.1564872201
  C        16.0247975003       -1.2314813506        8.9352232620
  F        16.0434035886       -0.8793620159       10.2703256210
  F        17.3293040734       -1.4921776273        8.5821118760
  F        15.3728550643       -2.4187395203        8.8068282823
  C        15.8733165366        3.5782807314        7.6548818579
  F        16.4730935608        3.8601769840        8.8553315176
  F        14.9153649960        4.5291640138        7.4141287154
  F        16.8240088528        3.7857562432        6.6756415066
  H        14.0252758794        1.9735023569        3.2089825408
  H        13.9330717604       -2.1645533537        4.3718781908
  H        15.9972467099       -0.9978640209        0.7871254974
  H        11.4201998254        0.8538524923        2.8284046821
  H         8.9800947942        4.1735130868        4.0913333089
  H        11.7049356187        2.3258273973        6.8598839618
  H        11.6788424182       -1.8784871220        3.5900885567
  H         9.0892318292       -3.7071416684        6.4975495467
  H        11.6721855311       -0.4712534448        7.6559870139
  H        13.9795177461        2.7201560101        5.9838910541
  H        16.5465020021        1.3986574789        9.1741783423
  H        14.1664565478       -1.4531726097        6.9988152327
  H        10.7536630149       11.8136754279        4.7944017379
  H        11.6972575140       10.1381400892        3.2309283534
     646
 i =       63, E =         0.0110797234
 Rh         3.6222030157        0.2297520201        4.8183636498
  P         5.3842553837        0.6371823731        6.2758052061
  C         5.2519862801       -0.2697250769        7.8800016977
  C         4.8073850362       -1.7279934912        7.6778916464
  C         4.5325848847       -2.4058064332        9.0278843642
  C         5.7131760433       -2.2596533565        9.9995360504
  C         6.1958067391       -0.8088368848       10.1472278992
  C         6.4921928627       -0.1638748102        8.7832753594
  C         5.6724570034        2.3996261989        6.7829679615
  C         4.6693499677        2.8035002426        7.8899935718
  C         4.5934133082        4.3170684419        8.1570663592
  C         4.5258355499        5.1339018842        6.8642640700
  C         5.7257726363        4.7854900870        5.9811049080
  C         5.6041480322        3.3211236071        5.5496422097
  C         6.9936658917        0.0936448513        5.4985637837
  C         6.9507406161        0.2344650112        3.9708570741
  P         5.2973149155       -0.2380022569        3.2702110568
  C         5.4346580058       -2.0264072475        2.7559136418
  C         4.3100450024       -2.4206694580        1.7795582353
  C         4.3771177723       -3.9089828485        1.4243387669
  C         4.2213297369       -4.7592629078        2.6871119390
  C         5.3362617986       -4.4302295462        3.6855721099
  C         5.3873950925       -2.9261003632        4.0126358287
  C         5.1878425979        0.7220381331        1.6924411199
  C         4.9185588381        2.2244450595        1.9142790783
  C         4.4329957501        2.8318821902        0.5889658946
  C         5.4677240682        2.6252328235       -0.5292822426
  C         5.9185515197        1.1591015796       -0.6586038806
  C         6.3539833481        0.5665325142        0.6958744710
  C         1.8703078491        0.3084337971        3.4615468936
  C         1.8967134408       -0.9484574469        4.0704409195
  C         1.0514892521       -0.8435687702        5.3501040976
  C         1.9046109363        0.0854475517        6.2431257693
  C         1.8687878454        1.3433377337        5.6386383776
  C         0.9996295241        1.2003544330        4.3716338813
  C        -0.0352246776        0.1643675794        4.8897304668
  H         4.4262287937        0.2535979774        8.3897327184
  H         5.5784993721       -2.2874148574        7.1278439792
  H         3.9050339282       -1.7434623312        7.0467083205
  H         4.3146011893       -3.4720219906        8.8666556925
  H         3.6229474898       -1.9703227566        9.4660083707
  H         5.4380986215       -2.6677233997       10.9829115675
  H         6.5511522686       -2.8698206362        9.6370348932
  H         7.1020471553       -0.7768341605       10.7712352900
  H         5.4311120766       -0.2082340093       10.6653801709
  H         6.7977977837        0.8822012803        8.9213583397
  H         7.3451249945       -0.6723894171        8.3147265908
  H         6.6956672734        2.4501787801        7.1895515787
  H         4.9407270677        2.2952418624        8.8256320734
  H         3.6679980498        2.4356550108        7.6245829513
  H         5.4777885479        4.6363692860        8.7266343652
  H         3.7231601297        4.5172140211        8.7992113467
  H         4.4821594965        6.2063291473        7.0945137208
  H         3.6023130520        4.9002113272        6.3125463876
  H         6.6544826726        4.9233382504        6.5535624638
  H         5.8011651760        5.4412265960        5.1052673822
  H         6.3850573396        3.0510933040        4.8240878670
  H         4.6396376133        3.1721096148        5.0360843059
  H         7.8290469085        0.6686418587        5.9238375944
  H         7.1482780559       -0.9556258353        5.7869674124
  H         7.7528832583       -0.3340603902        3.4798518162
  H         7.0846323931        1.2877131151        3.6840527927
  H         6.4060811903       -2.1467177042        2.2488028379
  H         4.3190372101       -1.8035471593        0.8727545082
  H         3.3391691242       -2.2389004274        2.2598916131
  H         5.3353372355       -4.1358826230        0.9352605323
  H         3.5884628750       -4.1432938139        0.6983948120
  H         4.2187923848       -5.8287715991        2.4373178662
  H         3.2385815471       -4.5550612940        3.1376802848
  H         5.1943648408       -4.9863054046        4.6250074374
  H         6.3015480761       -4.7537314215        3.2710345106
  H         6.2486599471       -2.7208294617        4.6629693293
  H         4.4896779489       -2.6474256010        4.5889133253
  H         4.2886819204        0.3018655907        1.2133704678
  H         5.8481606392        2.7242867700        2.2270438011
  H         4.1875413358        2.3812681712        2.7209646944
  H         4.2153867926        3.9025156066        0.7111563051
  H         3.4805544060        2.3522002174        0.3158597589
  H         6.3472918650        3.2517881391       -0.3184247064
  H         5.0603476951        2.9801368814       -1.4868556002
  H         6.7408767875        1.0827021435       -1.3855941174
  H         5.0898020503        0.5499781574       -1.0539472936
  H         7.2269291565        1.1155488730        1.0692345015
  H         6.6692123805       -0.4772308112        0.5748690679
  H         2.1433574250        0.5480454110        2.4375697392
  H         2.1851701797       -1.8944434271        3.6240759921
  H         0.7389716439       -1.7916968266        5.7933005772
  H         2.1479744938       -0.1279440652        7.2789773757
  H         2.0830688960        2.2963747158        6.1161393620
  H         0.6327149725        2.1285290696        3.9254207383
  H        -0.6237969768        0.5502168987        5.7306554594
  H        -0.6983529828       -0.2282701595        4.1130928775
 Rh        14.7202900141       19.6408469794       14.9543372595
  P        12.9297100120       19.1986471265       13.5163011938
  C        13.0894200663       20.1907364990       11.9638951016
  C        13.4952561947       21.6520546761       12.2165662482
  C        13.8380668429       22.3383933090       10.8865268180
  C        12.6871494032       22.2384292526        9.8755546075
  C        12.2689670000       20.7780800565        9.6565129959
  C        11.9148310735       20.0782272136       10.9804885343
  C        12.6289533046       17.4657234573       12.9017854867
  C        13.6434329113       17.0390542687       11.8181612849
  C        13.5721342743       15.5298085296       11.5338440061
  C        13.7897923262       14.7329253388       12.8229787481
  C        12.6776669170       15.0523644754       13.8255166696
  C        12.6508828639       16.5526758921       14.1454871894
  C        11.3117875355       19.6484325179       14.3602463972
  C        11.4262808253       19.6909254870       15.8961388818
  P        13.1075798932       20.1809404894       16.5295578029
  C        12.9651286367       21.9829694726       16.9728196690
  C        13.9861474036       22.4705313146       18.0261353756
  C        14.0166143285       24.0094690666       18.1535043097
  C        14.0728686084       24.7433860278       16.8080444202
  C        12.9284558934       24.2785944451       15.9070093008
  C        13.0950064132       22.7783174288       15.6595201348
  C        13.3100728765       19.2293229976       18.1096871159
  C        13.5583715311       17.7389324969       17.8066542711
  C        14.0383240613       17.0193822189       19.0732496469
  C        13.0210279127       17.1594721530       20.2164560986
  C        12.6075077826       18.6231150173       20.4590051446
  C        12.2032031099       19.3758020117       19.1709266990
  C        16.4223694189       19.6511524516       16.3478305746
  C        16.4545066197       20.8390560735       15.6078136938
  C        17.3396302163       20.5647407797       14.3762512475
  C        16.4775867232       19.5743787513       13.5599349130
  C        16.4438668768       18.3897379363       14.2979783969
  C        17.2856249560       18.6378450850       15.5685291628
  C        18.3758146259       19.5824496388       14.9890719945
  H        13.9609033795       19.7032638082       11.4927113029
  H        12.6848968550       22.1955382663       12.7256840794
  H        14.3622412388       21.6735306790       12.8976855036
  H        14.1173281225       23.3866435922       11.0584215642
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 Rh        12.6633889419        9.7553523177        4.7069874825
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  F        11.2153603926        9.0169484339       20.2276712831
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  C        11.8693491957       12.0103638124       17.3046070288
  C        12.7457636451       11.6801732072       16.2622265922
  C        13.2409136160       10.3749901591       16.0854013496
  C        12.7864641076        9.4155336572       17.0138687774
  B        14.1569529186        9.9771260108       14.7790431849
  C        15.1636446266       11.1799004703       14.3144237082
  C        15.7950342877       12.0217223249       15.2454024358
  C        16.7109047280       13.0041624115       14.8481621156
  C        17.0792469582       13.1422366605       13.5049752252
  C        16.4923761299       12.2862678902       12.5652998922
  C        15.5421875129       11.3396183952       12.9680013475
  C        16.8384378779       12.3967252555       11.1003739073
  F        17.8549122071       13.2680196618       10.8541460901
  F        15.7530390277       12.8165760780       10.3453930330
  F        17.2344470600       11.1915049405       10.5629755843
  C        17.2415442728       13.9375638308       15.9002104905
  F        16.2468716421       14.6707923062       16.4968205196
  F        18.1476705438       14.8368539387       15.4060864862
  F        17.8399069559       13.2539623419       16.9376287451
  C        13.0628958048        9.6322390539       13.5909299279
  C        12.4481352066       10.6673082794       12.8536095411
  C        11.4555913380       10.4141642717       11.8962421553
  C        11.0052753689        9.1141710070       11.6678717967
  C        11.6035024446        8.0750942445       12.3820516685
  C        12.6191968051        8.3258853449       13.3100463692
  C        11.0267304197        6.6968654192       12.2300283533
  F        10.4965848952        6.4947800713       10.9935746090
  F        11.9232836797        5.6907330138       12.4651970052
  F        10.0060152096        6.4975944340       13.1312455708
  C        10.8981492157       11.5255047839       11.0536372418
  F         9.7386574022       11.1772775786       10.4109499375
  F        10.6251304475       12.6625227689       11.7442276300
  F        11.7680785792       11.8903463953       10.0454620997
  C        15.2002127186        8.7500660790       15.0656915929
  C        15.8739267210        8.5821316901       16.2965313114
  C        16.8148799176        7.5617636105       16.4704835946
  C        17.1085386274        6.6641318563       15.4404988011
  C        16.4842997204        6.8333879843       14.2121436714
  C        15.5698743037        7.8744031199       14.0256914309
  C        17.4869829649        7.2674175782       17.7749640582
  F        17.6142609113        8.3288309383       18.6231718959
  F        16.7936309552        6.3146966199       18.4810323646
  F        18.7611208050        6.7891854755       17.5424398240
  C        11.3863180674       13.4263376262       17.4288719799
  F        10.7849942538       13.6691819270       18.6259014319
  F        10.4793953407       13.7358456885       16.4306872930
  F        12.4006436074       14.3381174477       17.3058999166
  F        17.6339881635        4.8730497184       13.4897976883
  F        17.3782300691        6.5261075030       12.0301256924
  F        15.6551330434        5.2704506706       12.6106954302
  C        16.7846377366        5.8851265319       13.0936405959
  H        10.6887728071       11.2899610518       18.9675673944
  H        13.0427105719       12.4662781839       15.5694537839
  H        13.1364618590        8.3883232965       16.9343696391
  H        15.5670644702       11.9157277855       16.3057950455
  H        17.7900154185       13.9034972907       13.2003286991
  H        15.0776556207       10.7076212991       12.2127779308
  H        12.7504454591       11.6996811447       13.0314598789
  H        10.1905626446        8.9178863223       10.9777134049
  H        13.0645990339        7.4778506532       13.8242981944
  H        15.6700487413        9.2578028758       17.1258598603
  H        17.8079718947        5.8518998387       15.6017176001
  H        15.1249690445        8.0072658358       13.0390354814
  F         2.7333705706       18.6250901622       20.1359906782
  C         2.7371192894       18.3014835261       18.7962862524
  F         1.4193704698       18.0761948705       18.4835811096
  F         3.3527898664       17.0919825142       18.6377947045
  C         3.3558293947       19.3686511181       17.9436635912
  C         4.1774198885       19.0350669484       16.8604827599
  C         4.6816684711       20.0107509255       15.9796752120
  C         4.2549101503       21.3310441164       16.2154135893
  C         3.4420923155       21.6661302194       17.3065629594
  C         2.9961445202       20.6939229256       18.1971195869
  C         2.9250571898       23.0657830623       17.4352519827
  F         2.2995129988       23.2940060378       18.6241486568
  F         3.9023315125       24.0264461262       17.3045453444
  F         1.9930773264       23.2940572256       16.4316415550
  B         5.6114057073       19.6413543329       14.6742969754
  C         6.6741083120       18.4369912367       14.9689240593
  C         7.2940223509       18.3052090537       16.2235334745
  C         8.2488605524       17.3154652860       16.4696051786
  C         8.6297900278       16.4110807578       15.4779649795
  C         8.0581145970       16.5530619218       14.2141989324
  C         7.1189027085       17.5618807591       13.9610213526
  C         8.4246638628       15.6000368769       13.1147941845
  F         7.3135329640       15.0319381259       12.5399779920
  F         9.2150490061       14.5703622850       13.5622519254
  F         9.1083181102       16.2280133749       12.0997816522
  C         8.7851456325       17.1561359979       17.8531961772
  F         8.9112949438       18.3672971980       18.4848975261
  F        10.0140640306       16.5634514033       17.8935431620
  F         7.9538968277       16.3803961056       18.6289822537
  C         6.6225430617       20.8619338768       14.2716464479
  C         7.1977525906       21.7121344558       15.2338624613
  C         8.1682500905       22.6611700915       14.8945650711
  C         8.6157773879       22.7965710400       13.5769069365
  C         8.0488066630       21.9664852096       12.6094573230
  C         7.0831689156       21.0156904742       12.9538148222
  C         8.4067475468       22.1093082897       11.1603784135
  F         8.8237675332       20.9029798390       10.6307994874
  F         9.3805691406       23.0311034508       10.9274031893
  F         7.3263951476       22.5140499889       10.4105766677
  C         8.6838034555       23.5844517586       15.9581639604
  F         9.6015292918       24.4682875403       15.4767239723
  F         7.6881495617       24.3571835078       16.5041752437
  F         9.2717320636       22.8895430047       17.0050962007
  C         4.5554548373       19.2724860748       13.4746983948
  C         4.0637117069       17.9689346774       13.2688822082
  C         3.0992587739       17.6867745930       12.2899581736
  C         2.5881013396       18.6986401291       11.4763924054
  C         3.0366650820       20.0078004426       11.6871522946
  C         3.9980587818       20.2824718975       12.6637626351
  C         2.4064991475       21.1078202340       10.8815560128
  F         2.3722080569       20.7823854681        9.5382777556
  F         1.0964396605       21.3304534332       11.2597639609
  F         3.0380014197       22.3165342440       10.9971732270
  C         2.5128631088       16.3064222459       12.1860934900
  F         1.9325279428       16.0512213080       10.9837735305
  F         3.4288564888       15.3113834350       12.3966246371
  F         1.5236388181       16.1217194168       13.1295745275
  H         4.4158492869       17.9887166501       16.6961447490
  H         4.5581895321       22.1216534829       15.5259391705
  H         2.3659677118       20.9654141001       19.0394323141
  H         7.0326631748       18.9913197238       17.0285753089
  H         9.3410983034       15.6192233831       15.6897956904
  H         6.7214687320       17.6640633742       12.9523828617
  H         6.8824335903       21.6389041234       16.2742007241
  H         9.3674250193       23.5336018364       13.3144140158
  H         6.6791171095       20.3785408465       12.1692428659
  H         4.4385774744       17.1497815043       13.8826589423
  H         1.8586503208       18.4673337893       10.7045177968
  H         4.3289933332       21.3110939995       12.7918563581
  F        15.6170893249        1.2750298156       -0.2919733456
  C        15.6607204052        1.6642269502        1.0287876051
  F        16.9910491839        1.8952927894        1.3181823598
  F        15.0494500753        2.8818623131        1.1014251007
  C        15.0696969858        0.6064812389        1.9265395144
  C        14.2619519350        0.9264574249        3.0255683645
  C        13.7632906453       -0.0675683907        3.8971626453
  C        14.2100285823       -1.3790199550        3.6685749177
  C        15.0008465700       -1.7080651612        2.5636669043
  C        15.4131402441       -0.7263192612        1.6619710438
  C        15.4663478069       -3.1211392515        2.3861727885
  F        16.0476454037       -3.3177824102        1.1733994314
  F        14.4469496958       -4.0446233619        2.4973668903
  F        16.4085946727       -3.4519851648        3.3570724221
  B        12.8061550055        0.2535738379        5.1865049851
  C        11.7297423051        1.4528986190        4.8771359151
  C        11.1203784542        1.5527248272        3.6088946460
  C        10.1474408782        2.5207872830        3.3287638998
  C         9.7271976309        3.4199573129        4.3144427086
  C        10.3064091459        3.3297701720        5.5774490215
  C        11.2821402645        2.3594408393        5.8550699689
  C         9.9348819627        4.3020121077        6.6583278443
  F        11.0506589323        4.8839988410        7.1929139897
  F         9.1274299505        5.3289122816        6.2338440357
  F         9.3001794890        3.6783295339        7.7028497307
  C         9.6279524284        2.7075535730        1.9326533737
  F         9.4952310985        1.5275390769        1.2488859741
  F         8.4082909662        3.3398639122        1.9060588553
  F        10.4685124661        3.4719517674        1.1733274134
  C        11.8262882604       -1.0061070180        5.5694005412
  C        11.3070482688       -1.9005930719        4.6140890739
  C        10.3163472286       -2.8354045525        4.9361936433
  C         9.8284300348       -2.9543429025        6.2407661143
  C        10.3466933842       -2.0894772921        7.2028716121
  C        11.3135673141       -1.1340176719        6.8711717733
  C         9.9446307501       -2.1933393064        8.6418255595
  F         9.5862549862       -0.9759345625        9.1675304368
  F         8.9056350359       -3.0513272303        8.8717298401
  F        11.0136523341       -2.6156919658        9.3954488542
  C         9.7575998474       -3.7059721768        3.8517588672
  F         8.8176518350       -4.5691408969        4.3255790908
  F        10.7207109837       -4.4558810997        3.2257264528
  F         9.1431720611       -2.9683220144        2.8593706490
  C        13.8640937168        0.6032104967        6.3810082287
  C        14.3539985775        1.9031821101        6.5950229621
  C        15.3196917516        2.1875672431        7.5709601704
  C        15.8368344944        1.1777377780        8.3793297004
  C        15.4092198199       -0.1321178959        8.1331990024
  C        14.4525042109       -0.4138305859        7.1564061405
  C        16.0247018563       -1.2315675689        8.9348493289
  F        16.0432274733       -0.8792406082       10.2700261353
  F        17.3292992139       -1.4922227125        8.5822347667
  F        15.3728530941       -2.4185296735        8.8068642558
  C        15.8734253744        3.5780115578        7.6546111157
  F        16.4730956640        3.8602977862        8.8551755348
  F        14.9152878976        4.5292382009        7.4140990338
  F        16.8241101955        3.7857745157        6.6755251436
  H        14.0222877652        1.9730025457        3.2088118341
  H        13.9321892923       -2.1657197984        4.3696753543
  H        16.0005419249       -0.9956802921        0.7885823501
  H        11.4192995080        0.8562635400        2.8260579755
  H         8.9804355021        4.1758154692        4.0920200984
  H        11.7054663362        2.3254703188        6.8584535857
  H        11.6761470282       -1.8752471344        3.5893086574
  H         9.0884550407       -3.7053192981        6.4983030275
  H        11.6727909750       -0.4704146496        7.6559244303
  H        13.9788511967        2.7214665326        5.9838123895
  H        16.5490547654        1.3986650611        9.1711034374
  H        14.1643946317       -1.4519089680        6.9992889005
  H        10.7565677420       11.8114637607        4.7948231976
  H        11.6933170421       10.1334339449        3.2254106448
     646
 i =       64, E =         0.0038275559
 Rh         3.6228890812        0.2300834781        4.8181337773
  P         5.3843117285        0.6373379667        6.2758713733
  C         5.2500247672       -0.2702132526        7.8799121760
  C         4.8079296342       -1.7295506942        7.6768714406
  C         4.5327106370       -2.4073230064        9.0284371769
  C         5.7141727997       -2.2617467352        9.9998127256
  C         6.1954698131       -0.8102542824       10.1472792004
  C         6.4913721427       -0.1650256808        8.7821716477
  C         5.6730484690        2.4000071055        6.7838933127
  C         4.6686013009        2.8037517378        7.8897560264
  C         4.5936348701        4.3176570759        8.1576918389
  C         4.5258273791        5.1350131710        6.8647079412
  C         5.7251647939        4.7864038119        5.9804080495
  C         5.6050685708        3.3209748815        5.5495412560
  C         6.9941882705        0.0936581912        5.4996796081
  C         6.9515238266        0.2349255012        3.9715808318
  P         5.2977615550       -0.2379854181        3.2710793789
  C         5.4347883786       -2.0263847694        2.7577565318
  C         4.3101242849       -2.4193813227        1.7797986323
  C         4.3762237939       -3.9090025450        1.4252223514
  C         4.2225031439       -4.7584958546        2.6879680281
  C         5.3369460105       -4.4306415878        3.6870244200
  C         5.3872976573       -2.9263707457        4.0133902944
  C         5.1857413549        0.7214588649        1.6932045687
  C         4.9168682081        2.2235972912        1.9145087312
  C         4.4325947174        2.8325262337        0.5887818508
  C         5.4693925416        2.6259570644       -0.5287126507
  C         5.9181167046        1.1589753765       -0.6585018099
  C         6.3512249931        0.5654983866        0.6963957145
  C         1.8704852290        0.3087787015        3.4614935883
  C         1.8968153076       -0.9481754857        4.0716192449
  C         1.0528215496       -0.8421880547        5.3513993569
  C         1.9053299511        0.0861494967        6.2421273387
  C         1.8711100552        1.3449815687        5.6398374894
  C         1.0003329342        1.2015770310        4.3720636224
  C        -0.0357188802        0.1653491316        4.8909509822
  H         4.4240370061        0.2521111678        8.3885601489
  H         5.5810861302       -2.2875838951        7.1293030702
  H         3.9067888770       -1.7477910989        7.0458849466
  H         4.3126866264       -3.4718821734        8.8676912211
  H         3.6251477039       -1.9686646181        9.4668062745
  H         5.4383250918       -2.6688697737       10.9829357066
  H         6.5518550925       -2.8724673273        9.6380472152
  H         7.1016709345       -0.7766200798       10.7703351837
  H         5.4298883171       -0.2112946740       10.6646413863
  H         6.7965545510        0.8809192720        8.9209374249
  H         7.3422814811       -0.6733598678        8.3130469037
  H         6.6954522336        2.4507921003        7.1909609602
  H         4.9382006919        2.2950318624        8.8252493954
  H         3.6674938515        2.4374681710        7.6225979597
  H         5.4786685262        4.6360413261        8.7267891977
  H         3.7242098958        4.5178314869        8.7997405543
  H         4.4843416151        6.2072462878        7.0959432037
  H         3.6017699748        4.9030848239        6.3142961182
  H         6.6542279086        4.9260582830        6.5506751349
  H         5.7976375397        5.4407446423        5.1034193814
  H         6.3873307667        3.0520018289        4.8260249149
  H         4.6416595148        3.1706261838        5.0351179156
  H         7.8292741351        0.6677979810        5.9253894266
  H         7.1478863505       -0.9558819663        5.7877253285
  H         7.7540518169       -0.3354611425        3.4814559198
  H         7.0871253288        1.2868939820        3.6846435054
  H         6.4064713264       -2.1469543785        2.2506382292
  H         4.3254066003       -1.8041931852        0.8712277231
  H         3.3397971412       -2.2345554053        2.2551191643
  H         5.3349953390       -4.1357091032        0.9356302392
  H         3.5880225567       -4.1426680067        0.7003521454
  H         4.2201993687       -5.8286469919        2.4373501197
  H         3.2395030343       -4.5558650407        3.1397006025
  H         5.1958444089       -4.9868368874        4.6251281365
  H         6.3030010119       -4.7535103158        3.2714212109
  H         6.2499943741       -2.7209841649        4.6639305199
  H         4.4906625308       -2.6485897456        4.5912289833
  H         4.2857559375        0.3006606017        1.2157121419
  H         5.8458484577        2.7230077632        2.2293082807
  H         4.1840209489        2.3806323052        2.7199552913
  H         4.2160249685        3.9024608020        0.7116207365
  H         3.4812754983        2.3532128828        0.3141170065
  H         6.3480091319        3.2516548952       -0.3184640966
  H         5.0611444118        2.9806855397       -1.4866861136
  H         6.7414560768        1.0821487574       -1.3838830462
  H         5.0893346992        0.5514321731       -1.0552810323
  H         7.2247979118        1.1125548648        1.0707611386
  H         6.6649355392       -0.4791686681        0.5747757191
  H         2.1405041858        0.5472588579        2.4371986341
  H         2.1842940538       -1.8943202644        3.6247193271
  H         0.7391056758       -1.7906796194        5.7951156963
  H         2.1526520880       -0.1282277832        7.2797031070
  H         2.0889480429        2.2962575353        6.1138345057
  H         0.6338665417        2.1293372907        3.9271018207
  H        -0.6252797372        0.5498919654        5.7282307174
  H        -0.6948548135       -0.2284734931        4.1112707204
 Rh        14.7202352261       19.6403335867       14.9556705150
  P        12.9307455157       19.1988762561       13.5170825648
  C        13.0915445765       20.1897392990       11.9632153163
  C        13.4958066628       21.6528169211       12.2174132893
  C        13.8394080814       22.3384359103       10.8852935205
  C        12.6877331311       22.2396306066        9.8747566636
  C        12.2688017535       20.7783778488        9.6568192057
  C        11.9152861155       20.0782435827       10.9814771502
  C        12.6295060521       17.4653043992       12.9039087684
  C        13.6440170660       17.0390925643       11.8196461189
  C        13.5730155625       15.5299136068       11.5344243262
  C        13.7899057808       14.7317278508       12.8230732091
  C        12.6777478404       15.0516273168       13.8260023032
  C        12.6523276794       16.5519532618       14.1478074532
  C        11.3120951966       19.6486102021       14.3591099140
  C        11.4252902513       19.6899166563       15.8959459058
  P        13.1067133410       20.1803258666       16.5290474139
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  F         0.7134049776       15.0281624094        6.2356196038
  F         0.8943743088       13.3785434603        7.6970935995
  F         2.6779710666       14.5674344086        7.1192662429
  C         1.5243885092       13.9948097191        6.6390681104
  H         7.8492543969        8.6255365625        0.9979410810
  H         5.0515870460        7.3392789515        3.9984967957
  H         5.4202773178       11.5224887433        3.0582904519
  H         2.7461657659        7.9825695648        3.5831367315
  H         0.6065637437        5.9725623081        6.7334242645
  H         3.3745812358        9.1363602597        7.6716970090
  H         5.6500518394        8.1582519505        6.6701549113
  H         8.0437717251       10.8376267653        9.0324201028
  H         5.4071825370       12.3868335502        5.9980083896
  H         2.8770731632       10.5857123926        2.7367595225
  H         0.5990583599       13.9833709646        4.0583999218
  H         3.1409375244       11.8830035923        6.8249413979
  F         9.9825873895        8.3890332844       18.4864329078
  C        11.2739007756        8.6569507381       18.8902891256
  F        11.9347278056        7.4706847015       18.8449303488
  F        11.2161458444        9.0169707787       20.2270306585
  C        11.8770543526        9.7312438685       18.0301934050
  C        11.4084612143       11.0374288584       18.1918318704
  C        11.8705810379       12.0113646879       17.3039457635
  C        12.7474479874       11.6784084241       16.2626328859
  C        13.2413797529       10.3767910388       16.0846630053
  C        12.7866329794        9.4128226476       17.0127327188
  B        14.1567598104        9.9774764752       14.7778569116
  C        15.1638943080       11.1808623005       14.3132196870
  C        15.7937309051       12.0233224918       15.2438212463
  C        16.7102729915       13.0052553690       14.8476155184
  C        17.0797587187       13.1431854433       13.5042874139
  C        16.4943220589       12.2867235838       12.5651031875
  C        15.5434737217       11.3396482725       12.9666422658
  C        16.8377759000       12.3961165766       11.0996869075
  F        17.8565068720       13.2697780298       10.8543268588
  F        15.7540595511       12.8158142020       10.3461692811
  F        17.2354208846       11.1907716961       10.5627933109
  C        17.2415418749       13.9379059995       15.8996657793
  F        16.2466679974       14.6711014289       16.4970874795
  F        18.1476053257       14.8370645499       15.4061955332
  F        17.8398971956       13.2538238507       16.9376888271
  C        13.0633011227        9.6343811263       13.5919073203
  C        12.4484513447       10.6678923217       12.8540402347
  C        11.4557461512       10.4141270479       11.8959067719
  C        11.0066009699        9.1131101547       11.6666652730
  C        11.6026724436        8.0727369273       12.3822495651
  C        12.6164444851        8.3269656600       13.3107556862
  C        11.0277948510        6.6993014327       12.2307065007
  F        10.4965020188        6.4940085325       10.9933641357
  F        11.9228847041        5.6905359754       12.4650007367
  F        10.0060748388        6.4970986948       13.1311386770
  C        10.9000191449       11.5287639182       11.0457899320
  F         9.7408048086       11.1777436662       10.4138124785
  F        10.6236608906       12.6620702186       11.7454011257
  F        11.7632770456       11.8842083865       10.0527488569
  C        15.2016862482        8.7471942474       15.0632321459
  C        15.8738061609        8.5798987917       16.2953188855
  C        16.8139024785        7.5614617155       16.4692681355
  C        17.1095939603        6.6631475750       15.4412052629
  C        16.4837077698        6.8339678180       14.2136057697
  C        15.5672433498        7.8765303345       14.0235537189
  C        17.4869558729        7.2664577446       17.7728225266
  F        17.6146355680        8.3301436420       18.6249003939
  F        16.7937348328        6.3142481432       18.4818276879
  F        18.7609095253        6.7890216313       17.5425954186
  C        11.3869158003       13.4254140101       17.4286722345
  F        10.7846426065       13.6690905986       18.6266168428
  F        10.4789863812       13.7358052509       16.4302842890
  F        12.4013358829       14.3386669188       17.3058569637
  F        17.6271498417        4.8755692947       13.4877221872
  F        17.3751336403        6.5264961466       12.0306219615
  F        15.6579643727        5.2704276057       12.6130343020
  C        16.7889144749        5.8803100614       13.0915741833
  H        10.6911238005       11.2901009395       18.9682678207
  H        13.0453570932       12.4663756352       15.5696471091
  H        13.1343694128        8.3879496025       16.9318961064
  H        15.5638319371       11.9187436320       16.3040413857
  H        17.7905332184       13.9047196205       13.1998584426
  H        15.0804025603       10.7074134855       12.2113730714
  H        12.7497114791       11.6997127469       13.0307193317
  H        10.1937519613        8.9168331922       10.9744506855
  H        13.0618429693        7.4784784992       13.8296488322
  H        15.6677528074        9.2563944273       17.1262801178
  H        17.8080896799        5.8514909034       15.6012303881
  H        15.1264661700        8.0053095198       13.0397334834
  F         2.7351498829       18.6283825387       20.1357839309
  C         2.7374664274       18.2978657496       18.7948240495
  F         1.4150592321       18.0818517441       18.4778668917
  F         3.3597040155       17.0905651556       18.6362654109
  C         3.3542517002       19.3670931378       17.9450717262
  C         4.1778509957       19.0348486347       16.8606622640
  C         4.6834499539       20.0143408420       15.9771660372
  C         4.2560156953       21.3308052340       16.2152254596
  C         3.4430083060       21.6671970744       17.3048012861
  C         2.9958369515       20.6930574055       18.1961740531
  C         2.9241195695       23.0668879245       17.4357382721
  F         2.3000427065       23.2926704838       18.6239588996
  F         3.9025092434       24.0248150129       17.3049143661
  F         1.9937455406       23.2927415552       16.4321226929
  B         5.6112107118       19.6414081880       14.6744846230
  C         6.6736131164       18.4352208575       14.9679905410
  C         7.2924815895       18.3045088190       16.2239218983
  C         8.2484686701       17.3147990331       16.4692133772
  C         8.6301222690       16.4107102764       15.4781541825
  C         8.0572818315       16.5526468341       14.2142531238
  C         7.1173432472       17.5605263404       13.9613543650
  C         8.4243718966       15.6000754109       13.1144109711
  F         7.3133091441       15.0315786979       12.5401410050
  F         9.2155674866       14.5696494464       13.5624201380
  F         9.1085339662       16.2279871400       12.0999249851
  C         8.7844613831       17.1563270840       17.8523541975
  F         8.9106766966       18.3680430351       18.4850180473
  F        10.0152230894       16.5632136754       17.8932915069
  F         7.9535792361       16.3794706399       18.6301492239
  C         6.6223192337       20.8618540037       14.2716624652
  C         7.1979047098       21.7124313868       15.2334329881
  C         8.1681495001       22.6621271009       14.8942197208
  C         8.6149205209       22.7978588513       13.5763803362
  C         8.0482478879       21.9669796885       12.6086228515
  C         7.0831091787       21.0161205243       12.9532055740
  C         8.4065136879       22.1094190507       11.1604099818
  F         8.8236953134       20.9030500428       10.6308160692
  F         9.3808249283       23.0314515224       10.9273169789
  F         7.3260921918       22.5140847297       10.4104925256
  C         8.6832129931       23.5840642525       15.9578122695
  F         9.6020774730       24.4690233789       15.4765006220
  F         7.6880914922       24.3572765022       16.5044044826
  F         9.2716098244       22.8895500156       17.0050420396
  C         4.5542349651       19.2730710985       13.4745212538
  C         4.0635873535       17.9702133613       13.2693980202
  C         3.0981204253       17.6877898420       12.2898301813
  C         2.5869778345       18.6993203047       11.4776696424
  C         3.0358135007       20.0082856900       11.6880397801
  C         3.9975035340       20.2837889345       12.6648875370
  C         2.4064812748       21.1112697803       10.8814865874
  F         2.3723661751       20.7818408465        9.5383934352
  F         1.0962609020       21.3304669891       11.2596580273
  F         3.0365241083       22.3141848710       10.9976275964
  C         2.5120557958       16.3061676148       12.1860001846
  F         1.9327464680       16.0515187804       10.9840354251
  F         3.4288061641       15.3118165741       12.3967886374
  F         1.5241659442       16.1218449959       13.1294442614
  H         4.4182868935       17.9865996225       16.6950848310
  H         4.5585895868       22.1205050115       15.5283738738
  H         2.3643021057       20.9626188872       19.0386549735
  H         7.0303814017       18.9889658220       17.0281580455
  H         9.3416729440       15.6195485010       15.6892924750
  H         6.7190778423       17.6607330567       12.9523844970
  H         6.8829508733       21.6392593129       16.2736121173
  H         9.3656839631       23.5355700285       13.3130499743
  H         6.6789081937       20.3790490653       12.1686212851
  H         4.4377250122       17.1510237916       13.8824187187
  H         1.8559280640       18.4693850126       10.7058258888
  H         4.3272469008       21.3123264091       12.7930038717
  F        15.6188491217        1.2737999697       -0.2931423007
  C        15.6607681015        1.6646630465        1.0289423768
  F        16.9903282593        1.8951965106        1.3191069553
  F        15.0492671527        2.8827297422        1.1024322517
  C        15.0696442075        0.6070630029        1.9269407938
  C        14.2606030251        0.9265674325        3.0247623339
  C        13.7622298353       -0.0681094309        3.8965746575
  C        14.2093718699       -1.3793771105        3.6672360574
  C        15.0011645937       -1.7070978704        2.5630492545
  C        15.4147631312       -0.7256665088        1.6622742941
  C        15.4666298838       -3.1220719901        2.3863605660
  F        16.0477942473       -3.3175503942        1.1729824660
  F        14.4473054884       -4.0438238698        2.4970722520
  F        16.4084141610       -3.4514223819        3.3566017329
  B        12.8056192504        0.2542144144        5.1855142012
  C        11.7299001556        1.4539897748        4.8755437062
  C        11.1196223399        1.5550951441        3.6072919470
  C        10.1475294677        2.5220482760        3.3289441062
  C         9.7272422682        3.4215353939        4.3137088432
  C        10.3067324348        3.3300100016        5.5756632389
  C        11.2827323795        2.3600017054        5.8542119339
  C         9.9348451953        4.3032904428        6.6594938733
  F        11.0508680203        4.8840345327        7.1928882847
  F         9.1279823374        5.3285841897        6.2339197081
  F         9.3005789201        3.6784490026        7.7026070057
  C         9.6265702365        2.7066298441        1.9356914483
  F         9.4966908994        1.5293032458        1.2484150630
  F         8.4063179382        3.3388041071        1.9052160119
  F        10.4702793045        3.4720372368        1.1687244691
  C        11.8254048511       -1.0044502641        5.5685199840
  C        11.3052153094       -1.8984673395        4.6135626172
  C        10.3154485237       -2.8342619824        4.9361984089
  C         9.8282327490       -2.9528576573        6.2402449468
  C        10.3466482970       -2.0882241737        7.2034630021
  C        11.3131837538       -1.1329962608        6.8716784011
  C         9.9454198326       -2.1925817333        8.6411639022
  F         9.5862646310       -0.9755162656        9.1679503312
  F         8.9051315181       -3.0520105915        8.8718380378
  F        11.0137019495       -2.6156890255        9.3954259885
  C         9.7575202395       -3.7053044759        3.8522570324
  F         8.8175075688       -4.5691867326        4.3253167902
  F        10.7210846518       -4.4558525246        3.2260132727
  F         9.1431087274       -2.9683176388        2.8586771294
  C        13.8638792310        0.6056653063        6.3800316445
  C        14.3533165118        1.9023805139        6.5943492414
  C        15.3198091622        2.1880303878        7.5697529506
  C        15.8380799982        1.1762660994        8.3776057893
  C        15.4091912878       -0.1305120479        8.1317125975
  C        14.4521133784       -0.4140379714        7.1567102062
  C        16.0246863990       -1.2316534203        8.9345092712
  F        16.0432528390       -0.8789177746       10.2698597922
  F        17.3295186983       -1.4920798692        8.5819239364
  F        15.3727017788       -2.4186766518        8.8066163005
  C        15.8737080343        3.5791497387        7.6542750202
  F        16.4728536535        3.8599830139        8.8546194683
  F        14.9157287038        4.5286911033        7.4141068238
  F        16.8239164883        3.7857198300        6.6755991793
  H        14.0190058019        1.9726286810        3.2084183218
  H        13.9310862451       -2.1667965800        4.3671805576
  H        16.0041128020       -0.9932204526        0.7903391623
  H        11.4184100141        0.8589086843        2.8236193796
  H         8.9811994894        4.1779660600        4.0929764901
  H        11.7062741865        2.3250694601        6.8572773532
  H        11.6730314865       -1.8715979576        3.5886978034
  H         9.0875737151       -3.7034525123        6.4991190589
  H        11.6735274162       -0.4693939162        7.6559367419
  H        13.9780689072        2.7230407230        5.9836018411
  H        16.5518411643        1.3986824701        9.1674650244
  H        14.1620326525       -1.4506825644        6.9996928190
  H        10.7603499597       11.8093751394        4.7954135184
  H        11.6887194157       10.1283284813        3.2196871514
     646
 i =       65, E =         0.0141364265
 Rh         3.6237479976        0.2305529878        4.8177399301
  P         5.3844033056        0.6375739738        6.2761039650
  C         5.2480385611       -0.2712712053        7.8794234680
  C         4.8088030964       -1.7315102970        7.6765324134
  C         4.5333548113       -2.4084146550        9.0288462317
  C         5.7152428167       -2.2642738732        9.9999627902
  C         6.1951841330       -0.8123128989       10.1466699961
  C         6.4893443567       -0.1662330890        8.7814626782
  C         5.6733971724        2.4004708921        6.7847857058
  C         4.6677614796        2.8044101106        7.8893528320
  C         4.5942660096        4.3182281168        8.1580919873
  C         4.5262069383        5.1363920894        6.8655761835
  C         5.7239386660        4.7872802886        5.9792731109
  C         5.6062502887        3.3210986024        5.5500515282
  C         6.9945626321        0.0935550871        5.5009234226
  C         6.9528514058        0.2346622681        3.9725483021
  P         5.2983277640       -0.2379031722        3.2722821768
  C         5.4348316584       -2.0264293595        2.7597653256
  C         4.3115823116       -2.4180574949        1.7792193083
  C         4.3760231289       -3.9083964433        1.4267570466
  C         4.2234959322       -4.7583184822        2.6892471020
  C         5.3384329609       -4.4307693846        3.6878292887
  C         5.3879703772       -2.9266930430        4.0151343089
  C         5.1829419941        0.7206459420        1.6940637789
  C         4.9142818992        2.2227184244        1.9149302603
  C         4.4329658242        2.8329448940        0.5885758803
  C         5.4704159905        2.6265035416       -0.5284045641
  C         5.9176440080        1.1591126896       -0.6580651806
  C         6.3477530775        0.5636980996        0.6969178192
  C         1.8703996218        0.3089022089        3.4623332330
  C         1.8970353764       -0.9473954758        4.0726769857
  C         1.0536656857       -0.8409049581        5.3530383999
  C         1.9072082377        0.0870907406        6.2433621164
  C         1.8733218731        1.3455719464        5.6398618655
  C         1.0015582378        1.2026318190        4.3733086926
  C        -0.0349152324        0.1661320376        4.8908462486
  H         4.4209847657        0.2503326398        8.3873070359
  H         5.5845473315       -2.2879613788        7.1310350314
  H         3.9086752575       -1.7533428956        7.0444841501
  H         4.3100964811       -3.4723261342        8.8689589817
  H         3.6277643689       -1.9665617578        9.4678666539
  H         5.4385914931       -2.6704562308       10.9831357630
  H         6.5527942241       -2.8758536167        9.6392793752
  H         7.1013470398       -0.7763841358       10.7693679788
  H         5.4281474394       -0.2150028319       10.6638590360
  H         6.7950195882        0.8793059436        8.9203852260
  H         7.3392419522       -0.6749335114        8.3106414181
  H         6.6954030945        2.4515566546        7.1928953267
  H         4.9349529171        2.2946540448        8.8248888911
  H         3.6667031602        2.4397461805        7.6200230513
  H         5.4797942488        4.6356127470        8.7269839420
  H         3.7253004615        4.5187394368        8.8006460580
  H         4.4871088406        6.2084723912        7.0977782769
  H         3.6008700804        4.9067227882        6.3163996833
  H         6.6541479210        4.9296245579        6.5471116630
  H         5.7931142021        5.4401817990        5.1010115846
  H         6.3904666237        3.0530698694        4.8282896557
  H         4.6441321489        3.1687221626        5.0337872278
  H         7.8297475505        0.6668522203        5.9274675082
  H         7.1473795012       -0.9561948131        5.7886928059
  H         7.7552010178       -0.3370409963        3.4836656646
  H         7.0903414999        1.2863161899        3.6852928149
  H         6.4069011328       -2.1472632674        2.2530550294
  H         4.3335360907       -1.8051439099        0.8695097777
  H         3.3397362545       -2.2287737555        2.2495110289
  H         5.3342364070       -4.1354186250        0.9362182249
  H         3.5869828326       -4.1420485902        0.7025013599
  H         4.2219874408       -5.8280783791        2.4375166389
  H         3.2408622751       -4.5568978074        3.1421959540
  H         5.1976400145       -4.9877971606        4.6258264359
  H         6.3044740843       -4.7530768373        3.2721146223
  H         6.2511858606       -2.7212796161        4.6648234448
  H         4.4917830217       -2.6499900955        4.5942074587
  H         4.2821156774        0.2991564579        1.2187550121
  H         5.8429077186        2.7214334335        2.2322324368
  H         4.1796130750        2.3797602194        2.7185638925
  H         4.2167481216        3.9027892580        0.7122628426
  H         3.4818767317        2.3543997367        0.3117849897
  H         6.3494951609        3.2518370445       -0.3182686861
  H         5.0624093875        2.9813363209       -1.4861761738
  H         6.7422827892        1.0813990715       -1.3817706011
  H         5.0886085012        0.5532415466       -1.0570285845
  H         7.2221708839        1.1087291667        1.0727206996
  H         6.6593432819       -0.4814365509        0.5746915734
  H         2.1370648455        0.5463456880        2.4362929151
  H         2.1831610665       -1.8941649569        3.6255944636
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 Rh         5.9934794622       10.0751141982       14.9898359078
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  C         6.8057045039       11.7396267461        7.4957353013
  C         5.8256125403       11.5256771930        6.5138349293
  C         7.3290487579       13.1404621908        7.7006521862
  F         7.8477094452       13.3434909681        8.9477694958
  F         6.3570798867       14.0835856141        7.4829802877
  F         8.3354321095       13.4805723384        6.8177540949
  C         7.2748267093        8.1332831208        8.6576164648
  F         8.4353603902        8.2298247995        9.3845333977
  F         7.4265398250        7.0972400771        7.7774033830
  F         6.2867403078        7.7329957293        9.5345601245
  C         3.2048245381       11.1194961797        4.7994865104
  C         2.6096270502       11.2692040180        3.5388557825
  C         1.6680298521       12.2640474120        3.2895050139
  C         1.2916158696       13.1803111308        4.2757695720
  C         1.8494026064       13.0233623489        5.5404220272
  C         2.7665819626       11.9926507526        5.8065330214
  C         1.1082066013       12.3791177037        1.9154393263
  F         1.0169603763       11.1546353625        1.3118055647
  F         1.8949259688       13.1563976687        1.0967983524
  F        -0.1568610436       12.9037229957        1.9041736843
  C         6.8246316212        6.4136917937        2.2182345153
  F         7.6167340914        6.2385661324        1.1133443396
  F         7.4996100944        5.8838472235        3.2982864143
  F         5.7131356369        5.6274053889        2.0533442683
  F         0.7133134083       15.0282208178        6.2355477582
  F         0.8947854591       13.3792286398        7.6979145663
  F         2.6779656569       14.5673626394        7.1196626601
  C         1.5243169335       13.9947630847        6.6389946929
  H         7.8421177088        8.6242532165        0.9926132653
  H         5.0542112057        7.3384093073        4.0022258571
  H         5.4213894238       11.5218822026        3.0619021927
  H         2.7502808603        7.9807535069        3.5841926167
  H         0.6049739529        5.9723171827        6.7315370633
  H         3.3699708205        9.1380916692        7.6729452885
  H         5.6465206830        8.1582676004        6.6703209886
  H         8.0432856968       10.8363932474        9.0320408283
  H         5.4116764700       12.3867520703        5.9949147935
  H         2.8789132485       10.5865868371        2.7349095444
  H         0.5968696232       13.9829629109        4.0586646300
  H         3.1443008273       11.8848478566        6.8228328944
  F         9.9826288133        8.3888530138       18.4858909829
  C        11.2738034210        8.6570539348       18.8902010989
  F        11.9348773050        7.4706825340       18.8449748987
  F        11.2167988948        9.0169345151       20.2267764008
  C        11.8784103104        9.7293702130       18.0291905139
  C        11.4102616884       11.0389381457       18.1913755296
  C        11.8717944701       12.0102736310       17.3044023515
  C        12.7490498759       11.6799908369       16.2625471311
  C        13.2423677871       10.3747637849       16.0846532645
  C        12.7859481096        9.4136281530       17.0109380121
  B        14.1573375158        9.9778713745       14.7767633406
  C        15.1638416690       11.1815412057       14.3112111486
  C        15.7922120540       12.0256004248       15.2423035826
  C        16.7096453943       13.0066645577       14.8465031801
  C        17.0807319919       13.1446841879       13.5039271227
  C        16.4960228492       12.2864846394       12.5644818845
  C        15.5455368373       11.3400787569       12.9657027289
  C        16.8383219302       12.3962827320       11.0991905591
  F        17.8566844772       13.2702748922       10.8546214751
  F        15.7544759624       12.8151185248       10.3465241181
  F        17.2361019699       11.1906359646       10.5626280729
  C        17.2413408963       13.9383371840       15.8994153761
  F        16.2466626332       14.6712651395       16.4972204935
  F        18.1476127779       14.8373407893       15.4062637602
  F        17.8397418331       13.2538178686       16.9374978136
  C        13.0629613250        9.6357379707       13.5925296383
  C        12.4481801349       10.6685164371       12.8538779086
  C        11.4556823682       10.4143486901       11.8946594513
  C        11.0084882961        9.1124141915       11.6653324373
  C        11.6020744163        8.0722452283       12.3823307982
  C        12.6144003803        8.3276007912       13.3132105229
  C        11.0279764478        6.6994734105       12.2309369756
  F        10.4968891836        6.4939384325       10.9937895576
  F        11.9224579436        5.6909338496       12.4649765378
  F        10.0064181138        6.4971640562       13.1309860735
  C        10.9009160469       11.5286029062       11.0450431022
  F         9.7404386423       11.1780403007       10.4141067611
  F        10.6220435927       12.6626390894       11.7463436214
  F        11.7638828426       11.8815472507       10.0522521006
  C        15.2016480210        8.7462794882       15.0613110089
  C        15.8729769878        8.5782198124       16.2944931920
  C        16.8137021645        7.5604798829       16.4690676013
  C        17.1094455730        6.6627870594       15.4402301314
  C        16.4829426718        6.8340963691       14.2134889891
  C        15.5676779298        7.8754376568       14.0226240806
  C        17.4866696499        7.2665596650       17.7721383194
  F        17.6147401055        8.3299472150       18.6249300516
  F        16.7944025299        6.3141255084       18.4818847871
  F        18.7604407236        6.7887491457       17.5426560533
  C        11.3873401918       13.4255207981       17.4285762962
  F        10.7848135222       13.6686330428       18.6265135063
  F        10.4790635893       13.7355838568       16.4303074414
  F        12.4014917613       14.3387062818       17.3058897961
  F        17.6253349621        4.8729828417       13.4866122947
  F        17.3740397188        6.5274723700       12.0290437883
  F        15.6584164539        5.2689771382       12.6134545707
  C        16.7901550584        5.8805884054       13.0925437971
  H        10.6941031195       11.2901371335       18.9692360890
  H        13.0484667529       12.4656301750       15.5705852449
  H        13.1322373501        8.3857539871       16.9285933923
  H        15.5597128342       11.9225795443       16.3016765225
  H        17.7911587658       13.9061941882       13.1993271210
  H        15.0838237022       10.7069543269       12.2093661430
  H        12.7489546691       11.7002502477       13.0298975392
  H        10.1977945154        8.9154644360       10.9701815270
  H        13.0577108395        7.4802873947       13.8358299209
  H        15.6650308782        9.2538908864       17.1258851536
  H        17.8088291578        5.8503924253       15.6008690728
  H        15.1271631404        8.0033187730       13.0384597347
  F         2.7360042278       18.6311193656       20.1346264682
  C         2.7375011623       18.2935143342       18.7930971616
  F         1.4130279013       18.0877316191       18.4735924169
  F         3.3655572303       17.0897718552       18.6346685796
  C         3.3532994717       19.3641716189       17.9448850223
  C         4.1789047847       19.0358716794       16.8601039419
  C         4.6847446774       20.0150430923       15.9762158194
  C         4.2572275051       21.3320302117       16.2148822365
  C         3.4431484627       21.6671132916       17.3044247383
  C         2.9955850980       20.6936857534       18.1944656243
  C         2.9239560985       23.0667102427       17.4358610516
  F         2.2999529110       23.2919745625       18.6246059477
  F         3.9029436714       24.0241531555       17.3053009160
  F         1.9934227075       23.2923365171       16.4320496062
  B         5.6113259839       19.6415168107       14.6739615742
  C         6.6724998085       18.4339641449       14.9683290670
  C         7.2910021025       18.3024741511       16.2230782508
  C         8.2474752508       17.3147025300       16.4691119169
  C         8.6301495191       16.4103588467       15.4774945408
  C         8.0566262291       16.5518802931       14.2147882726
  C         7.1154963645       17.5583147076       13.9607922510
  C         8.4242812361       15.5996257348       13.1142021434
  F         7.3131759668       15.0313066461       12.5401805195
  F         9.2156835807       14.5694984198       13.5624391951
  F         9.1086194599       16.2279032469       12.1000322905
  C         8.7842013440       17.1560797967       17.8524383384
  F         8.9098363866       18.3680864577       18.4846663878
  F        10.0154016254       16.5638146303       17.8929839060
  F         7.9540328235       16.3789630654       18.6305856513
  C         6.6223877050       20.8618843010       14.2712321737
  C         7.1980778751       21.7127125829       15.2327674031
  C         8.1677919554       22.6629522264       14.8934542985
  C         8.6137435443       22.7993431350       13.5754768009
  C         8.0476795305       21.9678565196       12.6082006517
  C         7.0827519941       21.0164385085       12.9528630243
  C         8.4064861177       22.1097719677       11.1601151008
  F         8.8236130567       20.9031753624       10.6308606094
  F         9.3807983560       23.0315268761       10.9273036515
  F         7.3258440263       22.5141107357       10.4103994697
  C         8.6831885464       23.5844672555       15.9576786154
  F         9.6021209159       24.4691347818       15.4766044094
  F         7.6880675816       24.3572011537       16.5045148102
  F         9.2713447750       22.8895578945       17.0047964131
  C         4.5533895223       19.2742105058       13.4751023031
  C         4.0623657581       17.9714754822       13.2689879018
  C         3.0975491394       17.6882473207       12.2908734294
  C         2.5847000981       18.7005020370       11.4783102814
  C         3.0351151633       20.0103193978       11.6893219970
  C         3.9959185432       20.2849102444       12.6654841821
  C         2.4061013091       21.1119043453       10.8818505384
  F         2.3725665923       20.7817820287        9.5381933890
  F         1.0954004001       21.3309048795       11.2591922419
  F         3.0365088950       22.3141042134       10.9980036594
  C         2.5116105060       16.3065551604       12.1859664198
  F         1.9326655684       16.0515373852       10.9839782796
  F         3.4288588932       15.3120786742       12.3969199334
  F         1.5241392745       16.1217469865       13.1296719365
  H         4.4211759719       17.9847219533       16.6938512329
  H         4.5593534302       22.1196171815       15.5310120540
  H         2.3621752499       20.9592097491       19.0375482927
  H         7.0272658695       18.9864940077       17.0282258766
  H         9.3426585900       15.6197610724       15.6887458291
  H         6.7160923529       17.6565043638       12.9527029659
  H         6.8836011032       21.6396677418       16.2730117120
  H         9.3634739023       23.5381214390       13.3113663359
  H         6.6786594412       20.3796842223       12.1678526878
  H         4.4368121014       17.1523885056       13.8823368199
  H         1.8527888089       18.4720225844       10.7078615032
  H         4.3251787881       21.3141501313       12.7945703177
  F        15.6201961837        1.2733768919       -0.2933632716
  C        15.6606617952        1.6651995686        1.0287625484
  F        16.9897909717        1.8953245352        1.3199303423
  F        15.0493097212        2.8832101080        1.1028879843
  C        15.0697791414        0.6075983926        1.9270256981
  C        14.2586440703        0.9265080213        3.0241192851
  C        13.7610378603       -0.0687378691        3.8956215534
  C        14.2083081454       -1.3794896460        3.6657142158
  C        15.0018702845       -1.7069084286        2.5621883137
  C        15.4166001702       -0.7243468565        1.6630363015
  C        15.4668702478       -3.1219259646        2.3862465531
  F        16.0479759639       -3.3175122388        1.1726562206
  F        14.4474877101       -4.0434331625        2.4969245758
  F        16.4084042480       -3.4511789695        3.3562706779
  B        12.8049706322        0.2553171622        5.1841403369
  C        11.7299319211        1.4554607385        4.8733986789
  C        11.1198276193        1.5570178407        3.6056218813
  C        10.1468243888        2.5242200605        3.3291955243
  C         9.7274640178        3.4234875671        4.3129458100
  C        10.3069886074        3.3311571012        5.5747317406
  C        11.2833489046        2.3606042326        5.8525455839
  C         9.9353172297        4.3035633009        6.6595850081
  F        11.0513484254        4.8843103810        7.1931419809
  F         9.1281103226        5.3288268658        6.2340515364
  F         9.3008663989        3.6784903356        7.7027626098
  C         9.6258453282        2.7073488662        1.9362997489
  F         9.4984214376        1.5316766133        1.2483159276
  F         8.4051118636        3.3374382868        1.9052437978
  F        10.4702829738        3.4702608486        1.1658297299
  C        11.8239194765       -1.0025238645        5.5680823751
  C        11.3029430805       -1.8956149264        4.6129588651
  C        10.3144723601       -2.8326325761        4.9359582689
  C         9.8276140109       -2.9511487371        6.2404024829
  C        10.3465608042       -2.0868596577        7.2033620775
  C        11.3130462140       -1.1314965362        6.8716727033
  C         9.9454822407       -2.1920458917        8.6414067558
  F         9.5863751718       -0.9754253475        9.1680831876
  F         8.9053107127       -3.0519881874        8.8716410972
  F        11.0137258950       -2.6156230871        9.3952430284
  C         9.7572227805       -3.7048170841        3.8523289090
  F         8.8174733770       -4.5690485216        4.3250186995
  F        10.7212450424       -4.4555180715        3.2266172186
  F         9.1433053303       -2.9684281302        2.8583539698
  C        13.8634058553        0.6051927967        6.3793578581
  C        14.3529402210        1.9045989480        6.5932330415
  C        15.3204949248        2.1873403181        7.5691043324
  C        15.8396380966        1.1776733028        8.3747016577
  C        15.4092191755       -0.1314948774        8.1304028734
  C        14.4508441693       -0.4120096694        7.1559533140
  C        16.0246235716       -1.2311705680        8.9338486848
  F        16.0432143735       -0.8786831787       10.2694994721
  F        17.3295008670       -1.4919959976        8.5817507198
  F        15.3726306974       -2.4186929870        8.8064030379
  C        15.8737409022        3.5793771621        7.6537352891
  F        16.4727896470        3.8598557252        8.8542419878
  F        14.9157121361        4.5288434337        7.4139868509
  F        16.8241539322        3.7859639254        6.6753460118
  H        14.0148642375        1.9721694641        3.2077822685
  H        13.9295862026       -2.1681827277        4.3640252778
  H        16.0088706668       -0.9902538239        0.7923676367
  H        11.4172017837        0.8624909243        2.8207223838
  H         8.9820567558        4.1807626735        4.0940396487
  H        11.7073220356        2.3246256335        6.8559940091
  H        11.6690388180       -1.8669463112        3.5877729353
  H         9.0866776399       -3.7008976866        6.4999911680
  H        11.6744567156       -0.4680890187        7.6560164663
  H        13.9773311215        2.7242507653        5.9838177463
  H        16.5554339830        1.3984642004        9.1628481818
  H        14.1589341084       -1.4496859383        7.0002152008
  H        10.7643504241       11.8060620533        4.7958223253
  H        11.6830691410       10.1221051331        3.2123231412
     646
 i =       66, E =         0.0030004584
 Rh         3.6243299073        0.2308959704        4.8174996194
  P         5.3844667002        0.6377609171        6.2763896044
  C         5.2471706227       -0.2722821509        7.8787733185
  C         4.8095963115       -1.7328359375        7.6773477940
  C         4.5342972015       -2.4083165564        9.0287405921
  C         5.7157203596       -2.2657182678        9.9997218750
  C         6.1949978000       -0.8137859083       10.1456054480
  C         6.4872200615       -0.1670721759        8.7816504017
  C         5.6732459150        2.4007240783        6.7851086305
  C         4.6673229926        2.8052106136        7.8889451102
  C         4.5950073764        4.3184454151        8.1579811084
  C         4.5268234569        5.1371458901        6.8663761162
  C         5.7228142826        4.7875624524        5.9784383768
  C         5.6069751558        3.3214861829        5.5509472120
  C         6.9944922835        0.0933347152        5.5014876652
  C         6.9539659995        0.2337384439        3.9732670145
  P         5.2986794947       -0.2377774631        3.2731468865
  C         5.4349427835       -2.0264558854        2.7605202850
  C         4.3139269679       -2.4177797449        1.7783884895
  C         4.3765624625       -3.9073694871        1.4278977716
  C         4.2237489429       -4.7587497801        2.6903108775
  C         5.3397688309       -4.4305977969        3.6877395263
  C         5.3889508033       -2.9269420973        4.0168960488
  C         5.1810597938        0.7200139363        1.6945073109
  C         4.9124103477        2.2224137648        1.9152115225
  C         4.4339465453        2.8327756328        0.5884369748
  C         5.4703213913        2.6265291007       -0.5282327392
  C         5.9172823738        1.1593867123       -0.6575254700
  C         6.3456274982        0.5622887529        0.6971831486
  C         1.8702669793        0.3092987865        3.4627523576
  C         1.8973357766       -0.9472459103        4.0731415378
  C         1.0534352463       -0.8403808886        5.3541724192
  C         1.9089728019        0.0880448256        6.2453339632
  C         1.8743457572        1.3450117420        5.6391719647
  C         1.0024381497        1.2029003793        4.3745978612
  C        -0.0328429238        0.1664559014        4.8899562009
  H         4.4188405226        0.2492186076        8.3867047351
  H         5.5869225343       -2.2884169282        7.1320437851
  H         3.9095299457       -1.7569394774        7.0431755985
  H         4.3082704474       -3.4732221829        8.8697260775
  H         3.6291577296       -1.9652139767        9.4685928642
  H         5.4387167013       -2.6716551654       10.9835036034
  H         6.5533989729       -2.8780187236        9.6399648109
  H         7.1013431313       -0.7763075266       10.7689650443
  H         5.4269111956       -0.2172150987       10.6635194302
  H         6.7940901747        0.8784327223        8.9200455440
  H         7.3377881337       -0.6761850007        8.3089392322
  H         6.6955380839        2.4520018024        7.1942801382
  H         4.9328004347        2.2942842817        8.8247963763
  H         3.6659979002        2.4412130686        7.6183073165
  H         5.4805626429        4.6353102479        8.7270887525
  H         3.7258092783        4.5194761419        8.8014477312
  H         4.4888963551        6.2093981407        7.0989860261
  H         3.6001102180        4.9090656285        6.3176565182
  H         6.6542611096        4.9320531186        6.5448314244
  H         5.7901406808        5.4398987628        5.0993236157
  H         6.3927217404        3.0536732013        4.8295667907
  H         4.6456649970        3.1675014450        5.0328313724
  H         7.8302347517        0.6663792848        5.9288942156
  H         7.1470316930       -0.9563841110        5.7893445260
  H         7.7556165035       -0.3379190828        3.4852130923
  H         7.0924204592        1.2863244054        3.6856184164
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  C         6.4568799353        7.8501650829        2.4611283950
  C         5.5082791243        8.1588316059        3.4500649504
  C         5.1325146329        9.4828895846        3.7449211007
  C         5.7075031010       10.4798158156        2.9260931165
  B         4.2347664440        9.8883722491        5.0660561729
  C         3.2282353200        8.6971182633        5.5651458305
  C         2.5588647434        7.8688518605        4.6513434589
  C         1.6498377455        6.8826809487        5.0602637685
  C         1.3033073801        6.7379867493        6.4062310999
  C         1.9111210437        7.6015661542        7.3272891167
  C         2.8736269118        8.5317368509        6.9167700708
  C         1.5918608727        7.5220060904        8.7947412705
  F         0.6169560048        6.6274805458        9.0901908528
  F         2.6873596653        7.1597102938        9.5357280038
  F         1.1791650020        8.7269657269        9.3113575271
  C         1.1522712135        5.9773561861        3.9706696288
  F         2.1793042800        5.2406283621        3.4422103267
  F         0.1924848061        5.0728765289        4.3301287950
  F         0.6511410928        6.7254548584        2.9276693410
  C         5.3501050055       10.2388570684        6.2054194912
  C         5.9339754656        9.1805756252        6.9110850113
  C         6.8666554211        9.3815860871        7.9306403369
  C         7.3127106351       10.6687254812        8.2473370252
  C         6.8062105121       11.7405046908        7.4955440351
  C         5.8266097884       11.5247303290        6.5128944873
  C         7.3293431821       13.1420219222        7.7005819357
  F         7.8468913747       13.3434133951        8.9471959449
  F         6.3553480109       14.0821831570        7.4846853673
  F         8.3377609114       13.4792413060        6.8176569933
  C         7.2756237284        8.1334148525        8.6586006710
  F         8.4340551571        8.2296572394        9.3833604103
  F         7.4264480053        7.0975078086        7.7772475166
  F         6.2868212228        7.7333438586        9.5340460845
  C         3.2083148527       11.1159245283        4.7972128733
  C         2.6097062865       11.2704011497        3.5383652550
  C         1.6666137972       12.2664685103        3.2899350212
  C         1.2931940562       13.1765730895        4.2733436101
  C         1.8503957581       13.0239339760        5.5429503769
  C         2.7651243696       11.9970667160        5.8074007424
  C         1.1083899544       12.3796335609        1.9153540572
  F         1.0166583406       11.1552954395        1.3114370056
  F         1.8932889054       13.1551348993        1.0977259765
  F        -0.1550835639       12.9028226248        1.9035825709
  C         6.8244804936        6.4138007069        2.2180795726
  F         7.6165978346        6.2385152148        1.1134880878
  F         7.4996792510        5.8837439105        3.2983764329
  F         5.7130897195        5.6270319123        2.0532345361
  F         0.7127313437       15.0287916625        6.2353833955
  F         0.8944595734       13.3791272679        7.6973799573
  F         2.6774639441       14.5673723371        7.1188698462
  C         1.5256565164       13.9936500538        6.6387297562
  H         7.8373875662        8.6235527957        0.9892653000
  H         5.0559540967        7.3378891315        4.0046715512
  H         5.4221748867       11.5215796690        3.0643685338
  H         2.7529917803        7.9795558853        3.5846426571
  H         0.6041374544        5.9724121935        6.7303456155
  H         3.3670883287        9.1394216353        7.6737435737
  H         5.6447267802        8.1598701711        6.6709700585
  H         8.0433001810       10.8359820364        9.0321454119
  H         5.4141763173       12.3877859155        5.9923586449
  H         2.8801554648       10.5872798323        2.7340861112
  H         0.5948475838       13.9834052989        4.0587714225
  H         3.1467659883       11.8859651209        6.8219547836
  F         9.9827153234        8.3889270992       18.4863363390
  C        11.2744685906        8.6568711110       18.8892794727
  F        11.9345594517        7.4706260779       18.8449438750
  F        11.2161856287        9.0170360911       20.2270897854
  C        11.8783094174        9.7298095974       18.0291038508
  C        11.4116777947       11.0377852482       18.1914984377
  C        11.8727833986       12.0107061558       17.3040958336
  C        12.7501850728       11.6796870636       16.2628867087
  C        13.2430447953       10.3747526467       16.0841560054
  C        12.7856461485        9.4129184406       17.0099949852
  B        14.1584611887        9.9777559460       14.7765802205
  C        15.1637501973       11.1819000825       14.3106668123
  C        15.7910531368       12.0268138600       15.2409673434
  C        16.7096205723       13.0077797897       14.8458305074
  C        17.0811723689       13.1450174277       13.5033634986
  C        16.4969993053       12.2868093552       12.5643217492
  C        15.5465844880       11.3396937544       12.9650314628
  C        16.8401882497       12.3968867815       11.0995748134
  F        17.8551926132       13.2687587333       10.8542427073
  F        15.7537477011       12.8155506089       10.3457843294
  F        17.2355336806       11.1913659501       10.5625206727
  C        17.2410392592       13.9385862780       15.8996725752
  F        16.2468376959       14.6711177701       16.4970414270
  F        18.1477772663       14.8373792159       15.4061743734
  F        17.8395467287       13.2539964053       16.9370046464
  C        13.0614107826        9.6343800909       13.5919298257
  C        12.4469956008       10.6686083263       12.8526214920
  C        11.4562660501       10.4140999958       11.8942905822
  C        11.0091826981        9.1130828743       11.6638349472
  C        11.6033537344        8.0748391953       12.3832103388
  C        12.6142391660        8.3279209958       13.3159251083
  C        11.0267800060        6.6968203120       12.2303519079
  F        10.4970787985        6.4948194078       10.9940761008
  F        11.9229811566        5.6911225476       12.4653421289
  F        10.0063458679        6.4977240845       13.1312662064
  C        10.8986306879       11.5252241136       11.0533592841
  F         9.7380028683       11.1777303132       10.4110422751
  F        10.6234170615       12.6627128674       11.7449996042
  F        11.7697099270       11.8877758763       10.0437223711
  C        15.2001310731        8.7483965953       15.0620717950
  C        15.8715253497        8.5784429872       16.2943250122
  C        16.8141400810        7.5595409752       16.4695041277
  C        17.1089650747        6.6626351802       15.4390795733
  C        16.4840580231        6.8321688957       14.2115590987
  C        15.5701840818        7.8723739417       14.0228666444
  C        17.4865784894        7.2673782886       17.7742884686
  F        17.6142445928        8.3282978307       18.6227234455
  F        16.7945409376        6.3144656849       18.4809816540
  F        18.7603682041        6.7888057849       17.5423493915
  C        11.3873370288       13.4260059018       17.4287460817
  F        10.7853883271       13.6686153905       18.6256132912
  F        10.4797829235       13.7354381039       16.4308549104
  F        12.4008938160       14.3382176941       17.3059098794
  F        17.6323062182        4.8692581071       13.4884019650
  F        17.3770605812        6.5272319273       12.0284358601
  F        15.6557887907        5.2691069292       12.6112396805
  C        16.7858029154        5.8853089519       13.0942849494
  H        10.6959993705       11.2902718951       18.9698875724
  H        13.0505535294       12.4656345994       15.5709417567
  H        13.1307254545        8.3847405444       16.9263896449
  H        15.5570395372       11.9250415394       16.3003623331
  H        17.7916805681       13.9071765530       13.1990377920
  H        15.0862190234       10.7067668204       12.2082840293
  H        12.7487341688       11.7013215942       13.0295194901
  H        10.2006396849        8.9146121887       10.9675055198
  H        13.0544710869        7.4823139490       13.8392030892
  H        15.6635108692        9.2515922317       17.1246554190
  H        17.8091302347        5.8499634511       15.6005211479
  H        15.1265539677        8.0024736940       13.0357667899
  F         2.7342251548       18.6282221745       20.1314964853
  C         2.7377398247       18.2953078186       18.7921829240
  F         1.4167005423       18.0832059815       18.4782588816
  F         3.3596732290       17.0903651773       18.6358954750
  C         3.3548590900       19.3649623668       17.9413146251
  C         4.1801936423       19.0342473817       16.8591958375
  C         4.6840774777       20.0129801276       15.9783183186
  C         4.2571992057       21.3311855405       16.2163425409
  C         3.4425852273       21.6663028559       17.3053556137
  C         2.9949841214       20.6914837090       18.1941957150
  C         2.9247968689       23.0650406139       17.4356850701
  F         2.2994502297       23.2932594089       18.6249203492
  F         3.9028371961       24.0255125798       17.3050874151
  F         1.9925908844       23.2937042409       16.4315869407
  B         5.6118710743       19.6415410481       14.6731213011
  C         6.6710651040       18.4335841181       14.9678059339
  C         7.2901719602       18.3013631858       16.2229892280
  C         8.2473680709       17.3138085449       16.4690555383
  C         8.6300418550       16.4106740584       15.4776162448
  C         8.0563698092       16.5508896653       14.2141877912
  C         7.1144388109       17.5570389089       13.9610584302
  C         8.4244826156       15.5990714477       13.1146996605
  F         7.3133628892       15.0314920529       12.5398590997
  F         9.2152240418       14.5700829451       13.5621829282
  F         9.1083429002       16.2278409415       12.0999763888
  C         8.7844067493       17.1557514322       17.8531698132
  F         8.9101972365       18.3672621597       18.4843812249
  F        10.0141591152       16.5643687797       17.8930764613
  F         7.9546505286       16.3796497776       18.6295476726
  C         6.6228310638       20.8620147177       14.2705337811
  C         7.1982771446       21.7128455591       15.2322197804
  C         8.1673894509       22.6631890850       14.8928731618
  C         8.6131532517       22.8003659267       13.5746850548
  C         8.0472832039       21.9683821308       12.6083874966
  C         7.0825367595       21.0166051636       12.9527180900
  C         8.4065211815       22.1100424566       11.1597843130
  F         8.8236821470       20.9033327869       10.6308559414
  F         9.3806057168       23.0313142186       10.9272319491
  F         7.3260312477       22.5141472754       10.4102193154
  C         8.6836789162       23.5851882605       15.9576905860
  F         9.6017050925       24.4685651755       15.4768590364
  F         7.6880625420       24.3572232030       16.5043527898
  F         9.2713292204       22.8895839689       17.0044982914
  C         4.5531437775       19.2752280388       13.4756124192
  C         4.0617196317       17.9718498975       13.2689811708
  C         3.0963394502       17.6888456835       12.2905465603
  C         2.5840785072       18.7020064114       11.4794668929
  C         3.0336531731       20.0106882731       11.6892116943
  C         3.9953038893       20.2860323029       12.6661799000
  C         2.4053047194       21.1091376304       10.8823487549
  F         2.3724896687       20.7824595265        9.5384125979
  F         1.0948870254       21.3313911300       11.2591623244
  F         3.0381267236       22.3171039816       10.9975709107
  C         2.5121752742       16.3071803012       12.1863207432
  F         1.9324079149       16.0513769931       10.9836893014
  F         3.4288375839       15.3119942118       12.3966963897
  F         1.5234230987       16.1215865790       13.1298953137
  H         4.4223459063       17.9869671341       16.6934037346
  H         4.5609562380       22.1218150884       15.5303822314
  H         2.3611425954       20.9575961135       19.0361583521
  H         7.0252651864       18.9849823344       17.0282927331
  H         9.3434096532       15.6199083281       15.6883757298
  H         6.7140768061       17.6538728345       12.9527461123
  H         6.8840334668       21.6398435555       16.2728041926
  H         9.3619667150       23.5396976864       13.3103856478
  H         6.6785558421       20.3800829151       12.1674293712
  H         4.4363573984       17.1532037742       13.8823506495
  H         1.8507018006       18.4735570843       10.7090684828
  H         4.3238876443       21.3150675177       12.7955904474
  F        15.6186175284        1.2748815643       -0.2919942285
  C        15.6605187461        1.6652686800        1.0286102452
  F        16.9904760891        1.8955975888        1.3191300294
  F        15.0494780745        2.8826199560        1.1016751455
  C        15.0694939980        0.6082385522        1.9270416608
  C        14.2575070451        0.9262019720        3.0236408948
  C        13.7603650189       -0.0686982800        3.8947423240
  C        14.2077350580       -1.3798268487        3.6645676653
  C        15.0022109206       -1.7072565349        2.5620027125
  C        15.4178510649       -0.7236441974        1.6636514583
  C        15.4669349266       -3.1205363569        2.3855207023
  F        16.0479806488       -3.3178111242        1.1728232762
  F        14.4472960781       -4.0439344695        2.4971716834
  F        16.4086947263       -3.4517067489        3.3564695142
  B        12.8044754099        0.2558822472        5.1833748861
  C        11.7303363298        1.4560648503        4.8720153448
  C        11.1202748821        1.5580522546        3.6050812328
  C        10.1463606605        2.5253895640        3.3283435303
  C         9.7275594309        3.4251682530        4.3135726188
  C        10.3075654752        3.3322988199        5.5758952185
  C        11.2831980395        2.3615310634        5.8514992901
  C         9.9359860708        4.3026218222        6.6583661452
  F        11.0518386336        4.8845553405        7.1933915638
  F         9.1276682898        5.3294709353        6.2341681560
  F         9.3007921144        3.6784350383        7.7028715240
  C         9.6269487949        2.7098981410        1.9328107167
  F         9.4974245305        1.5306703030        1.2486675083
  F         8.4063797517        3.3383416733        1.9061280555
  F        10.4680284870        3.4693311105        1.1695772888
  C        11.8227178407       -1.0012130723        5.5683810653
  C        11.3013453392       -1.8938183614        4.6127107506
  C        10.3137562011       -2.8315132538        4.9357513676
  C         9.8270781355       -2.9501470170        6.2408716218
  C        10.3464428250       -2.0860946958        7.2029072613
  C        11.3133030345       -1.1302786378        6.8712040904
  C         9.9447334543       -2.1922549737        8.6420785968
  F         9.5862638002       -0.9755923756        9.1678890309
  F         8.9060970524       -3.0510764454        8.8714010622
  F        11.0137474293       -2.6155395354        9.3951373773
  C         9.7569984871       -3.7047747365        3.8519048648
  F         8.8175858072       -4.5688255827        4.3252727031
  F        10.7208586472       -4.4552927898        3.2266261534
  F         9.1432973563       -2.9683750930        2.8587534020
  C        13.8628272674        0.6059571247        6.3784761469
  C        14.3531078242        1.9051207016        6.5931991351
  C        15.3203353435        2.1885064834        7.5675328914
  C        15.8406791473        1.1771097590        8.3731515741
  C        15.4097970506       -0.1315038481        8.1301485213
  C        14.4497258936       -0.4120605910        7.1553917023
  C        16.0244959538       -1.2311152138        8.9333607204
  F        16.0430552014       -0.8786587096       10.2690473678
  F        17.3292445062       -1.4920560290        8.5819987330
  F        15.3728166235       -2.4183480261        8.8065033027
  C        15.8736565456        3.5781547195        7.6534612261
  F        16.4729590458        3.8601616627        8.8542702689
  F        14.9152194227        4.5294736130        7.4138319990
  F        16.8245224372        3.7861838909        6.6750016289
  H        14.0122756560        1.9717888197        3.2071389965
  H        13.9284103678       -2.1690384191        4.3620662802
  H        16.0120529680       -0.9885307126        0.7936301556
  H        11.4165577262        0.8646718121        2.8187652771
  H         8.9823469364        4.1827052449        4.0943518146
  H        11.7077923185        2.3244391054        6.8548898581
  H        11.6664823012       -1.8639290891        3.5868570503
  H         9.0861746243       -3.6992863176        6.5003892681
  H        11.6749329628       -0.4674217102        7.6559545676
  H        13.9767700622        2.7252080647        5.9838036399
  H        16.5579318768        1.3983223360        9.1599711623
  H        14.1570703778       -1.4485483217        7.0006428232
  H        10.7663882979       11.8035518271        4.7957836033
  H        11.6797077776       10.1185213011        3.2076239843
     646
 i =       67, E =         0.0139493849
 Rh         3.6251117954        0.2312792357        4.8172461682
  P         5.3845102562        0.6379364500        6.2766436042
  C         5.2454149972       -0.2732347668        7.8783360965
  C         4.8104495080       -1.7347703615        7.6771876834
  C         4.5348795258       -2.4092992362        9.0289670069
  C         5.7165519886       -2.2678949834        9.9996644299
  C         6.1946058718       -0.8155411288       10.1450320181
  C         6.4855479046       -0.1684694444        8.7810899995
  C         5.6734964294        2.4010773894        6.7859229639
  C         4.6665020768        2.8058769501        7.8885134251
  C         4.5956308793        4.3189830343        8.1583497908
  C         4.5272148761        5.1383021805        6.8671375749
  C         5.7217996778        4.7883630201        5.9775168399
  C         5.6080090094        3.3216203463        5.5513874149
  C         6.9947465518        0.0931683814        5.5024980758
  C         6.9550444698        0.2334853617        3.9741940346
  P         5.2991643234       -0.2376976951        3.2742131961
  C         5.4353302947       -2.0264228503        2.7620185708
  C         4.3156024111       -2.4169230999        1.7782163498
  C         4.3762369402       -3.9067796104        1.4290237920
  C         4.2247229679       -4.7583617509        2.6915653299
  C         5.3409275672       -4.4307884425        3.6888324475
  C         5.3893939726       -2.9272836282        4.0183634954
  C         5.1786370174        0.7192696965        1.6952726945
  C         4.9101948045        2.2217238790        1.9154807971
  C         4.4341821225        2.8331151206        0.5882428066
  C         5.4714856450        2.6270167832       -0.5275264405
  C         5.9167255460        1.1594049604       -0.6571327472
  C         6.3425824863        0.5607942066        0.6976836056
  C         1.8704008565        0.3095620862        3.4630851714
  C         1.8975862463       -0.9466456910        4.0742046940
  C         1.0542327323       -0.8390506656        5.3556635479
  C         1.9104082446        0.0891894699        6.2455196941
  C         1.8766311688        1.3461619715        5.6398557385
  C         1.0033979086        1.2039656871        4.3754308640
  C        -0.0318151262        0.1673789790        4.8905329993
  H         4.4162694679        0.2473909376        8.3856155904
  H         5.5900098613       -2.2890109801        7.1336528316
  H         3.9112776444       -1.7618764841        7.0417545871
  H         4.3059545479       -3.4737004007        8.8708552480
  H         3.6312345114       -1.9634464947        9.4694509351
  H         5.4389594725       -2.6732204374       10.9837199202
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  H        12.5368993865        7.7737513657        9.4507034771
  H        14.3260915185        6.9236287113       10.9885742250
  H        15.3937353981        6.6635132488        9.6147496203
  H        15.9552515860        8.8335392845       10.7272274286
  H        14.2712875711        9.3563297205       10.5643335099
  H        16.2455936897        8.9063828940        8.2589636626
  H        15.6198336967       10.4421195191        8.8444529547
  H        10.1711916102       10.1644910231        2.4650660172
  H        11.1953269305        9.1978489201        7.1847690226
  H         9.1296614827       10.5799745379        6.5126456731
  H         8.0632389699        9.4517048090        4.2911790756
  H         8.4805967122        8.1854796630        5.4868964588
  H         9.9788479728        7.8255279051        3.2913028028
  H         9.1463569159       11.5341996580        4.1450150656
  H        11.5731838724        7.3120814398        5.3003208071
  F         8.5066955279       11.5995178999        1.4655717366
  C         7.2337449002       11.2417763532        1.0686641068
  F         6.4858511781       12.3759672195        1.0310226996
  F         7.3496494308       10.8240239342       -0.2331943278
  C         6.6436970297       10.1725955840        1.9353565440
  C         7.0623310715        8.8557748792        1.7160474161
  C         6.4561124632        7.8498262810        2.4612988167
  C         5.5089543530        8.1582421271        3.4518424154
  C         5.1329046064        9.4823038554        3.7461939691
  C         5.7081923905       10.4794793043        2.9277525981
  B         4.2348262053        9.8889032125        5.0666010226
  C         3.2277270133        8.6977154897        5.5659139928
  C         2.5601409294        7.8683457837        4.6519114467
  C         1.6500496566        6.8825282379        5.0602058958
  C         1.3024470846        6.7379803645        6.4058087090
  C         1.9097055166        7.6015220135        7.3272835848
  C         2.8715426628        8.5327534201        6.9169954916
  C         1.5912675275        7.5215649317        8.7948279887
  F         0.6165880242        6.6270104635        9.0901370612
  F         2.6869826030        7.1597707720        9.5354356212
  F         1.1790140316        8.7269554723        9.3113785585
  C         1.1524845819        5.9772715216        3.9704883190
  F         2.1792979120        5.2406794409        3.4420895393
  F         0.1925481609        5.0730550092        4.3300252367
  F         0.6512126794        6.7253872605        2.9276910847
  C         5.3496470886       10.2386427128        6.2052089995
  C         5.9326751301        9.1809863352        6.9115735589
  C         6.8658205568        9.3808072822        7.9304775340
  C         7.3123633943       10.6681767657        8.2470912157
  C         6.8068962410       11.7409915143        7.4953579099
  C         5.8280697341       11.5250505633        6.5114678489
  C         7.3299389613       13.1430035785        7.6999184447
  F         7.8464782581       13.3440867657        8.9471143292
  F         6.3531368423       14.0812308464        7.4862088468
  F         8.3399115629       13.4780219179        6.8178655637
  C         7.2755181648        8.1336793759        8.6584838921
  F         8.4339382498        8.2297263896        9.3832325449
  F         7.4264062758        7.0977401713        7.7770777324
  F         6.2866687885        7.7334319328        9.5341343071
  C         3.2086737318       11.1170398568        4.7964364909
  C         2.6115429302       11.2701951075        3.5380488467
  C         1.6665395059       12.2662821260        3.2880532356
  C         1.2914563490       13.1781348820        4.2740616567
  C         1.8502588017       13.0249517456        5.5428247264
  C         2.7673405326       11.9971151486        5.8058831067
  C         1.1083794666       12.3798326580        1.9159436177
  F         1.0164925221       11.1556141932        1.3112463524
  F         1.8928166102       13.1548666764        1.0976534439
  F        -0.1546739821       12.9025649906        1.9030132726
  C         6.8241847698        6.4137511094        2.2181139664
  F         7.6164956507        6.2384904311        1.1135719860
  F         7.4996183918        5.8838075956        3.2982846170
  F         5.7131526481        5.6267607616        2.0531472129
  F         0.7128481972       15.0284739611        6.2352814511
  F         0.8942465046       13.3787743672        7.6966971103
  F         2.6774907461       14.5675797096        7.1184364980
  C         1.5258715321       13.9938934067        6.6389711244
  H         7.8310338367        8.6225685318        0.9844823606
  H         5.0584038637        7.3372526529        4.0080045933
  H         5.4232597774       11.5213080887        3.0678317477
  H         2.7566141947        7.9778297167        3.5853977507
  H         0.6029559589        5.9725344800        6.7287982805
  H         3.3631285417        9.1413412081        7.6748120202
  H         5.6420297966        8.1611558981        6.6717880231
  H         8.0432933567       10.8353989393        9.0322849043
  H         5.4178393299       12.3884641244        5.9891823342
  H         2.8813948499       10.5889229143        2.7332670082
  H         0.5942769154       13.9812498958        4.0594641097
  H         3.1500002420       11.8878378064        6.8210608412
  F         9.9828916487        8.3890578348       18.4866278370
  C        11.2748404073        8.6568647755       18.8888918361
  F        11.9344947861        7.4704427101       18.8447722957
  F        11.2157582654        9.0170321990       20.2269125998
  C        11.8789416610        9.7292344183       18.0284298793
  C        11.4131585522       11.0379304043       18.1917009552
  C        11.8739328014       12.0107379477       17.3041217557
  C        12.7517933186       11.6796452058       16.2631092378
  C        13.2438647435       10.3744489090       16.0837151167
  C        12.7852215834        9.4121064309       17.0086026961
  B        14.1589215345        9.9780164692       14.7759431846
  C        15.1637442468       11.1822881242       14.3094364844
  C        15.7897473782       12.0288928743       15.2394480869
  C        16.7092794702       13.0088867088       14.8450216411
  C        17.0821250385       13.1458519049       13.5027692420
  C        16.4978966315       12.2870531831       12.5640384095
  C        15.5481357782       11.3393019305       12.9644525031
  C        16.8403714662       12.3970930174       11.0997183509
  F        17.8554758175       13.2686954301       10.8535293835
  F        15.7532369467       12.8161116482       10.3454767493
  F        17.2350772255       11.1916383456       10.5624248095
  C        17.2408795804       13.9389413986       15.8994693526
  F        16.2467364078       14.6712089919       16.4970572952
  F        18.1479096126       14.8374385848       15.4061070990
  F        17.8394769743       13.2540277679       16.9366652315
  C        13.0602984349        9.6346572547       13.5916707604
  C        12.4468867144       10.6689160421       12.8523772846
  C        11.4567578245       10.4134192888       11.8939547329
  C        11.0108194654        9.1128555856       11.6623267467
  C        11.6036132781        8.0756911506       12.3836575677
  C        12.6127422752        8.3287569987       13.3182788343
  C        11.0267824571        6.6968986662       12.2304895016
  F        10.4967100847        6.4949176786       10.9936180029
  F        11.9235320789        5.6905510186       12.4654864281
  F        10.0059009101        6.4976121227       13.1316015963
  C        10.8976726489       11.5257045641       11.0533511816
  F         9.7384132533       11.1776836237       10.4109188688
  F        10.6250043194       12.6615878624       11.7436320518
  F        11.7692034594       11.8897961865       10.0446659539
  C        15.2000772661        8.7482112951       15.0614542978
  C        15.8705680253        8.5772857032       16.2934017598
  C        16.8134882868        7.5591786956       16.4687574149
  C        17.1098191257        6.6616432057       15.4394838224
  C        16.4850526814        6.8310210840       14.2112415465
  C        15.5698993610        7.8721327843       14.0219266170
  C        17.4865690857        7.2669086511       17.7744186367
  F        17.6140220552        8.3285486242       18.6225065103
  F        16.7940332684        6.3142395112       18.4809802418
  F        18.7606471837        6.7889619875       17.5421024649
  C        11.3877744695       13.4257280068       17.4286394884
  F        10.7854361790       13.6687949003       18.6255875999
  F        10.4799099186       13.7354842974       16.4309222001
  F        12.4009476620       14.3384315525       17.3058467476
  F        17.6338714075        4.8716995053       13.4892400005
  F        17.3779562952        6.5264524637       12.0301962920
  F        15.6555827045        5.2708531929       12.6109969374
  C        16.7851147878        5.8838469719       13.0924857951
  H        10.6988028937       11.2903233122       18.9706178915
  H        13.0533782870       12.4656089790       15.5715320749
  H        13.1285515714        8.3835483296       16.9233558916
  H        15.5534282533       11.9284625684       16.2984391532
  H        17.7922508472       13.9082989969       13.1986684206
  H        15.0894635176       10.7063438334       12.2066619533
  H        12.7482239855       11.7020128805       13.0288104894
  H        10.2043359909        8.9134737744       10.9635907868
  H        13.0505492372        7.4840782628       13.8444417397
  H        15.6611936364        9.2493731571       17.1240440082
  H        17.8090642489        5.8499646716       15.5997665997
  H        15.1268004502        8.0009185222       13.0341968718
  F         2.7328898014       18.6257513919       20.1273078885
  C         2.7384357827       18.2982542638       18.7906276934
  F         1.4194322563       18.0780947807       18.4818314579
  F         3.3548705729       17.0897472920       18.6364683532
  C         3.3558510326       19.3648661343       17.9381709439
  C         4.1814479693       19.0331389106       16.8583129865
  C         4.6842491936       20.0114331610       15.9794746994
  C         4.2577084111       21.3310056482       16.2172187095
  C         3.4420292183       21.6648233020       17.3064943097
  C         2.9942963756       20.6892232809       18.1933195994
  C         2.9247727122       23.0651147934       17.4356943843
  F         2.2996634706       23.2936730194       18.6242779292
  F         3.9023399163       24.0259774850       17.3048678632
  F         1.9928038455       23.2941298341       16.4318422659
  B         5.6121530549       19.6417015359       14.6726524880
  C         6.6697228220       18.4326014761       14.9673518274
  C         7.2888025079       18.3000240170       16.2227289578
  C         8.2469470291       17.3131498485       16.4694399781
  C         8.6304031210       16.4102824555       15.4771416897
  C         8.0558801742       16.5500462315       14.2141784091
  C         7.1128642813       17.5552260640       13.9610125684
  C         8.4243855073       15.5988513165       13.1147765866
  F         7.3134230215       15.0314908742       12.5396131303
  F         9.2152504100       14.5699904939       13.5621526012
  F         9.1082066135       16.2278133823       12.0999895032
  C         8.7842013978       17.1557543882       17.8528206261
  F         8.9106858860       18.3672018094       18.4845523429
  F        10.0140319279       16.5640185123       17.8932851490
  F         7.9543620954       16.3797542025       18.6293285717
  C         6.6231885094       20.8620268619       14.2700394884
  C         7.1985094615       21.7129626687       15.2316985752
  C         8.1672254704       22.6639841508       14.8923217663
  C         8.6121854728       22.8016765760       13.5740245759
  C         8.0467758072       21.9689934951       12.6079683623
  C         7.0824638058       21.0169292411       12.9520919570
  C         8.4062317729       22.1101020799       11.1597144731
  F         8.8237611905       20.9035375479       10.6308413735
  F         9.3806885284       23.0314092984       10.9270798958
  F         7.3261350290       22.5142356846       10.4099582741
  C         8.6834653329       23.5851353274       15.9574156257
  F         9.6018616516       24.4687006873       15.4767510299
  F         7.6880186698       24.3574578368       16.5043019040
  F         9.2714463574       22.8896313675       17.0042972865
  C         4.5523802612       19.2762783479       13.4758339870
  C         4.0607035047       17.9728597099       13.2687188344
  C         3.0954787112       17.6898819166       12.2908785655
  C         2.5820965152       18.7029787217       11.4800408501
  C         3.0330013180       20.0111782123       11.6904972798
  C         3.9940427833       20.2871235188       12.6668267707
  C         2.4045354884       21.1096681810       10.8822256374
  F         2.3722816436       20.7827453282        9.5390737585
  F         1.0948839461       21.3316202733       11.2592026904
  F         3.0380118616       22.3174076484       10.9972748257
  C         2.5120100212       16.3073779343       12.1863698703
  F         1.9324691557       16.0514297601       10.9838080933
  F         3.4287102430       15.3122457891       12.3965475543
  F         1.5233229781       16.1216340916       13.1297865553
  H         4.4242593438       17.9884412778       16.6926266811
  H         4.5627328706       22.1235055876       15.5305827637
  H         2.3596239560       20.9552945132       19.0343660228
  H         7.0226245895       18.9828430707       17.0283452528
  H         9.3442149241       15.6204872880       15.6878065307
  H         6.7113726538       17.6502955981       12.9530296104
  H         6.8846747398       21.6400055324       16.2723810831
  H         9.3599358112       23.5419295251       13.3090284632
  H         6.6784300448       20.3806198407       12.1668835078
  H         4.4358090175       17.1541131131       13.8824506545
  H         1.8482788805       18.4757314266       10.7112038204
  H         4.3221517402       21.3165107675       12.7969531919
  F        15.6172887271        1.2754851553       -0.2917406809
  C        15.6605456605        1.6655095940        1.0289913676
  F        16.9910442413        1.8956861408        1.3183932029
  F        15.0493532694        2.8826475173        1.1009510681
  C        15.0692816096        0.6086665092        1.9270928857
  C        14.2560130133        0.9263685711        3.0227442491
  C        13.7594223142       -0.0691703773        3.8936129755
  C        14.2067474414       -1.3802031008        3.6631905464
  C        15.0026048273       -1.7067006597        2.5614410583
  C        15.4195768626       -0.7227426330        1.6644798278
  C        15.4671071617       -3.1203030558        2.3850608222
  F        16.0479897893       -3.3178821721        1.1728236395
  F        14.4473701933       -4.0438693290        2.4972358677
  F        16.4088079385       -3.4518601313        3.3564286933
  B        12.8037404772        0.2566367274        5.1823473180
  C        11.7307957485        1.4572682843        4.8707224783
  C        11.1200963932        1.5600338894        3.6036386381
  C        10.1460034681        2.5272450260        3.3276107136
  C         9.7279863200        3.4268043187        4.3138407162
  C        10.3081165663        3.3333356116        5.5758475243
  C        11.2836634892        2.3622881931        5.8505418081
  C         9.9363200199        4.3029936559        6.6583851950
  F        11.0522301577        4.8845609424        7.1933088601
  F         9.1277803600        5.3295095533        6.2342509925
  F         9.3009629727        3.6784606431        7.7023720148
  C         9.6272584648        2.7108089236        1.9318682494
  F         9.4961079677        1.5293459496        1.2485416502
  F         8.4067351642        3.3400851150        1.9061065966
  F        10.4676809884        3.4705067359        1.1711141314
  C        11.8214583486       -0.9992070277        5.5679707299
  C        11.2990731080       -1.8914047942        4.6121863690
  C        10.3125951112       -2.8301630835        4.9355262398
  C         9.8266480529       -2.9486514798        6.2407685499
  C        10.3463453290       -2.0847756181        7.2030903537
  C        11.3130895580       -1.1289492110        6.8713224176
  C         9.9448230590       -2.1920098693        8.6417864753
  F         9.5860120932       -0.9753669231        9.1680314100
  F         8.9061717230       -3.0509210169        8.8714773580
  F        11.0137989798       -2.6154822385        9.3951358461
  C         9.7568795156       -3.7043771695        3.8519090554
  F         8.8176146116       -4.5686954015        4.3255656474
  F        10.7206307667       -4.4552989601        3.2263552949
  F         9.1429801069       -2.9681736517        2.8587049917
  C        13.8623683082        0.6068134539        6.3776224231
  C        14.3525927484        1.9060082626        6.5922915252
  C        15.3207092389        2.1884688798        7.5665040196
  C        15.8418778126        1.1770081734        8.3705482816
  C        15.4097538059       -0.1313703206        8.1288150074
  C        14.4488297813       -0.4111253133        7.1551227639
  C        16.0244854112       -1.2311461359        8.9329157243
  F        16.0428780694       -0.8785259179       10.2686992967
  F        17.3292371502       -1.4921207948        8.5820428998
  F        15.3728169110       -2.4181314308        8.8064531759
  C        15.8738048592        3.5784245733        7.6529299932
  F        16.4728687225        3.8600803058        8.8538872499
  F        14.9152657025        4.5294118568        7.4138051228
  F        16.8245704932        3.7861454582        6.6749389611
  H        14.0087897943        1.9710994767        3.2060671880
  H        13.9266516885       -2.1701388231        4.3593926832
  H        16.0163615065       -0.9862129922        0.7955098509
  H        11.4158498544        0.8675403757        2.8160940832
  H         8.9826972066        4.1854233824        4.0947367114
  H        11.7082911096        2.3242574715        6.8530944460
  H        11.6628889190       -1.8597365125        3.5857111057
  H         9.0853016664       -3.6973720404        6.5009465274
  H        11.6755493584       -0.4665647749        7.6557720140
  H        13.9760945229        2.7263119553        5.9838990751
  H        16.5613984414        1.3981175504        9.1559509350
  H        14.1543239478       -1.4475853013        7.0010937802
  H        10.7701471100       11.8008180827        4.7959854120
  H        11.6748680675       10.1136697654        3.2015739298
     646
 i =       68, E =         0.0010851201
 Rh         3.6255776712        0.2314667805        4.8171430850
  P         5.3845095838        0.6379688809        6.2766781708
  C         5.2441712786       -0.2736776587        7.8783753113
  C         4.8107430421       -1.7359321743        7.6760345332
  C         4.5345784143       -2.4106708083        9.0294398021
  C         5.7171445622       -2.2693555272        9.9999666913
  C         6.1944623306       -0.8164858057       10.1453753967
  C         6.4853535964       -0.1690736382        8.7802542753
  C         5.6739002292        2.4012972752        6.7866169474
  C         4.6658370205        2.8059038139        7.8884235316
  C         4.5957644373        4.3194527433        8.1589118849
  C         4.5271515978        5.1391832045        6.8674231210
  C         5.7214466663        4.7891281922        5.9769534032
  C         5.6087051439        3.3214223275        5.5511644772
  C         6.9951724123        0.0931864985        5.5033297892
  C         6.9554075956        0.2339300754        3.9746200857
  P         5.2994515690       -0.2377490016        3.2747470287
  C         5.4355347826       -2.0264376160        2.7634665975
  C         4.3154587684       -2.4157316078        1.7782595897
  C         4.3756061579       -3.9070559811        1.4296877576
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  F         7.3495143261       10.8238746010       -0.2336320110
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  C         7.0605212957        8.8557057305        1.7150667132
  C         6.4555281062        7.8495697570        2.4615423359
  C         5.5094441315        8.1579516001        3.4529057571
  C         5.1332366141        9.4821011939        3.7469464640
  C         5.7085627954       10.4793264635        2.9286640914
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  C         2.5609754097        7.8681193336        4.6521216950
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  C         1.9092056813        7.6017410559        7.3269084102
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  C         1.5906487227        7.5216511261        8.7943335320
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  F         2.6872445047        7.1594694168        9.5359593977
  F         1.1789697000        8.7269177218        9.3116225898
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  F         0.1929743218        5.0732894537        4.3299753197
  F         0.6512040264        6.7255715672        2.9276234163
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  C         5.9319783329        9.1819419557        6.9120127186
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  F         7.4264088103        7.0975940854        7.7771475318
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  C         2.6112548667       11.2711897931        3.5368637077
  C         1.6684951673       12.2648203599        3.2898545395
  C         1.2910303220       13.1786582479        4.2756594103
  C         1.8501173136       13.0243677776        5.5399107147
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  F         1.8944469078       13.1562994507        1.0966324736
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  F         7.4994714056        5.8839660077        3.2982073206
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  F        11.2164058682        9.0169660299       20.2261844356
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  C        11.8745064245       12.0102954837       17.3044099359
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  C        13.2441498733       10.3742225276       16.0836801246
  C        12.7850000197        9.4118513584       17.0076300074
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  C        15.7889334636       12.0300571585       15.2387987120
  C        16.7090335066       13.0093764938       14.8445503385
  C        17.0825614981       13.1463559152       13.5026223981
  C        16.4982715451       12.2873789246       12.5640325766
  C        15.5490499922       11.3391895366       12.9640560854
  C        16.8386108538       12.3970181749       11.0988043113
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  F        15.7538197774       12.8158995692       10.3463051130
  F        17.2354486036       11.1910377568       10.5624994256
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  F        18.1478123389       14.8375717532       15.4061694666
  F        17.8395598544       13.2538935090       16.9368068285
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  C        12.4476998935       10.6693807093       12.8530655932
  C        11.4564671931       10.4141174148       11.8932838363
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  C        11.6024263518        8.0728766717       12.3833880853
  C        12.6104355816        8.3292427205       13.3181788119
  C        11.0279836496        6.6994916334       12.2311672239
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  F        11.9227968645        5.6906875051       12.4650158053
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  F        10.6233528598       12.6621289019       11.7452574309
  F        11.7636780471       11.8840974529       10.0526273715
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  C        15.8708356081        8.5757319441       16.2927660466
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  C        17.1099325988        6.6617439086       15.4395456914
  C        16.4838340977        6.8325881722       14.2126308727
  C        15.5683289267        7.8735606539       14.0209038014
  C        17.4862299360        7.2660700487       17.7719038408
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  F        16.7939167760        6.3138652053       18.4818847676
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  F        14.4477009528       -4.0430865388        2.4969355533
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  C        11.1196698618        1.5614752897        3.6025287512
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  C        14.4484094302       -0.4103901721        7.1550160559
  C        16.0244779586       -1.2308887658        8.9326319704
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  H        16.5631800511        1.3978952248        9.1532153996
  H        14.1527119502       -1.4471130593        7.0012963872
  H        10.7725845814       11.7993481357        4.7960727202
  H        11.6718285644       10.1110740955        3.1984999493
     646
 i =       69, E =         0.0133453094
 Rh         3.6262767598        0.2318021559        4.8169779021
  P         5.3845434431        0.6380809973        6.2769042615
  C         5.2429191117       -0.2747798379        7.8779744914
  C         4.8115371887       -1.7376222303        7.6757950635
  C         4.5349304676       -2.4115209938        9.0296664521
  C         5.7177963652       -2.2712597423        9.9999612492
  C         6.1942424399       -0.8181126500       10.1449365183
  C         6.4838651944       -0.1700385370        8.7798665728
  C         5.6739737887        2.4015924339        6.7872817210
  C         4.6650251747        2.8064513643        7.8880813553
  C         4.5964220424        4.3199015593        8.1592043630
  C         4.5275364345        5.1402795390        6.8681581214
  C         5.7204341571        4.7898255168        5.9759971760
  C         5.6096287636        3.3215634123        5.5516542800
  C         6.9953602142        0.0930247520        5.5042479220
  C         6.9563465017        0.2335215800        3.9753506044
  P         5.2998611384       -0.2377185946        3.2756588472
  C         5.4358432994       -2.0264602135        2.7649499357
  C         4.3170500929       -2.4147700860        1.7776756331
  C         4.3755724678       -3.9065891769        1.4309342951
  C         4.2262871030       -4.7575951820        2.6931727191
  C         5.3427038480       -4.4309428386        3.6903043070
  C         5.3899919811       -2.9274947871        4.0200961930
  C         5.1750954405        0.7183825623        1.6964181330
  C         4.9066605915        2.2204444688        1.9160587148
  C         4.4338058086        2.8340596203        0.5880349627
  C         5.4733915347        2.6279336570       -0.5268056464
  C         5.9160422952        1.1593652214       -0.6566696572
  C         6.3379639500        0.5584641972        0.6983299078
  C         1.8706945587        0.3099486170        3.4638253846
  C         1.8980049105       -0.9459481147        4.0758128864
  C         1.0560902563       -0.8369641067        5.3578188425
  C         1.9125837090        0.0906168063        6.2460603489
  C         1.8797563213        1.3477421732        5.6403893240
  C         1.0052452696        1.2057302273        4.3766046292
  C        -0.0318447235        0.1687744913        4.8913029453
  H         4.4128501273        0.2443928450        8.3840424366
  H         5.5943677721       -2.2900944981        7.1362143235
  H         3.9144516296       -1.7690272584        7.0398813740
  H         4.3028214314       -3.4739804303        8.8725232137
  H         3.6343256588       -1.9612342940        9.4703472526
  H         5.4395037488       -2.6755188918       10.9835420616
  H         6.5550401575       -2.8848571425        9.6417001015
  H         7.1005597117       -0.7765809330       10.7668489393
  H         5.4237185679       -0.2251213819       10.6621285484
  H         6.7905599140        0.8749107575        8.9190883061
  H         7.3315238616       -0.6791747389        8.3047610572
  H         6.6948175098        2.4531481050        7.1986624649
  H         4.9250602759        2.2933629984        8.8237776054
  H         3.6638687990        2.4467519421        7.6126167587
  H         5.4836157194        4.6340525642        8.7272922336
  H         3.7289211656        4.5218674929        8.8034872192
  H         4.4951366035        6.2121008817        7.1030902328
  H         3.5984045381        4.9171406186        6.3226535429
  H         6.6539538945        4.9404837414        6.5363066410
  H         5.7796033042        5.4384808070        5.0937736265
  H         6.3995122590        3.0561011214        4.8348740073
  H         4.6513631025        3.1636546993        5.0298634180
  H         7.8309441386        0.6642413453        5.9329876681
  H         7.1457530498       -0.9571451012        5.7917688327
  H         7.7578238931       -0.3419213159        3.4896642203
  H         7.0990469273        1.2844023066        3.6871471945
  H         6.4090443717       -2.1479924089        2.2605102386
  H         4.3572489472       -1.8080008433        0.8645924290
  H         3.3408636342       -2.2121303979        2.2339596566
  H         5.3318649434       -4.1353795070        0.9377771017
  H         3.5839523874       -4.1401287536        0.7089420388
  H         4.2267789055       -5.8264430981        2.4383958167
  H         3.2446353289       -4.5594060747        3.1493655447
  H         5.2034162135       -4.9901804886        4.6276869902
  H         6.3086752579       -4.7513599114        3.2736048388
  H         6.2544563334       -2.7218442582        4.6677432581
  H         4.4948976324       -2.6534153001        4.6021272377
  H         4.2718924428        0.2948493508        1.2272928943
  H         5.8336708309        2.7174088777        2.2409096270
  H         4.1663236994        2.3770621560        2.7145014402
  H         4.2189199997        3.9039984233        0.7138365403
  H         3.4830332912        2.3581935783        0.3053161145
  H         6.3537316040        3.2519140055       -0.3162846376
  H         5.0667641265        2.9837116886       -1.4846428184
  H         6.7443450096        1.0792489366       -1.3759369726
  H         5.0863030535        0.5584070036       -1.0618464958
  H         7.2151414746        1.0967545802        1.0778589644
  H         6.6425265790       -0.4883881008        0.5740734920
  H         2.1285591982        0.5438091416        2.4346635894
  H         2.1800977578       -1.8934589134        3.6281906281
  H         0.7412236048       -1.7836716036        5.8038552854
  H         2.1735850526       -0.1276332417        7.2779264365
  H         2.1168917226        2.3001190957        6.1056615108
  H         0.6393231363        2.1350922517        3.9334825991
  H        -0.6339902271        0.5509948441        5.7213099788
  H        -0.6786281931       -0.2286482580        4.1039285697
 Rh        14.7194141194       19.6381325291       14.9616597129
  P        12.9357827306       19.1995558938       13.5202843654
  C        13.0997851758       20.1880553519       11.9629904856
  C        13.4978125692       21.6535481539       12.2145125983
  C        13.8425339421       22.3420269140       10.8834680179
  C        12.6894931342       22.2420193923        9.8747855446
  C        12.2675729603       20.7811883870        9.6592700669
  C        11.9201597545       20.0796921507       10.9852374818
  C        12.6349469044       17.4631106771       12.9153957560
  C        13.6469850592       17.0384212254       11.8285859022
  C        13.5769941739       15.5304469391       11.5379045886
  C        13.7896617554       14.7270218749       12.8238511405
  C        12.6792219390       15.0482899217       13.8283418705
  C        12.6576248333       16.5474404526       14.1580519498
  C        11.3156420581       19.6536095039       14.3546924250
  C        11.4209755639       19.6859297204       15.8925881458
  P        13.1026358917       20.1778176690       16.5268591786
  C        12.9583182302       21.9806444710       16.9688693404
  C        13.9867631656       22.4627291768       18.0177218910
  C        14.0127126364       23.9999996144       18.1563827153
  C        14.0746123236       24.7383750953       16.8140787732
  C        12.9321834581       24.2822232598       15.9057135272
  C        13.0803825199       22.7794344525       15.6555998932
  C        13.3166259981       19.2283592071       18.1058736404
  C        13.5665996349       17.7371473722       17.8068390683
  C        14.0388347778       17.0188269757       19.0772841322
  C        13.0158431278       17.1619950778       20.2151706534
  C        12.6116371312       18.6285419988       20.4575037529
  C        12.2107043270       19.3768413743       19.1665198715
  C        16.4277326355       19.6473509567       16.3514679398
  C        16.4563634173       20.8346920290       15.6114598371
  C        17.3350013254       20.5622027065       14.3757024797
  C        16.4696417459       19.5741309488       13.5608968189
  C        16.4379013076       18.3888748134       14.2968810141
  C        17.2844747746       18.6326841693       15.5645915622
  C        18.3737200835       19.5803423061       14.9871019832
  H        13.9699387905       19.7003257855       11.4921295037
  H        12.6763453735       22.1906121743       12.7098451727
  H        14.3567211772       21.6868782361       12.9017363427
  H        14.1144551918       23.3913937295       11.0602541160
  H        14.7355923568       21.8568435791       10.4633112140
  H        12.9879366007       22.6957438480        8.9189415796
  H        11.8280331183       22.8214223625       10.2354761363
  H        11.4063447469       20.7220278827        8.9780712246
  H        13.0950931822       20.2368777196        9.1773397563
  H        11.6634555253       19.0307410584       10.7924825630
  H        11.0266037204       20.5406293133       11.4237194941
  H        11.6269763799       17.4468661873       12.4691151071
  H        13.4633049087       17.6010101821       10.9030334566
  H        14.6698328662       17.2910707417       12.1445463468
  H        12.5948104435       15.2778220760       11.1113898546
  H        14.3244329053       15.2680999570       10.7759522390
  H        13.8294273448       13.6505567835       12.6093171527
  H        14.7668501164       14.9850806503       13.2601333109
  H        11.7110385236       14.7303439617       13.4177673872
  H        12.8230548531       14.4960328590       14.7666751736
  H        11.7950627977       16.7820578516       14.8004481334
  H        13.5558401853       16.7929379601       14.7466057889
  H        10.5460440739       18.9302895487       14.0486778804
  H        10.9991403748       20.6296993981       13.9619325951
  H        10.6520730518       20.3369131311       16.3328182737
  H        11.2533890193       18.6796493336       16.3003538870
  H        11.9445404942       22.1285558921       17.3735987075
  H        13.7559863820       22.0273488209       19.0008739866
  H        14.9929874083       22.1069844984       17.7574515505
  H        13.1116668528       24.3294434164       18.6925465048
  H        14.8684821292       24.2845170618       18.7832606298
  H        14.0394773350       25.8221638848       16.9867974994
  H        15.0342045901       24.5493260933       16.3109758865
  H        12.9270965778       24.8213118879       14.9492815808
  H        11.9643621670       24.4835836904       16.3866872052
  H        12.3512690837       22.4212122141       14.9172076761
  H        14.0735478756       22.5849351876       15.2191750401
  H        14.2438806467       19.6486607009       18.5309463331
  H        12.6331006662       17.2748949579       17.4504492712
  H        14.3009926536       17.6296212805       16.9935499340
  H        14.2235138445       15.9570539047       18.8584790702
  H        15.0061197942       17.4442123560       19.3846373707
  H        12.1239216994       16.5647299433       19.9770869037
  H        13.4285528127       16.7376038992       21.1418209309
  H        11.7779834930       18.6677930722       21.1744448990
  H        13.4541615236       19.1610587800       20.9258590448
  H        11.2669681778       18.9691341457       18.7806231217
  H        12.0238610977       20.4330177829       19.3975174892
  H        16.1474453041       19.5352007426       17.3944353800
  H        16.1892563627       21.8311361125       15.9543918213
  H        17.6993611812       21.4422238114       13.8399060929
  H        16.2327476340       19.6930869529       12.5075389458
  H        16.1550919543       17.4024310345       13.9383113549
  H        17.5985018378       17.7427320734       16.1148923821
  H        19.0026078992       19.0978826788       14.2305689703
  H        18.9979581234       20.0424328603       15.7606427777
 Rh         5.9897684181       10.0730916938       14.9889483743
  P         4.1723625298        9.5772626858       13.6342822371
  C         3.7333028719        7.8404453351       13.1060101350
  C         3.6418394383        6.8855916045       14.3190555698
  C         3.6388880426        5.4054362182       13.8973952502
  C         4.8564879884        5.0855985180       13.0276666018
  C         4.7713923035        5.8940060849       11.7334982604
  C         4.7439213923        7.4001407907       12.0266947870
  C         2.5964116162       10.2167563844       14.3891505809
  C         2.6675090832       10.1277557466       15.9162432192
  P         4.3575872819       10.6225258068       16.5173652922
  C         4.1369277650       12.3853205060       17.0414927113
  C         3.9728223869       13.2831626212       15.7948002888
  C         4.0648141974       14.7777365961       16.1314535876
  C         5.3788176122       15.0666969477       16.8614256525
  C         5.4135461869       14.2927534347       18.1806043034
  C         5.3099789855       12.7822858490       17.9593785885
  C         4.6089585095        9.6839978443       18.0815448935
  C         4.9710338543        8.2100251812       17.8196392953
  C         5.2487409075        7.4991180358       19.1513599225
  C         4.0299557092        7.5959651840       20.0810729979
  C         3.4044879883        9.8095600958       19.0248855601
  C         3.6591316739        9.0633883068       20.3413988587
  C         4.3863190594       10.5306625651       12.0646883000
  C         4.7084277186       12.0148398160       12.3296625824
  C         4.9740962722       12.7681273724       11.0146117295
  C         3.8490051706       12.5733736831        9.9855457987
  C         3.5043304113       11.0923038755        9.7769953782
  C         3.2043107636       10.3783475878       11.1022154702
  C         7.8553432687       11.1915602721       15.5467254140
  C         7.5977295012        8.6925971658       14.3525860053
  C         8.5103508117        8.9313328240       15.5736224156
  C         9.6436324688        9.7633686376       14.9120630928
  C         8.6582300350       10.7932667750       14.2907750140
  C         7.7701381919       10.0481972045       16.3422284250
  C         7.6879941435        9.8398411930       13.5588580297
  H         2.7303431155        7.9103060905       12.6533623786
  H         4.4940705024        7.0570329338       14.9938909348
  H         2.7341548688        7.1095782660       14.8999819487
  H         2.7262139576        5.1688850452       13.3336796793
  H         3.6153090833        4.7831432821       14.7989975232
  H         5.7790105242        5.3384722085       13.5724042718
  H         4.9199481056        4.0118981530       12.8059510478
  H         5.6224302975        5.6843177757       11.0716463113
  H         3.8681354767        5.5963883918       11.1824233364
  H         4.5214000666        7.9418123244       11.1016674398
  H         5.7542887756        7.7106767537       12.3280705877
  H         2.4867915274       11.2611955325       14.0670569160
  H         1.7338684709        9.6648693286       13.9909170458
  H         1.9053315663       10.7578032225       16.3959922326
  H         2.4963910183        9.0953548548       16.2499956588
  H         3.2007937441       12.4356217092       17.6200523378
  H         4.7542041196       13.0366044738       15.0600316472
  H         3.0086782544       13.0651561502       15.3142006210
  H         3.9783440248       15.3617313670       15.2039668634
  H         3.2172416323       15.0748421205       16.7660827498
  H         5.5083586289       16.1401249707       17.0499885083
  H         6.2256488932       14.7650802068       16.2262431770
  H         6.3301421322       14.5086229801       18.7427623932
  H         4.5729516921       14.6229446195       18.8063903261
  H         6.2564511509       12.4126863731       17.5389368102
  H         5.1909535187       12.2807543544       18.9303719228
  H         5.4844716063       10.1626495212       18.5495255698
  H         5.8373759600        8.1492559140       17.1428351474
  H         4.1393519226        7.7075486302       17.3052833906
  H         6.1161394714        7.9741558784       19.6332918265
  H         5.5278485141        6.4517233502       18.9712580588
  H         4.2201867763        7.0752207436       21.0289385432
  H         3.1788329284        7.0851771323       19.6071235904
  H         3.1678494614       10.8641159432       19.2154174253
  H         2.5255387095        9.3737381484       18.5331495770
  H         4.4817500711        9.5575428364       20.8825965406
  H         2.7663475045        9.1348092308       20.9787056378
  H         5.2766023744       10.0737163638       11.6020173497
  H         5.5815166564       12.0943164032       12.9988618236
  H         3.8678989710       12.4869090437       12.8595107457
  H         5.1015331345       13.8383802949       11.2297938617
  H         5.9288964775       12.4248383028       10.5924351882
  H         4.1429599163       13.0266087228        9.0277722232
  H         2.9492630499       13.1092566831       10.3156148246
  H         2.6372109864       10.9883537136        9.1097686438
  H         4.3509626235       10.5823859721        9.2901145187
  H         2.2980550116       10.7942819588       11.5623004606
  H         2.9968141517        9.3197195032       10.9143107679
  H         7.6928241346       12.2197135501       15.8591946792
  H         7.2251788841        7.7153063869       14.0587883449
  H         8.7824469499        8.0439869314       16.1507647655
  H        10.3376376816       10.2079947535       15.6354189808
  H        10.1978176315        9.1946623153       14.1605269080
  H         9.0664380490       11.6179294247       13.7003761173
  H         7.5413613561       10.0117658147       17.4032486591
  H         7.3967893754        9.9423897015       12.5173997118
 Rh        12.6624311955        9.7721220628        4.7031151259
  P        14.3095368211       10.0706979769        6.1637280773
  C        14.4369614771       11.8778095609        6.6692481625
  C        14.7397228996       12.8524473988        5.5133880652
  C        14.7565530964       14.3223963355        5.9850352469
  C        13.4944313643       14.7069289172        6.7645304687
  C        13.3180164553       13.7665530294        7.9579157846
  C        13.1928987909       12.3172803474        7.4639061155
  C        15.9730795842        9.6651421669        5.4232046254
  C        15.9421851348        9.9137336061        3.9050819953
  P        14.3029137511        9.4184593474        3.1990471938
  C        14.3641971035        7.6163352047        2.6967785019
  C        14.5641204860        6.6915929413        3.9161552293
  C        14.4360497874        5.2013136195        3.5518875311
  C        13.0971754003        4.9158041189        2.8641621052
  C        12.9835902864        5.7643992612        1.5952169327
  C        13.0796302551        7.2630858705        1.9122811232
  C        14.1387510000       10.3272699678        1.6042097377
  C        13.9633028074       11.8354999399        1.8517540450
  C        13.5756209917       12.5481605219        0.5509916983
  C        14.5983576916       12.2653863457       -0.5598688285
  C        15.2249172461       10.0743938578        0.5462290244
  C        14.8117549723       10.7576431072       -0.7675518465
  C        14.1571371532        9.2128858542        7.7855120621
  C        13.7495240925        7.7363684513        7.6574470444
  C        13.3811791332        7.1880334474        9.0448199963
  C        14.5822443815        7.3018665597        9.9918797343
  C        15.0643158773        8.7568635113       10.0914867278
  C        15.3666350042        9.3799851252        8.7159750749
  C        10.5575289622        9.9979328143        3.4726566177
  C        10.8807996147        9.2807435121        6.1465162583
  C         9.6543889445       10.0855566041        5.6952657162
  C         8.8738352708        9.0119014717        4.8883766936
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  H        13.3034433201        9.7410767143        8.2397708643
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  H        14.5814161804        7.1528059622        7.2389732072
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  F         7.3493948800       10.8238527748       -0.2337634953
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  C         7.0578866428        8.8552992396        1.7135700939
  C         6.4548436576        7.8493584105        2.4617263322
  C         5.5101984433        8.1575663953        3.4544975270
  C         5.1338089295        9.4818232547        3.7479651262
  C         5.7090575331       10.4791908484        2.9300175405
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  C         2.5619674898        7.8675665574        4.6524835435
  C         1.6508256047        6.8828426178        5.0603096752
  C         1.3013687598        6.7381965672        6.4053113178
  C         1.9082035416        7.6019441644        7.3268657147
  C         2.8684882579        8.5343543970        6.9177338816
  C         1.5900779266        7.5215418785        8.7943023567
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  F         2.6870416902        7.1593793034        9.5359609483
  F         1.1789052461        8.7267071591        9.3116676596
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  F         0.1929968237        5.0732346634        4.3300546925
  F         0.6511773044        6.7256479588        2.9275989191
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  C         5.9309497124        9.1820798422        6.9128093673
  C         6.8654028566        9.3823230093        7.9307933833
  C         7.3123081785       10.6688455339        8.2470364844
  C         6.8073249881       11.7399227532        7.4941185007
  C         5.8302062070       11.5260393770        6.5096764671
  C         7.3300230574       13.1409441027        7.7002696117
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  F         6.3564428359       14.0829416163        7.4834553430
  F         8.3364041035       13.4804798518        6.8178886363
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  F         7.4263378839        7.0974478425        7.7771580031
  F         6.2867172142        7.7328875052        9.5345209797
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  C         2.6120406380       11.2718318468        3.5365901010
  C         1.6683994622       12.2651925202        3.2898508853
  C         1.2907165200       13.1779726377        4.2755723700
  C         1.8511328923       13.0240088468        5.5401950352
  C         2.7707198443       11.9971794295        5.8045011556
  C         1.1079606382       12.3792209510        1.9150306890
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  F         1.8947354266       13.1565320675        1.0966482759
  F        -0.1571851388       12.9038188559        1.9042183343
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  F         7.4994403812        5.8839567393        3.2982961159
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  F         2.6782021045       14.5675840008        7.1198586260
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  H         5.0621173781        7.3366957267        4.0127884799
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  H         2.8833180444       10.5907651249        2.7316229833
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  H         3.1541130398       11.8908748199        6.8185155133
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  F        11.2167939088        9.0170538478       20.2258176074
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  C        11.4155964978       11.0380059004       18.1916849347
  C        11.8757194265       12.0106905263       17.3040536625
  C        12.7540665648       11.6796835368       16.2634116454
  C        13.2445979693       10.3745336822       16.0833245706
  C        12.7846562580        9.4109469242       17.0063890172
  B        14.1581254488        9.9785793842       14.7745551427
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  C        15.7876680721       12.0315478777       15.2375857492
  C        16.7088061320       13.0101893303       14.8440225691
  C        17.0831049794       13.1470124376       13.5022604412
  C        16.4987872506       12.2879019841       12.5637069956
  C        15.5503090311       11.3389736892       12.9634009693
  C        16.8385737284       12.3974743870       11.0982512383
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  F        15.7540337417       12.8157583574       10.3465114561
  F        17.2355947829       11.1909390619       10.5625062908
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  F        18.1478108120       14.8377595792       15.4061955918
  F        17.8394773618       13.2539231538       16.9366663555
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  C        12.4475000899       10.6698751664       12.8525946777
  C        11.4565379892       10.4142543180       11.8924791310
  C        11.0134768409        9.1114111108       11.6602478919
  C        11.6021128634        8.0722523854       12.3834720898
  C        12.6088535983        8.3298850829       13.3198401043
  C        11.0279799742        6.6993749657       12.2312074788
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  F        11.9222841846        5.6913016496       12.4648729844
  F        10.0065570173        6.4972057192       13.1308561596
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  F        10.6220224016       12.6629197214       11.7463444335
  F        11.7643019464       11.8826838386       10.0510710355
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  C        15.8702076789        8.5748089825       16.2921738589
  C        16.8129875392        7.5584633879       16.4683057510
  C        17.1098291443        6.6616841371       15.4386959856
  C        16.4832037801        6.8326848402       14.2121807701
  C        15.5684426749        7.8728648889       14.0196815835
  C        17.4860378694        7.2662262061       17.7717217177
  F        17.6144069399        8.3295631437       18.6241827191
  F        16.7943107581        6.3141146235       18.4818162583
  F        18.7603659003        6.7889486624       17.5422273675
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  F        10.4795054132       13.7351935873       16.4305511609
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  F        17.3748466733        6.5272084609       12.0281850160
  F        15.6577052975        5.2680295809       12.6125025516
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  H        10.7025328443       11.2904913648       18.9721537023
  H        13.0572511225       12.4656357418       15.5726938999
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  H        17.8102602120        5.8489900401       15.5992025037
  H        15.1281175072        7.9985822483       13.0345971465
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  F         3.3648995167       17.0887429181       18.6335088137
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  F         3.9027552881       24.0240102137       17.3051993784
  F         1.9935310603       23.2922072287       16.4321266021
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  C         7.2867390422       18.2981754552       16.2225705864
  C         8.2458230747       17.3128020661       16.4685499780
  C         8.6307898001       16.4102442528       15.4769808853
  C         8.0548112342       16.5495345885       14.2148894955
  C         7.1104572627       17.5526860369       13.9610316291
  C         8.4240440289       15.5987548871       13.1141505427
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  F        10.0149737138       16.5637249848       17.8928958320
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  C         2.4049416898       21.1127912560       10.8830048268
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  F         1.0941397138       21.3318067298       11.2598454141
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  F         3.4287549145       15.3127130934       12.3968956882
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  F        15.0493785201        2.8838421547        1.1029276273
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  C        14.2538772694        0.9261031668        3.0212573893
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  C        15.4223462524       -0.7214738139        1.6651906398
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  F        14.4477904788       -4.0428051888        2.4968150046
  F        16.4085573909       -3.4510583660        3.3558386474
  B        12.8030748213        0.2578784202        5.1808136105
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  C        11.1198367464        1.5629846465        3.6015140775
  C        10.1460982490        2.5296698706        3.3278674048
  C         9.7278425168        3.4291927315        4.3123021845
  C        10.3084772433        3.3342540946        5.5735104252
  C        11.2845242313        2.3630867081        5.8487391713
  C         9.9364536603        4.3045254405        6.6595022908
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  F         9.1281999595        5.3293964506        6.2342210014
  F         9.3011483864        3.6785913442        7.7024112781
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  F         8.4049418495        3.3383116660        1.9046959940
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  C        11.2959730493       -1.8875843063        4.6109522625
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  C         9.8259871614       -2.9466599074        6.2403454679
  C        10.3460822462       -2.0831453936        7.2031118059
  C        11.3124186992       -1.1273780589        6.8712977319
  C         9.9455623273       -2.1909484790        8.6415326233
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  F         8.9057573538       -3.0516467074        8.8713240500
  F        11.0137165027       -2.6153599161        9.3948646039
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  F        10.7209121952       -4.4549465078        3.2269907925
  F         9.1430403916       -2.9683220313        2.8579505823
  C        13.8618390696        0.6081321718        6.3764148302
  C        14.3518346546        1.9067270161        6.5910584034
  C        15.3212078204        2.1882352801        7.5649776573
  C        15.8441428520        1.1768516264        8.3672473575
  C        15.4098281828       -0.1310345318        8.1268057520
  C        14.4474041871       -0.4101243965        7.1546057960
  C        16.0244050546       -1.2307375972        8.9321360257
  F        16.0429153374       -0.8781223172       10.2684252045
  F        17.3295484399       -1.4919107175        8.5816078508
  F        15.3725223806       -2.4184846071        8.8060885672
  C        15.8739628707        3.5793622129        7.6522445952
  F        16.4726377434        3.8597919190        8.8530926427
  F        14.9156107337        4.5290878019        7.4137005565
  F        16.8246751506        3.7863897047        6.6746981043
  H        14.0038544497        1.9706597790        3.2039984969
  H        13.9236087547       -2.1715456146        4.3556186688
  H        16.0224293008       -0.9831271397        0.7986456413
  H        11.4151603526        0.8717509975        2.8127875959
  H         8.9839954402        4.1884482321        4.0954100640
  H        11.7093241193        2.3242200944        6.8516085513
  H        11.6573912357       -1.8535954534        3.5843397730
  H         9.0842789851       -3.6948528208        6.5014358618
  H        11.6764657770       -0.4651744331        7.6557223956
  H        13.9749709543        2.7281696021        5.9837065027
  H        16.5661258645        1.3976297682        9.1495062412
  H        14.1504462069       -1.4460443039        7.0016637078
  H        10.7753529020       11.7966902983        4.7958554660
  H        11.6676920812       10.1075972837        3.1938194456
     646
 i =       70, E =         0.0008557367
 Rh         3.6266972792        0.2319971203        4.8168476089
  P         5.3845993275        0.6381687524        6.2771692079
  C         5.2424275705       -0.2755702863        7.8774866037
  C         4.8122453510       -1.7386950865        7.6766316221
  C         4.5357275463       -2.4113691692        9.0294256079
  C         5.7180190200       -2.2721846976        9.9995688054
  C         6.1939910595       -0.8191474128       10.1440935713
  C         6.4823853983       -0.1709378933        8.7801334332
  C         5.6737425796        2.4017331258        6.7875152120
  C         4.6646591040        2.8071297489        7.8877137844
  C         4.5970562625        4.3200372115        8.1590970763
  C         4.5280647817        5.1407176982        6.8687487960
  C         5.7196483335        4.7899931514        5.9754933883
  C         5.6100935755        3.3218967100        5.5523685109
  C         6.9951810600        0.0927978791        5.5045415544
  C         6.9570661705        0.2327651858        3.9759044402
  P         5.3000812699       -0.2376126309        3.2762674549
  C         5.4362842238       -2.0263980464        2.7652078936
  C         4.3192109834       -2.4149615948        1.7773522948
  C         4.3758913876       -3.9057777176        1.4315672142
  C         4.2264668788       -4.7577619130        2.6940489972
  C         5.3435315761       -4.4308261829        3.6904757255
  C         5.3906233939       -2.9276510698        4.0213286392
  C         5.1737653812        0.7179203993        1.6967577632
  C         4.9053891503        2.2203292949        1.9161918523
  C         4.4344779647        2.8338623583        0.5879177890
  C         5.4734462805        2.6279270345       -0.5262996417
  C         5.9156044201        1.1595285322       -0.6563119287
  C         6.3364760081        0.5575356906        0.6985261099
  C         1.8707697389        0.3101070885        3.4640776455
  C         1.8982197262       -0.9455854250        4.0762204682
  C         1.0559746625       -0.8365161716        5.3586295371
  C         1.9136596074        0.0913470114        6.2469087330
  C         1.8806915374        1.3480408612        5.6403320220
  C         1.0056782828        1.2059663218        4.3772721299
  C        -0.0298597162        0.1692483653        4.8911407242
  H         4.4114759294        0.2433827437        8.3836886319
  H         5.5960795080       -2.2906954201        7.1369578227
  H         3.9150598131       -1.7715505373        7.0387206313
  H         4.3015285840       -3.4748164821        8.8730397671
  H         3.6349994656       -1.9604105276        9.4707549564
  H         5.4396247932       -2.6765510601       10.9838289082
  H         6.5553638768       -2.8862520717        9.6419113915
  H         7.1006680320       -0.7767502099       10.7666763842
  H         5.4229880212       -0.2265951998       10.6620188779
  H         6.7899130120        0.8744771200        8.9189379206
  H         7.3307321776       -0.6799832478        8.3037884010
  H         6.6948095320        2.4533415817        7.1997226166
  H         4.9233697070        2.2930169743        8.8237399321
  H         3.6631868744        2.4479108857        7.6113732993
  H         5.4843280471        4.6337447041        8.7273128774
  H         3.7294028673        4.5225266093        8.8041651405
  H         4.4964309812        6.2128476480        7.1039891662
  H         3.5978615122        4.9188162877        6.3236200196
  H         6.6540048806        4.9423682179        6.5345003256
  H         5.7773230787        5.4382830914        5.0924340673
  H         6.4011649529        3.0565155434        4.8357999195
  H         4.6524866190        3.1628567220        5.0291553807
  H         7.8313016148        0.6639610602        5.9339328855
  H         7.1454725060       -0.9572862610        5.7922924370
  H         7.7579671462       -0.3426236522        3.4906869979
  H         7.1004199240        1.2843787045        3.6873691473
  H         6.4092268798       -2.1480504239        2.2619374717
  H         4.3611520293       -1.8083402720        0.8636131571
  H         3.3404770025       -2.2092220591        2.2318371282
  H         5.3312576789       -4.1354397429        0.9380936844
  H         3.5832676964       -4.1398914024        0.7099050071
  H         4.2274972953       -5.8260379703        2.4386516242
  H         3.2453541270       -4.5597452578        3.1504906428
  H         5.2044194369       -4.9905512083        4.6280676143
  H         6.3092805753       -4.7509673199        3.2738103487
  H         6.2547234396       -2.7219337941        4.6681090139
  H         4.4953479550       -2.6538743596        4.6033213559
  H         4.2702947183        0.2941786338        1.2286642852
  H         5.8319429733        2.7167956866        2.2423456049
  H         4.1640397220        2.3765617117        2.7138749808
  H         4.2191880069        3.9045568384        0.7141302400
  H         3.4829235333        2.3588073461        0.3042156903
  H         6.3546446878        3.2520114632       -0.3156675267
  H         5.0676170621        2.9842230471       -1.4844173584
  H         6.7447194003        1.0788759092       -1.3750942589
  H         5.0858790257        0.5592639908       -1.0626012328
  H         7.2140205406        1.0946226297        1.0786049460
  H         6.6396247209       -0.4895362534        0.5739339260
  H         2.1274114806        0.5434325412        2.4345045993
  H         2.1796373526       -1.8933437188        3.6286326087
  H         0.7416790658       -1.7825942654        5.8048903628
  H         2.1758780577       -0.1273253082        7.2775305193
  H         2.1199049105        2.3007251925        6.1048526200
  H         0.6400403869        2.1359297351        3.9340289220
  H        -0.6352192273        0.5515297051        5.7211864361
  H        -0.6772088800       -0.2287202788        4.1029253465
 Rh        14.7193285924       19.6379288470       14.9623117410
  P        12.9363445865       19.1995720613       13.5205262102
  C        13.1004775959       20.1883908627       11.9635210713
  C        13.4977778353       21.6532123309       12.2126346887
  C        13.8422784441       22.3422638209       10.8839408002
  C        12.6895710238       22.2416975068        9.8754609284
  C        12.2675797919       20.7817756491        9.6599758886
  C        11.9211738447       20.0802296427       10.9854256381
  C        12.6359542046       17.4628404744       12.9168799276
  C        13.6473832579       17.0381189792       11.8300230843
  C        13.5773725710       15.5305325593       11.5384770746
  C        13.7893899040       14.7266813117       12.8239652356
  C        12.6794757832       15.0479905068       13.8284833094
  C        12.6581405809       16.5466903146       14.1590961117
  C        11.3165665648       19.6547762780       14.3545790969
  C        11.4205382313       19.6858222133       15.8916193181
  P        13.1021981336       20.1775997033       16.5266528174
  C        12.9580766830       21.9803365008       16.9682854388
  C        13.9866496466       22.4619893031       18.0166462485
  C        14.0120778609       23.9988540085       18.1567502917
  C        14.0746971335       24.7379265832       16.8147816195
  C        12.9326973498       24.2822982102       15.9058556521
  C        13.0784216825       22.7797435188       15.6555466553
  C        13.3171504560       19.2281983751       18.1054084162
  C        13.5672441191       17.7369850265       17.8069166134
  C        14.0389528753       17.0186218339       19.0778085590
  C        13.0152715388       17.1627244585       20.2147713188
  C        12.6121088958       18.6288410985       20.4570379487
  C        12.2115450840       19.3768063171       19.1661911720
  C        16.4283325149       19.6467490140       16.3517995854
  C        16.4564004284       20.8347865210       15.6120740838
  C        17.3348623632       20.5619194422       14.3754966709
  C        16.4689396850       19.5742560283       13.5611209476
  C        16.4372596382       18.3883631142       14.2967177555
  C        17.2845442507       18.6323482824       15.5640924063
  C        18.3729085541       19.5802045357       14.9869135127
  H        13.9712041467       19.7000576719       11.4918532335
  H        12.6752671605       22.1904586138       12.7088511950
  H        14.3569087566       21.6881961032       12.9027333007
  H        14.1143284481       23.3921072090       11.0604349448
  H        14.7365762098       21.8577363922       10.4629008894
  H        12.9879721146       22.6961225025        8.9182950630
  H        11.8284727625       22.8219837212       10.2357347154
  H        11.4054085518       20.7226163550        8.9789153663
  H        13.0944947187       20.2370629396        9.1768942591
  H        11.6632817540       19.0308084957       10.7929730607
  H        11.0275634946       20.5413112239       11.4250448327
  H        11.6273431940       17.4464288885       12.4707400400
  H        13.4634103251       17.6013965704       10.9042227290
  H        14.6703479310       17.2909982093       12.1455067830
  H        12.5956415530       15.2781125110       11.1112546397
  H        14.3254932013       15.2685791079       10.7765557712
  H        13.8285348657       13.6498105669       12.6088024762
  H        14.7671553926       14.9834067754       13.2603940940
  H        11.7110126149       14.7307721695       13.4177413847
  H        12.8227676706       14.4947109675       14.7666411018
  H        11.7958078950       16.7812205211       14.8017731897
  H        13.5566896701       16.7919299042       14.7482222268
  H        10.5456148297       18.9318555101       14.0466157086
  H        11.0010763067       20.6311746786       13.9620353402
  H        10.6514746798       20.3364282052       16.3321968883
  H        11.2524822700       18.6787822184       16.2994219392
  H        11.9438397324       22.1282558680       17.3741317895
  H        13.7570870744       22.0253225151       18.9998793283
  H        14.9930081338       22.1067070623       17.7551963816
  H        13.1110493973       24.3277365149       18.6926451905
  H        14.8678347450       24.2832104198       18.7841741850
  H        14.0398688326       25.8214486775       16.9879265425
  H        15.0347437070       24.5487035623       16.3120331728
  H        12.9290951208       24.8216627356       14.9489424454
  H        11.9646529379       24.4853412043       16.3857339956
  H        12.3478081809       22.4226389663       14.9179788230
  H        14.0710910438       22.5837843887       15.2170377655
  H        14.2447043852       19.6489391259       18.5299472861
  H        12.6342817897       17.2746657858       17.4500628999
  H        14.3024322960       17.6292494783       16.9940079613
  H        14.2233975222       15.9569644964       18.8591364123
  H        15.0061038177       17.4438695966       19.3856266372
  H        12.1228540873       16.5659018921       19.9759239490
  H        13.4269472716       16.7370350755       21.1419981029
  H        11.7782775558       18.6690532618       21.1743077794
  H        13.4550280202       19.1612686948       20.9256045852
  H        11.2678530607       18.9687224768       18.7801036026
  H        12.0242358805       20.4333076069       19.3965049632
  H        16.1495846759       19.5350417941       17.3952229254
  H        16.1900952909       21.8304429785       15.9551882528
  H        17.6986549969       21.4419467160       13.8398694970
  H        16.2307398504       19.6936651351       12.5079425366
  H        16.1537382792       17.4026800506       13.9384219636
  H        17.5985576062       17.7419479779       16.1140471001
  H        19.0031873236       19.0979795116       14.2303521312
  H        18.9972398660       20.0424327555       15.7609946312
 Rh         5.9891586015       10.0727346806       14.9888349414
  P         4.1721855859        9.5776315754       13.6336171609
  C         3.7351755602        7.8404472552       13.1057130512
  C         3.6436420495        6.8861731406       14.3189758292
  C         3.6394172632        5.4059953493       13.8977769768
  C         4.8565948801        5.0857766015       13.0277340987
  C         4.7721234886        5.8939454041       11.7343784531
  C         4.7461256485        7.3998782109       12.0271457323
  C         2.5964881060       10.2167577559       14.3891169291
  C         2.6673533086       10.1274275035       15.9158122044
  P         4.3571834421       10.6222729176       16.5177523166
  C         4.1369539224       12.3853946776       17.0417121965
  C         3.9738990197       13.2831495789       15.7951239872
  C         4.0650925415       14.7777122099       16.1312630587
  C         5.3787677881       15.0671205627       16.8615775675
  C         5.4136497016       14.2930516395       18.1800399584
  C         5.3103894933       12.7827489603       17.9590906428
  C         4.6077349596        9.6835883894       18.0821755963
  C         4.9705754379        8.2098490591       17.8204845204
  C         5.2478760070        7.4989187155       19.1515191502
  C         4.0300090881        7.5953637090       20.0820188183
  C         3.4041820512        9.8091308549       19.0262435486
  C         3.6591691064        9.0630012967       20.3423638568
  C         4.3855736318       10.5307366808       12.0636845394
  C         4.7078751105       12.0149401361       12.3287136328
  C         4.9748247016       12.7677620402       11.0138029285
  C         3.8494879547       12.5737066201        9.9854843803
  C         3.5042776008       11.0931991603        9.7761941743
  C         3.2042810568       10.3795516017       11.1009654829
  C         7.8539771794       11.1904859446       15.5467086499
  C         7.5973676757        8.6929523692       14.3522366688
  C         8.5097998510        8.9309499532       15.5739430797
  C         9.6424705852        9.7638114669       14.9127864483
  C         8.6574218769       10.7932399037       14.2911091612
  C         7.7689927190       10.0483890744       16.3417748491
  C         7.6877289668        9.8393376890       13.5592414778
  H         2.7320434399        7.9091775559       12.6519710152
  H         4.4957106589        7.0574387516       14.9934973923
  H         2.7357717354        7.1109419112       14.9001565836
  H         2.7265233025        5.1698046862       13.3343493086
  H         3.6156522154        4.7837741697       14.7996966516
  H         5.7794973939        5.3372079764       13.5727362424
  H         4.9192970219        4.0112491713       12.8059934508
  H         5.6225453811        5.6829143601       11.0713405967
  H         3.8678942254        5.5975463105       11.1833020954
  H         4.5245313030        7.9421221932       11.1018331664
  H         5.7567598002        7.7098575121       12.3289286759
  H         2.4864694252       11.2611136592       14.0669279905
  H         1.7333643964        9.6646864529       13.9905242609
  H         1.9046624244       10.7570026969       16.3959015395
  H         2.4966071873        9.0947849063       16.2495599736
  H         3.2011088478       12.4361259953       17.6205557617
  H         4.7553759847       13.0363286529       15.0608060806
  H         3.0094259153       13.0648777105       15.3135005883
  H         3.9787206523       15.3615002629       15.2033697343
  H         3.2175763647       15.0749578730       16.7655365655
  H         5.5077425795       16.1408876035       17.0502682513
  H         6.2262545081       14.7665149528       16.2262006107
  H         6.3299853805       14.5092834311       18.7429829307
  H         4.5725499654       14.6230426821       18.8059596276
  H         6.2569549986       12.4134892667       17.5376477179
  H         5.1926360225       12.2808617876       18.9300623964
  H         5.4837773226       10.1622182144       18.5502310222
  H         5.8367140205        8.1494222226       17.1434596163
  H         4.1386184684        7.7069642389       17.3053196205
  H         6.1161187465        7.9730839711       19.6331778623
  H         5.5268074589        6.4507709555       18.9711561332
  H         4.2208846458        7.0749080206       21.0298258761
  H         3.1785888867        7.0844821650       19.6087633516
  H         3.1681628110       10.8643237109       19.2173994435
  H         2.5242944379        9.3744537868       18.5350075556
  H         4.4813823160        9.5569890558       20.8838965907
  H         2.7660638937        9.1338212858       20.9800798826
  H         5.2757976115       10.0737146139       11.6010116877
  H         5.5808531725       12.0941053710       12.9989319179
  H         3.8673246347       12.4872246997       12.8578982622
  H         5.1036119822       13.8379506644       11.2289389314
  H         5.9292491611       12.4232444521       10.5917212347
  H         4.1428095400       13.0282311196        9.0272977338
  H         2.9497746079       13.1097169212       10.3162747368
  H         2.6372025585       10.9897624595        9.1083632059
  H         4.3509025555       10.5830134349        9.2889428030
  H         2.2975193682       10.7964390000       11.5610693796
  H         2.9949671806        9.3205246457       10.9133570051
  H         7.6900161635       12.2196510469       15.8585923585
  H         7.2250448872        7.7149954863       14.0584504575
  H         8.7816243164        8.0440025743       16.1507152774
  H        10.3364869852       10.2084161491       15.6364016151
  H        10.1977604779        9.1949786966       14.1610990354
  H         9.0657400881       11.6182147401       13.7008002514
  H         7.5399923949       10.0114085568       17.4034476686
  H         7.3971733951        9.9419049127       12.5167523464
 Rh        12.6625181657        9.7734233962        4.7029101193
  P        14.3092640788       10.0704417782        6.1638126329
  C        14.4374060611       11.8772835682        6.6688975364
  C        14.7392103994       12.8523024131        5.5136496747
  C        14.7568137678       14.3219335301        5.9848444208
  C        13.4949413268       14.7062274212        6.7640025413
  C        13.3173989042       13.7659009880        7.9570298093
  C        13.1931203690       12.3172019087        7.4638953104
  C        15.9724961302        9.6648540423        5.4228569090
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  H        11.5793987427        7.3213159953        5.3050807434
  F         8.5061520867       11.5993674255        1.4657088226
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  F         7.3494845469       10.8240324163       -0.2333535707
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  C         7.0563369624        8.8550630048        1.7125823297
  C         6.4545945841        7.8492373335        2.4616950669
  C         5.5107504178        8.1574865986        3.4553874513
  C         5.1341249144        9.4814895441        3.7486124601
  C         5.7094198819       10.4792095211        2.9307130449
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  C         2.5624353243        7.8671539780        4.6529288662
  C         1.6506756508        6.8824425117        5.0600189829
  C         1.3009295540        6.7381980568        6.4051554032
  C         1.9073033240        7.6018532894        7.3271019422
  C         2.8675290198        8.5350590391        6.9176482255
  C         1.5900217354        7.5210662389        8.7949041848
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  F         2.6864405579        7.1596801000        9.5352610423
  F         1.1787936836        8.7266919753        9.3115098665
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  F         0.1927128548        5.0731320749        4.3300883973
  F         0.6512297205        6.7254567088        2.9277225728
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  C         5.9301532228        9.1821742693        6.9131040735
  C         6.8648703502        9.3811056396        7.9308182377
  C         7.3120503747       10.6687046852        8.2468312261
  C         6.8080384585       11.7405526179        7.4945210543
  C         5.8308752916       11.5260077069        6.5089562467
  C         7.3300754449       13.1422035519        7.7001914709
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  C         1.6666220703       12.2666790876        3.2877480402
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  C         1.8511917471       13.0254121195        5.5425052437
  C         2.7703728125       11.9992817446        5.8045347776
  C         1.1081173033       12.3800104659        1.9157410636
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  F        11.2161877950        9.0171733005       20.2262826980
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  C        13.2450233558       10.3738205884       16.0831728575
  C        12.7842383604        9.4110867752       17.0056885741
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  C        15.7869963816       12.0323772480       15.2369812152
  C        16.7088019716       13.0107255559       14.8436725968
  C        17.0832661376       13.1472784574       13.5019526363
  C        16.4990971318       12.2881583248       12.5632433449
  C        15.5509139293       11.3388151218       12.9631927951
  C        16.8404645999       12.3976334559       11.0991257444
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  F        15.7533802674       12.8160389439       10.3454674398
  F        17.2352559982       11.1916182904       10.5623232104
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  F        18.1480041014       14.8377670483       15.4061029219
  F        17.8393457283       13.2540760644       16.9363127270
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  C        12.4466960900       10.6696242822       12.8516131275
  C        11.4574766949       10.4133630707       11.8926712022
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  C        11.6034658926        8.0755046005       12.3841003051
  C        12.6092376675        8.3301795462       13.3221394091
  C        11.0268515961        6.6970674690       12.2306783970
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  F        11.9233439596        5.6907836796       12.4655000574
  F        10.0060978059        6.4976494943       13.1315499001
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  F        10.6240041249       12.6615385807       11.7444054735
  F        11.7692749720       11.8883092075       10.0434896502
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  C        15.8690918285        8.5752068959       16.2919591194
  C        16.8129663937        7.5580753789       16.4679789123
  C        17.1101844674        6.6611519758       15.4385207099
  C        16.4846805420        6.8307435600       14.2107802844
  C        15.5697162330        7.8713347505       14.0198920503
  C        17.4863391918        7.2668345131       17.7739622553
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  F        16.7942972050        6.3143410327       18.4809951798
  F        18.7602596176        6.7889193715       17.5419251113
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  F        10.4800771011       13.7352333802       16.4310297807
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  F        17.3769224336        6.5267829830       12.0291945030
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  H        10.7039812322       11.2905026085       18.9725687436
  H        13.0585799461       12.4656430750       15.5731530562
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  H        15.6567752362        9.2459172298       17.1233862914
  H        17.8099840007        5.8494788228       15.5986903971
  H        15.1273977829        7.9981779401       13.0324805865
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  F         3.3587035473       17.0888864884       18.6346621338
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  C         3.4424601136       21.6648607939       17.3056211381
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  C         2.9247130877       23.0645641788       17.4361185615
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  F         3.9026052639       24.0251171965       17.3051640819
  F         1.9927471800       23.2935555754       16.4317842919
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  C         7.2861714596       18.2974946026       16.2224853918
  C         8.2460283515       17.3123088271       16.4693610695
  C         8.6308641191       16.4103039861       15.4766708263
  C         8.0548531035       16.5486553057       14.2144163266
  C         7.1097239905       17.5518141800       13.9610999515
  C         8.4242152761       15.5983789459       13.1147451735
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  F        10.0140784591       16.5641920578       17.8931084095
  F         7.9544650362       16.3796580335       18.6297185622
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  C         8.1667045304       22.6650876402       14.8915632203
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  C         7.0822656593       21.0173072365       12.9514566394
  C         8.4060139865       22.1105712954       11.1594080498
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  F         9.3807131057       23.0316031523       10.9270147029
  F         7.3258040674       22.5142716962       10.4097556253
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  F         7.6879413231       24.3574949891       16.5044620214
  F         9.2711794844       22.8896340989       17.0040049319
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  C         3.0309725184       20.0127550218       11.6922196982
  C         3.9919407449       20.2890760634       12.6685282962
  C         2.4037367289       21.1105735441       10.8828434916
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  F         1.0939642342       21.3321380443       11.2595044835
  F         3.0378755434       22.3175926037       10.9976017552
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  F         3.4287097687       15.3127032894       12.3966454899
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  H         4.3186453749       21.3188021858       12.7995142235
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  F        15.0494733165        2.8831624618        1.1013845456
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  C        14.2530999229        0.9262364689        3.0207584866
  C        13.7571879425       -0.0696959664        3.8916252748
  C        14.2045689823       -1.3806045151        3.6603794916
  C        15.0033730260       -1.7061684146        2.5604752970
  C        15.4231783864       -0.7211353785        1.6658587325
  C        15.4674168470       -3.1200066867        2.3847043581
  F        16.0481508174       -3.3178282863        1.1724422085
  F        14.4475496255       -4.0433734569        2.4970691766
  F        16.4088465285       -3.4516157534        3.3560747831
  B        12.8025441050        0.2583844447        5.1802163570
  C        11.7312668141        1.4597117087        4.8674660691
  C        11.1201395377        1.5636620187        3.6009485222
  C        10.1456630318        2.5304930348        3.3269833926
  C         9.7281636760        3.4300607962        4.3127812962
  C        10.3087710096        3.3352707921        5.5746091602
  C        11.2842701266        2.3639406687        5.8481049981
  C         9.9369383096        4.3036378590        6.6584745424
  F        11.0532354385        4.8849721828        7.1935788301
  F         9.1278798525        5.3299270723        6.2344179234
  F         9.3012276559        3.6786740810        7.7023409121
  C         9.6265936236        2.7120345922        1.9319471681
  F         9.4970209682        1.5306549102        1.2486498474
  F         8.4056412210        3.3391731106        1.9056826008
  F        10.4679585617        3.4704146187        1.1696012849
  C        11.8186127896       -0.9956135246        5.5667909432
  C        11.2946303645       -1.8863916292        4.6107425032
  C        10.3106682001       -2.8274069466        4.9348391661
  C         9.8256938632       -2.9460290308        6.2404374947
  C        10.3459212219       -2.0826699247        7.2028737365
  C        11.3124918397       -1.1265246619        6.8710437219
  C         9.9449059150       -2.1913176076        8.6417186791
  F         9.5860356231       -0.9750996782        9.1682538209
  F         8.9063969168       -3.0508362443        8.8712232795
  F        11.0138429782       -2.6153553816        9.3948811334
  C         9.7564227651       -3.7034811582        3.8518896257
  F         8.8176502901       -4.5685454485        4.3254461430
  F        10.7207014896       -4.4549284507        3.2268315969
  F         9.1429152796       -2.9681948182        2.8581714633
  C        13.8614359294        0.6080261043        6.3759259600
  C        14.3518616506        1.9076542628        6.5907910699
  C        15.3212919240        2.1885754268        7.5641752260
  C        15.8446922466        1.1769514397        8.3657618550
  C        15.4098777830       -0.1315086649        8.1263040711
  C        14.4468554957       -0.4095174850        7.1543529980
  C        16.0243857586       -1.2308472004        8.9318967502
  F        16.0427660273       -0.8781788528       10.2680158861
  F        17.3292339042       -1.4919919420        8.5818556655
  F        15.3727686584       -2.4180136960        8.8061930289
  C        15.8739607534        3.5786392778        7.6519650319
  F        16.4727129716        3.8599260269        8.8530099770
  F        14.9152532560        4.5294978836        7.4135951468
  F        16.8248552870        3.7864258644        6.6745401540
  H        14.0022060686        1.9702615832        3.2030913514
  H        13.9224181413       -2.1719428044        4.3542474787
  H        16.0247682049       -0.9822380859        0.7995260846
  H        11.4149627282        0.8732191381        2.8116535982
  H         8.9839824710        4.1898488014        4.0952890892
  H        11.7095059857        2.3242798438        6.8508314983
  H        11.6555136767       -1.8514027367        3.5834573142
  H         9.0839667024       -3.6940144118        6.5015000407
  H        11.6766476032       -0.4648888593        7.6555081298
  H        13.9746633004        2.7285276996        5.9837966805
  H        16.5680866149        1.3974483971        9.1475094836
  H        14.1490616868       -1.4456192798        7.0018786963
  H        10.7767761512       11.7951209526        4.7955785866
  H        11.6655793868       10.1058505293        3.1910137501
     646
 i =       71, E =         0.0122998619
 Rh         3.6273262791        0.2322750098        4.8167552567
  P         5.3846207355        0.6382281443        6.2774040297
  C         5.2412284940       -0.2764642190        7.8771835079
  C         4.8129328451       -1.7403660394        7.6763101616
  C         4.5359652156       -2.4123228728        9.0295807296
  C         5.7185347336       -2.2738803189        9.9995118143
  C         6.1937296350       -0.8205515018       10.1438111293
  C         6.4813036995       -0.1719727751        8.7797738456
  C         5.6738537626        2.4019665567        6.7882050830
  C         4.6638549107        2.8076080769        7.8874014769
  C         4.5976241685        4.3204940157        8.1594740973
  C         4.5284040928        5.1416902110        6.8693943661
  C         5.7188559015        4.7907059413        5.9746944426
  C         5.6109449069        3.3219667741        5.5526828806
  C         6.9953653995        0.0926552892        5.5053333016
  C         6.9577704124        0.2325811695        3.9766083386
  P         5.3004324974       -0.2375688643        3.2770523237
  C         5.4368658404       -2.0263623334        2.7663940582
  C         4.3207645792       -2.4142114831        1.7771175978
  C         4.3757122164       -3.9054498064        1.4324637779
  C         4.2272601175       -4.7573646382        2.6950731335
  C         5.3445141259       -4.4308686909        3.6913060720
  C         5.3910418918       -2.9278142230        4.0223984049
  C         5.1719145415        0.7174063743        1.6973981546
  C         4.9034276248        2.2197795831        1.9164551412
  C         4.4344929496        2.8342499772        0.5878183188
  C         5.4743512551        2.6283205377       -0.5256602827
  C         5.9151307783        1.1595518890       -0.6559883214
  C         6.3340058799        0.5562123953        0.6988491847
  C         1.8709994105        0.3103678521        3.4643984106
  C         1.8985252961       -0.9452480315        4.0770466749
  C         1.0567567921       -0.8353261826        5.3597645480
  C         1.9149124735        0.0924085471        6.2472152043
  C         1.8824034332        1.3488728535        5.6407343750
  C         1.0065890219        1.2068902187        4.3778515443
  C        -0.0291884093        0.1700387750        4.8916089392
  H         4.4096982958        0.2416342092        8.3829311003
  H         5.5985038816       -2.2915114626        7.1383157473
  H         3.9166881934       -1.7753788414        7.0374804279
  H         4.2998052878       -3.4752499012        8.8738987419
  H         3.6363676212       -1.9592915871        9.4711810579
  H         5.4399136533       -2.6779635397       10.9838253706
  H         6.5557982932       -2.8883075305        9.6421739726
  H         7.1004775483       -0.7770771782       10.7660898217
  H         5.4220872402       -0.2290110472       10.6617235567
  H         6.7887628091        0.8734172576        8.9187194631
  H         7.3290356037       -0.6809029456        8.3026639170
  H         6.6944705129        2.4535994691        7.2012112141
  H         4.9207104030        2.2926525022        8.8234181733
  H         3.6623297246        2.4498141831        7.6095210922
  H         5.4854778790        4.6332394260        8.7273123639
  H         3.7305440647        4.5234292500        8.8049348052
  H         4.4984584947        6.2137590108        7.1053328504
  H         3.5972979321        4.9214024287        6.3252834692
  H         6.6539141099        4.9452238711        6.5316051069
  H         5.7737750854        5.4377936610        5.0905605447
  H         6.4033704286        3.0572778732        4.8375381507
  H         4.6543292435        3.1616855569        5.0281711800
  H         7.8315228377        0.6633177447        5.9351728994
  H         7.1450314671       -0.9575422702        5.7931248358
  H         7.7585110910       -0.3439732238        3.4920483024
  H         7.1024415893        1.2837440335        3.6878455164
  H         6.4100150700       -2.1481496416        2.2639368912
  H         4.3671872989       -1.8090671513        0.8623225863
  H         3.3412130574       -2.2051014137        2.2280765351
  H         5.3306345231       -4.1356941653        0.9384335100
  H         3.5825491300       -4.1393270693        0.7116345669
  H         4.2285819858       -5.8257046067        2.4389956841
  H         3.2462120749       -4.5602029809        3.1523275679
  H         5.2060691947       -4.9909863437        4.6283979516
  H         6.3103898860       -4.7504107923        3.2739885701
  H         6.2555762801       -2.7219667243        4.6690064485
  H         4.4960949126       -2.6545635987        4.6050986975
  H         4.2677635971        0.2931059700        1.2306982214
  H         5.8293926848        2.7159398358        2.2445925251
  H         4.1605322692        2.3758124331        2.7128571354
  H         4.2197383020        3.9048402945        0.7144832875
  H         3.4830659476        2.3598749360        0.3026654555
  H         6.3555977784        3.2518251263       -0.3147588137
  H         5.0689003662        2.9850001259       -1.4839910261
  H         6.7450751897        1.0783589822       -1.3736783972
  H         5.0852184901        0.5605604578       -1.0637279473
  H         7.2123993395        1.0913631663        1.0797471430
  H         6.6352004181       -0.4914000657        0.5736680002
  H         2.1257226175        0.5428794372        2.4342671592
  H         2.1789760134       -1.8931765277        3.6292901737
  H         0.7421694080       -1.7813534821        5.8066320925
  H         2.1795185491       -0.1269164445        7.2775438083
  H         2.1243358323        2.3013488197        6.1034350547
  H         0.6412057294        2.1368656861        3.9350127981
  H        -0.6362323463        0.5519466175        5.7200822746
  H        -0.6745365262       -0.2285565626        4.1019178111
 Rh        14.7192592879       19.6376483236       14.9632801396
  P        12.9372804308       19.1997763858       13.5210364997
  C        13.1020983105       20.1880772039       11.9634454567
  C        13.4981577020       21.6535611155       12.2124633639
  C        13.8428632016       22.3426405000       10.8836485847
  C        12.6899032430       22.2422077155        9.8753482458
  C        12.2673080017       20.7822835210        9.6604534180
  C        11.9219473166       20.0805046089       10.9861289292
  C        12.6368815735       17.4624307654       12.9189139156
  C        13.6480546026       17.0380279791       11.8316898632
  C        13.5782333186       15.5306498261       11.5391568675
  C        13.7893010231       14.7256793835       12.8240948299
  C        12.6796693432       15.0473274630       13.8289116105
  C        12.6593634916       16.5458208563       14.1610099503
  C        11.3172184752       19.6558579703       14.3537254568
  C        11.4198798249       19.6852267705       15.8907962310
  P        13.1015615671       20.1772070265       16.5262186831
  C        12.9568085764       21.9799410341       16.9677373996
  C        13.9867430197       22.4606394002       18.0152158537
  C        14.0115083728       23.9971835767       18.1572547070
  C        14.0750443069       24.7369674178       16.8158223696
  C        12.9332638345       24.2829047082       15.9057132300
  C        13.0760139547       22.7799377890       15.6550772973
  C        13.3180368348       19.2280521512       18.1047994737
  C        13.5686797316       17.7367310082       17.8069078376
  C        14.0390169544       17.0185825685       19.0784766381
  C        13.0144257867       17.1631567699       20.2145390549
  C        12.6127975647       18.6296965548       20.4567383019
  C        12.2125995328       19.3769846207       19.1655259590
  C        16.4291130992       19.6462648801       16.3521718896
  C        16.4567695027       20.8338127763       15.6127188103
  C        17.3342408816       20.5615597926       14.3754398144
  C        16.4677473212       19.5741751394       13.5613463542
  C        16.4364787522       18.3884561829       14.2965529798
  C        17.2844902026       18.6315248324       15.5634368000
  C        18.3726124109       19.5799128199       14.9863818813
  H        13.9725857669       19.6999519715       11.4917491904
  H        12.6741803619       22.1898419092       12.7069269982
  H        14.3561983609       21.6901175485       12.9033355233
  H        14.1139609780       23.3929545050       11.0607359210
  H        14.7374459858       21.8593954482       10.4625358770
  H        12.9877719247       22.6962833996        8.9181770578
  H        11.8290701462       22.8227806075       10.2361452933
  H        11.4042788569       20.7235844714        8.9804966871
  H        13.0934577067       20.2374708897        9.1762807320
  H        11.6631666167       19.0313617049       10.7937654178
  H        11.0292903802       20.5422327500       11.4268675740
  H        11.6282406751       17.4457684187       12.4733204062
  H        13.4636444182       17.6017768484       10.9063919639
  H        14.6711432205       17.2908631472       12.1469876322
  H        12.5968072500       15.2785529280       11.1109799843
  H        14.3269368204       15.2693578556       10.7776452016
  H        13.8271284151       13.6490003217       12.6080285814
  H        14.7674568100       14.9808389421       13.2607260421
  H        11.7110113344       14.7314576201       13.4176987165
  H        12.8223102763       14.4928114519       14.7664165005
  H        11.7969207017       16.7799561263       14.8037980849
  H        13.5577398265       16.7902829807       14.7504774159
  H        10.5455265550       18.9348619668       14.0437051170
  H        11.0040566583       20.6335604340       13.9621455481
  H        10.6505734981       20.3356915402       16.3312152455
  H        11.2512314013       18.6779361529       16.2977233583
  H        11.9432730131       22.1276880934       17.3747485522
  H        13.7588159129       22.0222644345       18.9981144347
  H        14.9928732698       22.1063791149       17.7517451019
  H        13.1098891053       24.3251799031       18.6928747656
  H        14.8666580761       24.2811386021       18.7854784662
  H        14.0404494879       25.8204949280       16.9896594856
  H        15.0353951508       24.5477636584       16.3137460484
  H        12.9321486334       24.8219944256       14.9487397479
  H        11.9651144020       24.4880552990       16.3842738534
  H        12.3424538500       22.4248623261       14.9192113424
  H        14.0669000716       22.5821248805       15.2139071508
  H        14.2458354243       19.6493166745       18.5283559053
  H        12.6359330646       17.2742318466       17.4493843403
  H        14.3045158067       17.6287326333       16.9948262994
  H        14.2232339444       15.9567098576       18.8601248628
  H        15.0061103160       17.4433715027       19.3871309189
  H        12.1213774502       16.5678390756       19.9741403053
  H        13.4243301546       16.7363636105       21.1419175185
  H        11.7789413537       18.6709640479       21.1739156415
  H        13.4562104677       19.1614821142       20.9250671146
  H        11.2692715526       18.9681614220       18.7793536182
  H        12.0248399988       20.4335682400       19.3949470158
  H        16.1527827973       19.5347216194       17.3963551603
  H        16.1912078801       21.8300167576       15.9566015954
  H        17.6976829311       21.4417181665       13.8396947322
  H        16.2277086270       19.6945634800       12.5086605449
  H        16.1515671804       17.4026362464       13.9384152923
  H        17.5986629378       17.7409003080       16.1126825839
  H        19.0036992259       19.0983524420       14.2302998012
  H        18.9959480159       20.0423312365       15.7612360864
 Rh         5.9881258570       10.0721976955       14.9886420951
  P         4.1719282615        9.5781380458       13.6325214246
  C         3.7375968106        7.8405143009       13.1051197479
  C         3.6458484411        6.8870991695       14.3189934947
  C         3.6402878293        5.4068044787       13.8984451308
  C         4.8569689592        5.0851560594       13.0281596591
  C         4.7731873498        5.8937684891       11.7348624445
  C         4.7496989321        7.3998219161       12.0276662021
  C         2.5961273130       10.2164446638       14.3886696832
  C         2.6670271451       10.1269028575       15.9155025239
  P         4.3564837194       10.6218576841       16.5183922274
  C         4.1372166481       12.3854791121       17.0421101230
  C         3.9747217581       13.2829568274       15.7953019421
  C         4.0657047026       14.7777600392       16.1307754406
  C         5.3789427233       15.0680979374       16.8614723393
  C         5.4136836125       14.2936360350       18.1797799296
  C         5.3112875939       12.7831696016       17.9584858606
  C         4.6064019717        9.6831282872       18.0832303291
  C         4.9691650261        8.2093717995       17.8212056911
  C         5.2470974562        7.4978854732       19.1519500711
  C         4.0299880715        7.5946622240       20.0834428697
  C         3.4034353270        9.8090580418       19.0283075782
  C         3.6588430169        9.0620882598       20.3441388304
  C         4.3846469801       10.5310239396       12.0622804028
  C         4.7075772794       12.0149845082       12.3274753835
  C         4.9760123356       12.7672724683       11.0127013148
  C         3.8501298760       12.5747652012        9.9847542305
  C         3.5043402863       11.0944310460        9.7745479951
  C         3.2032526586       10.3808320899       11.0993387507
  C         7.8517699115       11.1908059630       15.5464282748
  C         7.5967356911        8.6921884568       14.3522474671
  C         8.5086275308        8.9310639589       15.5740069258
  C         9.6414357801        9.7640544301       14.9135625112
  C         8.6562661882       10.7932289546       14.2915216622
  C         7.7671507194       10.0475035622       16.3423976924
  C         7.6871562903        9.8393480967       13.5585082814
  H         2.7349534751        7.9074147845       12.6500212011
  H         4.4984718232        7.0581160222       14.9930081813
  H         2.7385659437        7.1129620580       14.9002809682
  H         2.7270058506        5.1712377532       13.3354135086
  H         3.6162302543        4.7848418254       14.8006541685
  H         5.7802138843        5.3352828796       13.5731771882
  H         4.9182457086        4.0107894382       12.8061167654
  H         5.6225031388        5.6808584764       11.0711148650
  H         3.8678096290        5.5993533979       11.1848275859
  H         4.5293954495        7.9424495528       11.1022761470
  H         5.7604212562        7.7085328461       12.3302678551
  H         2.4859994725       11.2610068697       14.0667516021
  H         1.7329870220        9.6645994552       13.9900884450
  H         1.9037565863       10.7556835341       16.3956709655
  H         2.4969614833        9.0939851640       16.2488423495
  H         3.2015471854       12.4369015005       17.6213229599
  H         4.7573248044       13.0358815745       15.0618897563
  H         3.0110755659       13.0645348558       15.3126591619
  H         3.9793332642       15.3610438790       15.2025843746
  H         3.2179484043       15.0751267940       16.7647621778
  H         5.5067440539       16.1418439638       17.0507086705
  H         6.2269991926       14.7687377117       16.2262656822
  H         6.3296352868       14.5102499012       18.7432041347
  H         4.5721513883       14.6231063946       18.8051735531
  H         6.2575551350       12.4147916687       17.5357554610
  H         5.1952219064       12.2810390235       18.9295887716
  H         5.4824870572       10.1614747404       18.5511903010
  H         5.8357551246        8.1496499749       17.1444231627
  H         4.1378976248        7.7063123495       17.3056660675
  H         6.1159793070        7.9713965874       19.6329952487
  H         5.5250979867        6.4497876127       18.9710398840
  H         4.2220208389        7.0743845609       21.0312311997
  H         3.1782275631        7.0833778834       19.6112873903
  H         3.1687537317       10.8642320306       19.2203767685
  H         2.5224810201        9.3755119602       18.5378715149
  H         4.4809821480        9.5561867786       20.8859302718
  H         2.7659287791        9.1323267443       20.9819996391
  H         5.2745903115       10.0737186827       11.5994731396
  H         5.5795708785       12.0937731429       12.9988234814
  H         3.8663066620       12.4877949835       12.8554917908
  H         5.1067988157       13.8372382860       11.2275826479
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 Rh        12.6624793627        9.7754357220        4.7023845970
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  H        14.2743603681        9.3552275529       10.5751140813
  H        16.2429068410        8.8969955221        8.2667160300
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  H        11.5817993260        7.3251082519        5.3070861416
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  F         7.3495085211       10.8240654533       -0.2332568881
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  C         7.0539355503        8.8547331574        1.7110421899
  C         6.4540964425        7.8490972299        2.4617240456
  C         5.5116124068        8.1571587137        3.4567594152
  C         5.1345852828        9.4812855883        3.7495845321
  C         5.7099428388       10.4790421546        2.9318420338
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  C         2.5633227591        7.8666402782        4.6533091610
  C         1.6508226192        6.8823603769        5.0601057180
  C         1.3003194318        6.7382734130        6.4049299689
  C         1.9063010937        7.6019809606        7.3270818973
  C         2.8658757756        8.5359729756        6.9178655646
  C         1.5896115103        7.5207657704        8.7948939089
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  F         2.6862248981        7.1597118919        9.5351292916
  F         1.1786428957        8.7267286669        9.3115875330
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  F         0.1927983727        5.0732899948        4.3300316875
  F         0.6512864953        6.7254146696        2.9277588439
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  C         6.8644219822        9.3809491778        7.9309684712
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  C         6.8083901248       11.7411546328        7.4942395641
  C         5.8320525178       11.5257499421        6.5081094291
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  F         6.3534930344       14.0812418880        7.4859627016
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  F         7.4262393483        7.0978469793        7.7770158268
  F         6.2865457256        7.7332662010        9.5342043675
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  C         1.8509630292       13.0259984230        5.5417664479
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  F         1.8928477363       13.1549650214        1.0975331590
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  F         7.4994515870        5.8838920139        3.2982219466
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  H         3.1584240473       11.8935588355        6.8177926714
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  F        11.2159195744        9.0171876264       20.2261731714
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  C        11.4176255385       11.0378521725       18.1920142704
  C        11.8770272671       12.0109247175       17.3043393695
  C        12.7558891359       11.6799401439       16.2639062966
  C        13.2455009743       10.3740892858       16.0827196640
  C        12.7837444261        9.4101589056       17.0047813660
  B        14.1596057761        9.9784930674       14.7743012349
  C        15.1640094104       11.1831643300       14.3067655175
  C        15.7860173195       12.0336826771       15.2360163179
  C        16.7085680259       13.0113759844       14.8431985583
  C        17.0835621538       13.1477920390       13.5014256828
  C        16.4995893341       12.2885219006       12.5631607162
  C        15.5518475083       11.3385871628       12.9625993404
  C        16.8407616168       12.3974687932       11.0992000888
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  F        15.7532647689       12.8161445233       10.3451836044
  F        17.2352135989       11.1917649574       10.5622602050
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  F        18.1480974872       14.8377664972       15.4060637667
  F        17.8393399005       13.2540690500       16.9361457429
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  C        12.4468536664       10.6699257154       12.8515160425
  C        11.4578668756       10.4131458748       11.8921147263
  C        11.0152937859        9.1117208529       11.6578157597
  C        11.6037724789        8.0758943203       12.3844538746
  C        12.6079097420        8.3307664294       13.3236976017
  C        11.0270120560        6.6974674775       12.2308329124
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  F        11.9237790679        5.6902161924       12.4656290761
  F        10.0057011531        6.4974902255       13.1318664034
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  F        10.6252178953       12.6606622234       11.7433293987
  F        11.7682011349       11.8893044922       10.0453563559
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  C        15.8684661362        8.5744783310       16.2913876798
  C        16.8126082464        7.5579105626       16.4675429135
  C        17.1105359265        6.6608893051       15.4385048119
  C        16.4853884367        6.8302451482       14.2107618201
  C        15.5697036909        7.8711179958       14.0197195292
  C        17.4862126764        7.2665161837       17.7735186750
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  F        16.7938781857        6.3139853085       18.4811376730
  F        18.7605559943        6.7888727543       17.5417951426
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  F        10.7856109992       13.6686410306       18.6255536280
  F        10.4801502854       13.7352965770       16.4310449073
  F        12.4012370146       14.3388445928       17.3058120886
  F        17.6332675912        4.8723116683       13.4889937442
  F        17.3775549261        6.5263920533       12.0305584210
  F        15.6560157251        5.2713024033       12.6113556635
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  H        10.7061075062       11.2905870092       18.9733053794
  H        13.0606814022       12.4659621601       15.5736521673
  H        13.1224236596        8.3804648996       16.9147077941
  H        15.5438193519       11.9382178765       16.2939847482
  H        17.7937661834       13.9104528569       13.1975158211
  H        15.0980885230       10.7040715599       12.2032090765
  H        12.7471945541       11.7034264257       13.0268631502
  H        10.2148463926        8.9107447032       10.9527209058
  H        13.0398693111        7.4883036100       13.8585273866
  H        15.6551306002        9.2445059091       17.1228721863
  H        17.8101355795        5.8496462000       15.5980585831
  H        15.1271881342        7.9973019588       13.0310846053
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  F         3.3551860179       17.0880038579       18.6345656474
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  C         4.1841032700       19.0325839966       16.8551875693
  C         4.6866102465       20.0125721161       15.9788274318
  C         4.2599711281       21.3315796679       16.2181865700
  C         3.4421294338       21.6641743450       17.3062711518
  C         2.9921330997       20.6864149424       18.1894881527
  C         2.9246719925       23.0647453513       17.4359769084
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  F         3.9022697656       24.0253831566       17.3051128134
  F         1.9929350319       23.2938898382       16.4321275543
  B         5.6125007394       19.6418109841       14.6719842539
  C         6.6666997546       18.4295132577       14.9667870259
  C         7.2853452325       18.2964470754       16.2225679130
  C         8.2457133971       17.3118409369       16.4692692532
  C         8.6311741927       16.4103477164       15.4765845216
  C         8.0544524293       16.5481503081       14.2144110079
  C         7.1085067016       17.5505915043       13.9613747698
  C         8.4241095493       15.5982624682       13.1147115686
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  F         9.2154359100       14.5696805906       13.5621440271
  F         9.1081149306       16.2277202264       12.1001882879
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  F        10.0140627465       16.5640244067       17.8931798851
  F         7.9543400216       16.3795421724       18.6296449991
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  C         7.1993902698       21.7127600917       15.2306653254
  C         8.1665171772       22.6654585670       14.8912657058
  C         8.6094591019       22.8049812093       13.5725257505
  C         8.0454435174       21.9705215631       12.6071286200
  C         7.0822497324       21.0174058571       12.9511014017
  C         8.4058120866       22.1106332095       11.1593528801
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  F         9.3807524999       23.0316508753       10.9268746312
  F         7.3259432763       22.5143325799       10.4095897107
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  F         9.6020239527       24.4689928100       15.4766944710
  F         7.6879314257       24.3576353078       16.5044125769
  F         9.2712951336       22.8896649552       17.0038852990
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  C         4.0588138700       17.9751651911       13.2690436314
  C         3.0928896706       17.6916933715       12.2918804787
  C         2.5778185815       18.7052235235       11.4829975825
  C         3.0302533102       20.0129062251       11.6930789882
  C         3.9912104437       20.2897075460       12.6692966017
  C         2.4032148913       21.1112148457       10.8827593280
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  F         1.0939712778       21.3322911067       11.2593041973
  F         3.0376113524       22.3174396957       10.9973552693
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  F         1.9324712402       16.0516193425       10.9840079408
  F         3.4286529661       15.3127778586       12.3965305878
  F         1.5231438185       16.1215608151       13.1299428791
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  H         4.5666685540       22.1250807009       15.5340049208
  H         2.3546411435       20.9491235675       19.0297805436
  H         7.0158988102       18.9772211202       17.0287065566
  H         9.3472241044       15.6222297817       15.6862609670
  H         6.7038655810       17.6410356745       12.9541460087
  H         6.8865553343       21.6394997291       16.2716416669
  H         9.3540818592       23.5479303718       13.3060234411
  H         6.6781018324       20.3816070375       12.1655899776
  H         4.4343270985       17.1564234369       13.8825007559
  H         1.8409990510       18.4803904818       10.7164822180
  H         4.3173135867       21.3196213105       12.8005350390
  F        15.6172857569        1.2757245604       -0.2918780694
  C        15.6605787514        1.6662147110        1.0290764996
  F        16.9911524357        1.8958755308        1.3183879854
  F        15.0492821974        2.8831475471        1.1006882946
  C        15.0694321499        0.6098040315        1.9272080919
  C        14.2520288107        0.9261944151        3.0198394380
  C        13.7564740928       -0.0698958061        3.8905704482
  C        14.2035510685       -1.3807564633        3.6593665339
  C        15.0035760825       -1.7057514213        2.5601600465
  C        15.4246559066       -0.7206076405        1.6664648841
  C        15.4674926716       -3.1199073145        2.3844310064
  F        16.0481647796       -3.3178739682        1.1724455065
  F        14.4476139589       -4.0432922339        2.4971003765
  F        16.4089138234       -3.4517172566        3.3560020964
  B        12.8019211895        0.2589801535        5.1793648192
  C        11.7315114916        1.4608186207        4.8666029812
  C        11.1201234413        1.5652141790        3.5999703377
  C        10.1455234530        2.5317641088        3.3263289946
  C         9.7283535666        3.4313700126        4.3127695066
  C        10.3090918163        3.3360340989        5.5744154552
  C        11.2846744768        2.3645226211        5.8474190068
  C         9.9371132204        4.3041321275        6.6585935294
  F        11.0534990164        4.8849198160        7.1934630877
  F         9.1280715443        5.3299062283        6.2345381820
  F         9.3014881328        3.6786843027        7.7018802813
  C         9.6268829460        2.7126120003        1.9314901775
  F         9.4964435210        1.5299068185        1.2483571052
  F         8.4057285484        3.3403875447        1.9057875831
  F        10.4676261630        3.4709223629        1.1702318448
  C        11.8175059556       -0.9940787289        5.5663338613
  C        11.2928476451       -1.8843552560        4.6101337564
  C        10.3097112167       -2.8264031311        4.9345229160
  C         9.8253386904       -2.9450412941        6.2403126087
  C        10.3457863838       -2.0817641056        7.2028573351
  C        11.3121628556       -1.1256152984        6.8709569978
  C         9.9450023149       -2.1911145203        8.6414448666
  F         9.5858418294       -0.9749874187        9.1683347628
  F         8.9064067722       -3.0507655627        8.8713208509
  F        11.0138548576       -2.6153211530        9.3948420759
  C         9.7562904221       -3.7032462244        3.8518180178
  F         8.8176848367       -4.5683951760        4.3255803033
  F        10.7205248080       -4.4548920957        3.2266878352
  F         9.1427193738       -2.9680502505        2.8581323920
  C        13.8611382310        0.6090628710        6.3752281618
  C        14.3514291222        1.9078697179        6.5901389847
  C        15.3214581573        2.1887378444        7.5631280701
  C        15.8457843578        1.1765521349        8.3638583694
  C        15.4100366072       -0.1312835264        8.1254040108
  C        14.4460077313       -0.4093347956        7.1540401063
  C        16.0243044929       -1.2308152342        8.9314602685
  F        16.0426368917       -0.8780702774       10.2677956205
  F        17.3292882135       -1.4920659643        8.5818728023
  F        15.3727545535       -2.4179377094        8.8061573053
  C        15.8740668984        3.5788611016        7.6514931303
  F        16.4726369884        3.8598441323        8.8526260391
  F        14.9153219493        4.5293715090        7.4135720849
  F        16.8248678186        3.7863597841        6.6744970451
  H        13.9996522983        1.9699344521        3.2016864485
  H        13.9205513966       -2.1725386708        4.3521577392
  H        16.0281390215       -0.9808481193        0.8011689847
  H        11.4147964459        0.8752838661        2.8098068886
  H         8.9842957847        4.1916649067        4.0952473131
  H        11.7097219434        2.3244256976        6.8495433608
  H        11.6525220239       -1.8480607517        3.5824021360
  H         9.0834564777       -3.6928681117        6.5015914632
  H        11.6769806296       -0.4643387378        7.6552874943
  H        13.9740897092        2.7293757060        5.9837206267
  H        16.5708191477        1.3971444668        9.1441335344
  H        14.1470128375       -1.4447770228        7.0021999290
  H        10.7794802208       11.7930261103        4.7952846120
  H        11.6620811830       10.1031427643        3.1871258272
     646
 i =       72, E =         0.0010777431
 Rh         3.6277619548        0.2324536057        4.8167206421
  P         5.3846288497        0.6382295395        6.2774756502
  C         5.2403585464       -0.2771103779        7.8771678790
  C         4.8132753397       -1.7414812945        7.6752379891
  C         4.5355463037       -2.4135268010        9.0299917496
  C         5.7189984658       -2.2752339985        9.9997738944
  C         6.1936930084       -0.8214936311       10.1441258082
  C         6.4810674812       -0.1723552220        8.7791629789
  C         5.6740714138        2.4021449662        6.7887880106
  C         4.6631576197        2.8076492708        7.8873310152
  C         4.5978983692        4.3208995125        8.1599427848
  C         4.5284155543        5.1425549055        6.8697414594
  C         5.7184006934        4.7913745212        5.9740364522
  C         5.6115966900        3.3218267376        5.5526159283
  C         6.9957218736        0.0926432017        5.5060950230
  C         6.9581256960        0.2327793720        3.9769510685
  P         5.3007074372       -0.2376364315        3.2775172740
  C         5.4370468578       -2.0264072758        2.7677863874
  C         4.3208546580       -2.4129605050        1.7767719774
  C         4.3753871661       -3.9056787839        1.4332638003
  C         4.2279187045       -4.7569818750        2.6955886842
  C         5.3452577097       -4.4308682570        3.6918006346
  C         5.3912539266       -2.9277831774        4.0228455274
  C         5.1705960346        0.7171442373        1.6978058761
  C         4.9019729105        2.2191913362        1.9167375155
  C         4.4339902822        2.8347816587        0.5877887221
  C         5.4751758846        2.6287580911       -0.5254722635
  C         5.9149095818        1.1594797760       -0.6558179023
  C         6.3322349743        0.5553004591        0.6990624192
  C         1.8711787394        0.3104609047        3.4647671134
  C         1.8987156774       -0.9449432647        4.0776542978
  C         1.0577097189       -0.8345325169        5.3605601084
  C         1.9157573095        0.0928804980        6.2475217190
  C         1.8835178891        1.3495635130        5.6407985847
  C         1.0075219597        1.2075942905        4.3782294359
  C        -0.0299366047        0.1705792210        4.8919297344
  H         4.4085964977        0.2403561517        8.3823723085
  H         5.6000644013       -2.2920386863        7.1393663698
  H         3.9181729342       -1.7779935338        7.0368676756
  H         4.2987780616       -3.4751721619        8.8745063844
  H         3.6375121107       -1.9586737417        9.4713058154
  H         5.4401974351       -2.6788654656       10.9835347913
  H         6.5560435855       -2.8896345944        9.6422797388
  H         7.1001652699       -0.7773865847       10.7655209978
  H         5.4215805308       -0.2307111072       10.6614913402
  H         6.7878961873        0.8724333028        8.9185859928
  H         7.3277438428       -0.6814061261        8.3020776361
  H         6.6941230401        2.4537477543        7.2022018566
  H         4.9188242463        2.2924702165        8.8230609639
  H         3.6618293526        2.4512024860        7.6082656142
  H         5.4863319145        4.6328552254        8.7272894425
  H         3.7315125459        4.5240180679        8.8053927471
  H         4.4998756718        6.2142329674        7.1062361199
  H         3.5970523646        4.9231727479        6.3265285843
  H         6.6538541451        4.9472004168        6.5295780907
  H         5.7712871133        5.4373507136        5.0893697436
  H         6.4047691768        3.0578447091        4.8388550392
  H         4.6556406731        3.1609088958        5.0275340085
  H         7.8315117437        0.6627744379        5.9358979076
  H         7.1447272738       -0.9577130420        5.7936913421
  H         7.7589525481       -0.3449767364        3.4929087319
  H         7.1037962035        1.2830989100        3.6882135241
  H         6.4110431995       -2.1482243588        2.2651320134
  H         4.3713698206       -1.8098031539        0.8617155497
  H         3.3425525994       -2.2024781527        2.2252316562
  H         5.3304079756       -4.1359980765        0.9385438066
  H         3.5821233560       -4.1388335965        0.7128602237
  H         4.2293218529       -5.8254678443        2.4392652157
  H         3.2467726945       -4.5604674413        3.1536029833
  H         5.2072596578       -4.9913292634        4.6286914688
  H         6.3111502091       -4.7499968596        3.2740771301
  H         6.2562766154       -2.7219505966        4.6697208943
  H         4.4966392357       -2.6549995900        4.6062346962
  H         4.2660953310        0.2923870450        1.2321065121
  H         5.8277030442        2.7154486375        2.2461774389
  H         4.1581346140        2.3752799122        2.7120870923
  H         4.2201681303        3.9048149377        0.7146878883
  H         3.4833296037        2.3606993229        0.3016763225
  H         6.3561521934        3.2515871545       -0.3140477281
  H         5.0698591423        2.9855338826       -1.4835289669
  H         6.7452018225        1.0780367657       -1.3726669249
  H         5.0847290846        0.5614483888       -1.0644855144
  H         7.2113699558        1.0891050845        1.0805026870
  H         6.6321389384       -0.4927266884        0.5734417051
  H         2.1246974308        0.5425313270        2.4340269106
  H         2.1785839461       -1.8931120343        3.6297291343
  H         0.7424956144       -1.7805179572        5.8078398779
  H         2.1819676108       -0.1265805179        7.2775542438
  H         2.1272896701        2.3018802109        6.1025441457
  H         0.6419880790        2.1374753256        3.9356562901
  H        -0.6364919702        0.5521016782        5.7190325644
  H        -0.6723899688       -0.2282397351        4.1016887687
 Rh        14.7191511131       19.6374877082       14.9639073307
  P        12.9379575975       19.1999724285       13.5215085808
  C        13.1032839143       20.1875821983       11.9629999472
  C        13.4985958110       21.6541114829       12.2137090979
  C        13.8436488954       22.3434153049       10.8830242743
  C        12.6900857614       22.2430494975        9.8749286227
  C        12.2668932994       20.7824359369        9.6604108063
  C        11.9221395147       20.0804132925       10.9868927972
  C        12.6373312639       17.4621367165       12.9202814765
  C        13.6486020800       17.0381708438       11.8326076689
  C        13.5789239470       15.5307249284       11.5395325786
  C        13.7894898762       14.7247871413       12.8242232241
  C        12.6797444342       15.0467524168       13.8293376479
  C        12.6602921514       16.5454009241       14.1624390230
  C        11.3172344347       19.6564463147       14.3526268190
  C        11.4194493799       19.6845527964       15.8907129412
  P        13.1010957006       20.1768822138       16.5258188088
  C        12.9556646243       21.9797221489       16.9675066229
  C        13.9868306994       22.4595465698       18.0144675733
  C        14.0111801560       23.9960003823       18.1575375397
  C        14.0753409379       24.7362765673       16.8165418889
  C        12.9336496819       24.2834825748       15.9055215188
  C        13.0743219573       22.7799415369       15.6545422988
  C        13.3187329323       19.2280075726       18.1044503693
  C        13.5696844313       17.7365556318       17.8069220203
  C        14.0390454445       17.0185976095       19.0788563875
  C        13.0137604609       17.1630906853       20.2145150155
  C        12.6131993045       18.6304800653       20.4568080038
  C        12.2131713663       19.3772134078       19.1649702706
  C        16.4296295714       19.6455578115       16.3527065562
  C        16.4570151791       20.8336536143       15.6129645165
  C        17.3335852640       20.5613267781       14.3754768760
  C        16.4668835700       19.5743289311       13.5612103497
  C        16.4358802618       18.3882170760       14.2964651353
  C        17.2843324366       18.6310660792       15.5630145002
  C        18.3729619902       19.5796813816       14.9860226726
  H        13.9733231730       19.7000192134       11.4917952007
  H        12.6736996987       22.1892631441       12.7054757476
  H        14.3552238052       21.6913854565       12.9033155713
  H        14.1135210951       23.3931378743       11.0609144915
  H        14.7378064017       21.8605745298       10.4623953042
  H        12.9875235570       22.6962325502        8.9184570764
  H        11.8294901427       22.8232546819       10.2364128483
  H        11.4036393837       20.7242941016        8.9817625306
  H        13.0926434995       20.2378150776        9.1759056731
  H        11.6631442327       19.0319734906       10.7943386778
  H        11.0305532186       20.5428072235       11.4280345590
  H        11.6289229844       17.4453026715       12.4751039179
  H        13.4638564131       17.6019458397       10.9080538328
  H        14.6716290039       17.2907557033       12.1480301047
  H        12.5975677756       15.2788772970       11.1107664157
  H        14.3278381943       15.2699140195       10.7784874767
  H        13.8261139559       13.6486037347       12.6074913328
  H        14.7674706824       14.9790307551       13.2608999970
  H        11.7109843120       14.7319526856       13.4176791706
  H        12.8219611175       14.4915795455       14.7661618060
  H        11.7977359394       16.7790950103       14.8051926967
  H        13.5584013667       16.7890981318       14.7519137954
  H        10.5457063145       18.9372598428       14.0418352618
  H        11.0061466720       20.6351871152       13.9622513828
  H        10.6499568173       20.3351706612       16.3305416400
  H        11.2504762731       18.6776358550       16.2963690249
  H        11.9429734987       22.1272478259       17.3751490909
  H        13.7600613238       22.0201766248       18.9967043391
  H        14.9926831784       22.1061805617       17.7493292400
  H        13.1089603647       24.3234138505       18.6930718451
  H        14.8657860675       24.2796754995       18.7864145561
  H        14.0408518511       25.8198365601       16.9908776534
  H        15.0357425384       24.5470884110       16.3149902602
  H        12.9342252366       24.8221497443       14.9487356698
  H        11.9653488331       24.4899676050       16.3833201262
  H        12.3387621888       22.4264593144       14.9201909247
  H        14.0638445317       22.5810091763       15.2118176212
  H        14.2464704091       19.6495494130       18.5272423957
  H        12.6370761847       17.2739094767       17.4488781587
  H        14.3059748226       17.6284178090       16.9953999365
  H        14.2231067220       15.9565573658       18.8608205508
  H        15.0061069058       17.4430484744       19.3881832873
  H        12.1204661367       16.5692767520       19.9729246270
  H        13.4224379662       16.7359915873       21.1417076330
  H        11.7795390526       18.6722765213       21.1735543565
  H        13.4569580640       19.1615764275       20.9246055796
  H        11.2702395268       18.9678296581       18.7788930080
  H        12.0252516891       20.4336578115       19.3938983056
  H        16.1548632391       19.5344554718       17.3969945431
  H        16.1919717023       21.8296053252       15.9575448382
  H        17.6970318434       21.4416702329       13.8395624137
  H        16.2256648989       19.6951677243       12.5092883988
  H        16.1501284235       17.4027443461       13.9384419275
  H        17.5987749457       17.7401827518       16.1117779854
  H        19.0038373336       19.0987133577       14.2303210491
  H        18.9949393937       20.0421831061       15.7611322182
 Rh         5.9876160813       10.0718151228       14.9885091259
  P         4.1717530521        9.5784628700       13.6317098079
  C         3.7389303480        7.8405865647       13.1045980911
  C         3.6472566020        6.8877318477       14.3189912407
  C         3.6409701203        5.4072279441       13.8990588068
  C         4.8573064795        5.0843999935       13.0286531439
  C         4.7739694437        5.8936293467       11.7347915605
  C         4.7521799124        7.3998921765       12.0279365254
  C         2.5956553508       10.2161817445       14.3881407791
  C         2.6667314941       10.1264394319       15.9155029645
  P         4.3559546553       10.6215936846       16.5188805201
  C         4.1374483543       12.3854653207       17.0424393264
  C         3.9752181068       13.2827127439       15.7951233610
  C         4.0661305462       14.7778229417       16.1303895374
  C         5.3791899193       15.0688642075       16.8612028502
  C         5.4137344012       14.2940320447       18.1798948266
  C         5.3120684518       12.7833059269       17.9580654389
  C         4.6056480081        9.6828116365       18.0840270819
  C         4.9681422592        8.2089772013       17.8214353809
  C         5.2467267360        7.4969446951       19.1523360969
  C         4.0299469419        7.5941679720       20.0845167222
  C         3.4027681994        9.8091601376       19.0297027706
  C         3.6585996768        9.0613613522       20.3454802813
  C         4.3840957302       10.5313297911       12.0614369197
  C         4.7074569356       12.0150355359       12.3268356036
  C         4.9769527621       12.7669449786       11.0119692155
  C         3.8503813733       12.5757911810        9.9840237416
  C         3.5042727173       11.0952859826        9.7732010249
  C         3.2020318140       10.3815183992       11.0983826316
  C         7.8502283904       11.1897304724       15.5466131616
  C         7.5964481140        8.6926709627       14.3520248784
  C         8.5077217435        8.9309504183       15.5742594541
  C         9.6409661194        9.7642839978       14.9141341694
  C         8.6554003876       10.7934443828       14.2916099148
  C         7.7659896242       10.0476678312       16.3417300428
  C         7.6867819301        9.8388225158       13.5588594265
  H         2.7371539154        7.9061643203       12.6488089263
  H         4.5005324150        7.0586266636       14.9927079784
  H         2.7405768594        7.1143323861       14.9003936750
  H         2.7273589031        5.1722394727       13.3361743335
  H         3.6166838515        4.7856917605       14.8011928624
  H         5.7807137858        5.3339314687       13.5734191108
  H         4.9174807957        4.0106295838       12.8062127513
  H         5.6223899160        5.6794994578       11.0710827201
  H         3.8678744109        5.6005679570       11.1859197255
  H         4.5328229482        7.9425868118       11.1027099427
  H         5.7629189681        7.7075594660       12.3312749053
  H         2.4856884922       11.2608215128       14.0666778553
  H         1.7328911151        9.6645643440       13.9898647618
  H         1.9031809336       10.7547041121       16.3954652819
  H         2.4972015211        9.0934658611       16.2483369410
  H         3.2018766453       12.4374161244       17.6218412129
  H         4.7585980667       13.0355772231       15.0626946047
  H         3.0123509186       13.0642814187       15.3121590527
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  H        11.5834982907        7.3274953042        5.3085434836
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  F         7.3493368448       10.8238705444       -0.2336429657
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  C         7.0522636005        8.8546637622        1.7099389646
  C         6.4535798032        7.8489053046        2.4618710966
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  C         5.1349524914        9.4812033910        3.7501909704
  C         5.7102459708       10.4790132847        2.9326636395
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  C         2.5640636625        7.8663900358        4.6534207326
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  C         1.5890679808        7.5210505584        8.7943274148
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  F         0.1930407732        5.0733759876        4.3300397281
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  F         1.8944825339       13.1564835512        1.0965410502
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  F         7.4993532848        5.8840387001        3.2982541617
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  H         3.1597369176       11.8948643108        6.8165314272
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  F        11.2165792407        9.0170513614       20.2254142523
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  C        11.4184652313       11.0383188449       18.1919559731
  C        11.8776458748       12.0105338118       17.3044709121
  C        12.7566959624       11.6802766864       16.2638842679
  C        13.2456461435       10.3738963482       16.0827756965
  C        12.7835649159        9.4101219274       17.0037238103
  B        14.1586598299        9.9788688454       14.7735298702
  C        15.1641562562       11.1834874660       14.3062255274
  C        15.7852895569       12.0345532813       15.2355359094
  C        16.7083158985       13.0117960079       14.8427533687
  C        17.0838413130       13.1483461070       13.5014784943
  C        16.4998863166       12.2885915696       12.5631754390
  C        15.5525389484       11.3385209520       12.9623388699
  C        16.8392831661       12.3976969412       11.0979551869
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  F        15.7540486527       12.8158393380       10.3463032772
  F        17.2355606228       11.1910530994       10.5624185611
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  F        18.1479501228       14.8378450941       15.4061473402
  F        17.8394106310       13.2539356777       16.9362849343
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  C        12.4473486294       10.6704585787       12.8518442636
  C        11.4574284390       10.4142290011       11.8911163789
  C        11.0165394266        9.1109966890       11.6571685702
  C        11.6023578439        8.0726549299       12.3839450156
  C        12.6057564569        8.3310006601       13.3235231311
  C        11.0280415125        6.6993725282       12.2313290082
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  F        11.9224412461        5.6911725523       12.4648929048
  F        10.0064194491        6.4971804810       13.1309530655
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  F        10.6229023675       12.6627208759       11.7456597932
  F        11.7639310495       11.8841223743       10.0516020038
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  C        15.8686846440        8.5732941098       16.2910722381
  C        16.8125152343        7.5578269248       16.4676679013
  C        17.1103376146        6.6613732213       15.4381766051
  C        16.4838930876        6.8318011209       14.2113038738
  C        15.5685353530        7.8718506224       14.0183502596
  C        17.4857705541        7.2659916216       17.7714792567
  F        17.6142515731        8.3296108788       18.6238667865
  F        16.7940741108        6.3139581144       18.4817252278
  F        18.7604743743        6.7889796530       17.5419677621
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  F        10.4797636514       13.7350691411       16.4306993463
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  F        17.3759349712        6.5268424705       12.0287567269
  F        15.6567957302        5.2687160524       12.6115810211
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  H        10.7074225170       11.2906486553       18.9739983883
  H        13.0619715741       12.4659296488       15.5742705644
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  H        15.5420356296       11.9400981988       16.2930846289
  H        17.7940003502       13.9107293951       13.1972748102
  H        15.0996407035       10.7034244338       12.2025812061
  H        12.7469142988       11.7029946950       13.0264000276
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  H        13.0382564526        7.4882914503       13.8617218587
  H        15.6539134165        9.2441859594       17.1233421638
  H        17.8109986006        5.8490453811       15.5979465136
  H        15.1280172164        7.9964538758       13.0323151522
  F         2.7332177613       18.6332176172       20.1093182194
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  F         3.3618658909       17.0877074677       18.6325709990
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  C         4.1840692484       19.0341653763       16.8546268523
  C         4.6888445032       20.0153955198       15.9757338439
  C         4.2609535337       21.3324081313       16.2173645553
  C         3.4427123468       21.6649929938       17.3050636662
  C         2.9916283592       20.6872339294       18.1882713160
  C         2.9241821440       23.0655800399       17.4359902565
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  F         3.9024965420       24.0243302391       17.3050929311
  F         1.9936273716       23.2925674922       16.4324022065
  B         5.6117817547       19.6417588181       14.6727095767
  C         6.6669267216       18.4283286655       14.9669372962
  C         7.2844558688       18.2958902999       16.2223967300
  C         8.2451068570       17.3118784788       16.4685560225
  C         8.6313985827       16.4103028953       15.4763987956
  C         8.0539675987       16.5483535091       14.2152129970
  C         7.1075596340       17.5496783751       13.9612734926
  C         8.4239035978       15.5983289838       13.1141399439
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  F         9.2157996562       14.5691200323       13.5623502721
  F         9.1084172234       16.2278350906       12.1003501628
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  F        10.0147844607       16.5636527193       17.8929213474
  F         7.9536140793       16.3790843939       18.6304321322
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  C         7.1996438213       21.7127300503       15.2306768012
  C         8.1663291486       22.6656743124       14.8912302829
  C         8.6088450589       22.8055388835       13.5723891491
  C         8.0453086537       21.9708802909       12.6066625880
  C         7.0823346500       21.0175580943       12.9509095527
  C         8.4059006817       22.1107311184       11.1592798846
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  F         9.3806299917       23.0316315166       10.9271723486
  F         7.3255600679       22.5143577982       10.4096137014
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  F         9.6021046111       24.4691571548       15.4766200379
  F         7.6880003055       24.3574994923       16.5044842940
  F         9.2710672790       22.8896814027       17.0038370750
  C         4.5496869325       19.2784928281       13.4768311492
  C         4.0586809530       17.9756344438       13.2693823576
  C         3.0925090098       17.6914372978       12.2924061918
  C         2.5771530189       18.7052523344       11.4838307938
  C         3.0297022247       20.0139308657       11.6934804604
  C         3.9905482493       20.2900528134       12.6697416380
  C         2.4041423749       21.1132575095       10.8835844040
  F         2.3720473751       20.7822231961        9.5392401365
  F         1.0935906117       21.3322782436       11.2597786013
  F         3.0361927781       22.3154023881       10.9977511202
  C         2.5107792937       16.3079955156       12.1865233513
  F         1.9326354370       16.0517552388       10.9842917667
  F         3.4286716475       15.3129288144       12.3968076706
  F         1.5236335760       16.1215845731       13.1299161700
  H         4.4312100500       17.9856665257       16.6894865844
  H         4.5668402891       22.1236604081       15.5361052089
  H         2.3536134933       20.9475128318       19.0288187492
  H         7.0147177609       18.9761306879       17.0288181824
  H         9.3478820218       15.6226539499       15.6859593052
  H         6.7024605337       17.6393133502       12.9545745847
  H         6.8869688103       21.6392312344       16.2714130173
  H         9.3529113232       23.5490813924       13.3055054164
  H         6.6779779830       20.3816277360       12.1652653182
  H         4.4339367907       17.1569648763       13.8823345826
  H         1.8393181306       18.4810736540       10.7172500703
  H         4.3163527140       21.3201658344       12.8011787661
  F        15.6191357785        1.2738431186       -0.2931056067
  C        15.6607050215        1.6667762628        1.0291166484
  F        16.9902814807        1.8954929482        1.3191805347
  F        15.0492480878        2.8839237338        1.1023919632
  C        15.0697967384        0.6098980594        1.9272183200
  C        14.2512634768        0.9260556229        3.0191984751
  C        13.7557282851       -0.0700659411        3.8901120722
  C        14.2028235762       -1.3806027548        3.6586309383
  C        15.0037720618       -1.7054125855        2.5597878513
  C        15.4257700177       -0.7201478458        1.6665910946
  C        15.4675687847       -3.1209653109        2.3849990115
  F        16.0483115253       -3.3175821046        1.1719694824
  F        14.4479201621       -4.0425514757        2.4968097660
  F        16.4086621377       -3.4511146345        3.3556063268
  B        12.8018305342        0.2594681310        5.1788134301
  C        11.7311464994        1.4619882895        4.8657020574
  C        11.1200258553        1.5663992655        3.5992240243
  C        10.1458494774        2.5326458496        3.3269141762
  C         9.7281325498        3.4322502399        4.3118070130
  C        10.3092444171        3.3360438060        5.5729708759
  C        11.2851004573        2.3646856956        5.8467141213
  C         9.9370580298        4.3052042562        6.6593694546
  F        11.0537340163        4.8849436179        7.1933930630
  F         9.1283080506        5.3297224094        6.2343797014
  F         9.3014425708        3.6785810054        7.7019882866
  C         9.6243148747        2.7101153399        1.9340793319
  F         9.4969948212        1.5318396074        1.2489914146
  F         8.4051071866        3.3394700156        1.9046694071
  F        10.4705002223        3.4727608587        1.1659554432
  C        11.8166246064       -0.9932707983        5.5656960486
  C        11.2917256770       -1.8828795422        4.6095151405
  C        10.3093144484       -2.8255967272        4.9343437683
  C         9.8251191534       -2.9443934621        6.2400836047
  C        10.3456708280       -2.0812272759        7.2028076257
  C        11.3117783564       -1.1251687560        6.8708908910
  C         9.9456141931       -2.1904307974        8.6413664925
  F         9.5861060607       -0.9750237054        9.1683170730
  F         8.9059567034       -3.0514420245        8.8712638129
  F        11.0137001042       -2.6152280420        9.3946328522
  C         9.7560854319       -3.7030476549        3.8518560275
  F         8.8177790765       -4.5683799505        4.3253706897
  F        10.7206562896       -4.4547223169        3.2269982051
  F         9.1427965195       -2.9681651675        2.8577492282
  C        13.8609462295        0.6091789267        6.3748226610
  C        14.3511614072        1.9082713329        6.5896272477
  C        15.3216850712        2.1882833722        7.5626920473
  C        15.8467708188        1.1767838430        8.3626861719
  C        15.4099000926       -0.1313318798        8.1244701999
  C        14.4455565031       -0.4086594614        7.1538334840
  C        16.0243116352       -1.2305325157        8.9311952192
  F        16.0426962484       -0.8778629931       10.2678414290
  F        17.3295965166       -1.4919576197        8.5815650066
  F        15.3724636669       -2.4183386525        8.8059260311
  C        15.8740626730        3.5794434938        7.6512113858
  F        16.4725342812        3.8596883187        8.8522669659
  F        14.9155779789        4.5291359469        7.4135407803
  F        16.8249569822        3.7865340108        6.6743396600
  H        13.9979056602        1.9699270650        3.2006684116
  H        13.9191733228       -2.1729881172        4.3507975349
  H        16.0303224906       -0.9798971842        0.8025127230
  H        11.4147501815        0.8767270507        2.8086898035
  H         8.9849030148        4.1925211545        4.0953984124
  H        11.7100541921        2.3245562076        6.8491280182
  H        11.6503682492       -1.8457637974        3.5819074683
  H         9.0831755895       -3.6921452598        6.5016251333
  H        11.6772674243       -0.4638295180        7.6552750501
  H        13.9736625320        2.7299938400        5.9835945934
  H        16.5724903628        1.3968705476        9.1415632234
  H        14.1455777766       -1.4443998316        7.0023549302
  H        10.7812460196       11.7914921310        4.7949669362
  H        11.6594421653       10.1013946096        3.1847935813
     646
 i =       73, E =         0.0118125883
 Rh         3.6283973458        0.2327290150        4.8166605182
  P         5.3846584384        0.6382855721        6.2777242581
  C         5.2394526762       -0.2782218292        7.8768103898
  C         4.8141013161       -1.7430737002        7.6751354137
  C         4.5358604931       -2.4142540330        9.0300574750
  C         5.7194382024       -2.2768566010        9.9996141441
  C         6.1934507666       -0.8229508682       10.1437226049
  C         6.4798225645       -0.1733584120        8.7789507247
  C         5.6740077033        2.4023676134        6.7893808414
  C         4.6623431829        2.8081882403        7.8869819379
  C         4.5986065690        4.3212774523        8.1601864133
  C         4.5288247463        5.1434733813        6.8704213705
  C         5.7174836685        4.7919642518        5.9732056617
  C         5.6123660459        3.3219776331        5.5531165375
  C         6.9958100938        0.0924545078        5.5068335539
  C         6.9588961495        0.2323276121        3.9775852644
  P         5.3010409532       -0.2376156767        3.2783002230
  C         5.4375885456       -2.0263711403        2.7689195524
  C         4.3226209947       -2.4123136219        1.7763218446
  C         4.3753637127       -3.9052275760        1.4342945504
  C         4.2284913241       -4.7568010614        2.6966265950
  C         5.3463599135       -4.4307497599        3.6923004927
  C         5.3918631503       -2.9278297634        4.0240626631
  C         5.1686688565        0.7166335213        1.6983237891
  C         4.8999878679        2.2186894680        1.9170366655
  C         4.4340909976        2.8350071008        0.5876800255
  C         5.4758175437        2.6290612652       -0.5248689886
  C         5.9143808811        1.1595405523       -0.6554563039
  C         6.3298644631        0.5539694181        0.6993459815
  C         1.8714275265        0.3107464509        3.4650764267
  C         1.8990295833       -0.9446242271        4.0784289979
  C         1.0583600660       -0.8335935724        5.3617612764
  C         1.9170631839        0.0939133734        6.2480588642
  C         1.8850102020        1.3501820343        5.6408769159
  C         1.0084506863        1.2083338391        4.3789437091
  C        -0.0288634923        0.1713974523        4.8921726544
  H         4.4068729238        0.2386311133        8.3817413948
  H         5.6024405802       -2.2929485288        7.1406652775
  H         3.9196984569       -1.7816859125        7.0354974379
  H         4.2971161352       -3.4758054133        8.8752909518
  H         3.6387167050       -1.9577050389        9.4716174570
  H         5.4405138080       -2.6803359110       10.9835060922
  H         6.5564168302       -2.8915489349        9.6423888746
  H         7.1000681676       -0.7778341182       10.7650329633
  H         5.4207441253       -0.2329667682       10.6612992666
  H         6.7868118377        0.8714768729        8.9184290984
  H         7.3263586302       -0.6823207956        8.3010408584
  H         6.6938385594        2.4539694200        7.2037220509
  H         4.9161646138        2.2920549088        8.8227808146
  H         3.6609289176        2.4531021614        7.6064449216
  H         5.4875510223        4.6323114529        8.7272616400
  H         3.7326232541        4.5249698175        8.8062745083
  H         4.5018461869        6.2151303498        7.1075459581
  H         3.5964950019        4.9256576179        6.3281671671
  H         6.6538554530        4.9500418685        6.5267393891
  H         5.7677711468        5.4368758008        5.0874926840
  H         6.4069994945        3.0585381605        4.8404766437
  H         4.6574138040        3.1597844088        5.0265575137
  H         7.8317833621        0.6622088993        5.9370795724
  H         7.1443058617       -0.9579394629        5.7944807383
  H         7.7593211417       -0.3462194920        3.4942413988
  H         7.1057421199        1.2826438366        3.6886218003
  H         6.4120222667       -2.1482823640        2.2670561167
  H         4.3772586292       -1.8105718487        0.8605152501
  H         3.3433445107       -2.1984725752        2.2216725794
  H         5.3298237253       -4.1363601608        0.9388149400
  H         3.5813134170       -4.1382735007        0.7144605326
  H         4.2303416380       -5.8249852980        2.4397057144
  H         3.2477427626       -4.5608414337        3.1553318620
  H         5.2089241360       -4.9918063637        4.6291576752
  H         6.3121952901       -4.7493735738        3.2742093119
  H         6.2569632782       -2.7219675227        4.6705340093
  H         4.4973712512       -2.6556023060        4.6078216644
  H         4.2637659245        0.2913903195        1.2340979491
  H         5.8251395644        2.7147022782        2.2483847168
  H         4.1546782152        2.3744933955        2.7110775344
  H         4.2206543990        3.9052378991        0.7150554415
  H         3.4833838160        2.3617778668        0.3001703022
  H         6.3572230575        3.2514374293       -0.3129283628
  H         5.0712469491        2.9863767067       -1.4830225602
  H         6.7455119132        1.0775414208       -1.3713494213
  H         5.0840417835        0.5627305494       -1.0655490823
  H         7.2098543343        1.0858388136        1.0815338793
  H         6.6277447280       -0.4945671074        0.5731327879
  H         2.1232680935        0.5420121782        2.4338376876
  H         2.1780041097       -1.8929271246        3.6303920961
  H         0.7431044120       -1.7791145044        5.8094624197
  H         2.1853378291       -0.1260441863        7.2774525028
  H         2.1314205363        2.3027584625        6.1013559397
  H         0.6431302034        2.1384596260        3.9364601794
  H        -0.6374324622        0.5526875017        5.7182853006
  H        -0.6699785972       -0.2280441906        4.1008417007
 Rh        14.7190975586       19.6372684875       14.9648128578
  P        12.9387887863       19.2001169882       13.5220125845
  C        13.1045655611       20.1875479700       11.9630863020
  C        13.4988015409       21.6542712322       12.2131533747
  C        13.8439228559       22.3440609128       10.8829576712
  C        12.6902596058       22.2434241281        9.8751975797
  C        12.2665949846       20.7830022006        9.6609845723
  C        11.9230154134       20.0807791128       10.9875926525
  C        12.6384150698       17.4617281220       12.9223616904
  C        13.6493223752       17.0380298934       11.8343607136
  C        13.5797228889       15.5308601993       11.5402737396
  C        13.7893810137       14.7238975870       12.8243994649
  C        12.6799807691       15.0461420965       13.8297077788
  C        12.6613832647       16.5445423698       14.1641895741
  C        11.3179744688       19.6578070118       14.3517391153
  C        11.4188688700       19.6840763911       15.8899175582
  P        13.1004010346       20.1764908713       16.5253717012
  C        12.9546129726       21.9793210441       16.9669413923
  C        13.9868333278       22.4581761795       18.0130789794
  C        14.0104315985       23.9942586350       18.1580662493
  C        14.0756470130       24.7353933380       16.8175865808
  C        12.9342599162       24.2839639512       15.9055329107
  C        13.0716431773       22.7802051824       15.6541935427
  C        13.3195720777       19.2278514450       18.1038545965
  C        13.5709177160       17.7363394965       17.8069965381
  C        14.0391189136       17.0184684051       19.0795260024
  C        13.0128593541       17.1636051834       20.2141912805
  C        12.6138340403       18.6312479447       20.4564782324
  C        12.2141730912       19.3773727659       19.1643419380
  C        16.4304693619       19.6449998969       16.3528294299
  C        16.4572924119       20.8328737822       15.6136889540
  C        17.3329901008       20.5611108604       14.3753477566
  C        16.4657517919       19.5742242611       13.5616222080
  C        16.4350706969       18.3882302727       14.2962139663
  C        17.2842946151       18.6303745713       15.5624239309
  C        18.3725311375       19.5793942366       14.9855740447
  H        13.9747823593       19.6999401318       11.4916052094
  H        12.6725939296       22.1887858940       12.7038699978
  H        14.3547662853       21.6932302952       12.9040982758
  H        14.1131148999       23.3938565330       11.0611914604
  H        14.7387197398       21.8620387251       10.4620544554
  H        12.9873737789       22.6964847390        8.9182050230
  H        11.8300579365       22.8240175043       10.2367862598
  H        11.4024046055       20.7252513234        8.9832703942
  H        13.0915820188       20.2381958805        9.1752985585
  H        11.6630052389       19.0324456636       10.7951299875
  H        11.0321092660       20.5437009811       11.4298401991
  H        11.6296758379       17.4446165152       12.4775465221
  H        13.4641580475       17.6023759270       10.9101065442
  H        14.6723713744       17.2906306510       12.1495383917
  H        12.5987269364       15.2793545796       11.1105183704
  H        14.3292875060       15.2706572861       10.7795420935
  H        13.8246933687       13.6477608258       12.6067071283
  H        14.7676896594       14.9764559630       13.2612461022
  H        11.7109259900       14.7326273303       13.4176588849
  H        12.8214781628       14.4897242811       14.7659799384
  H        11.7989329127       16.7778960686       14.8072161257
  H        13.5595759453       16.7874825248       14.7540546601
  H        10.5454522551       18.9402295667       14.0389608280
  H        11.0090931290       20.6375404212       13.9623862091
  H        10.6491059044       20.3344044569       16.3296413233
  H        11.2493583167       18.6767345139       16.2946227527
  H        11.9421977256       22.1266712406       17.3758818690
  H        13.7618083433       22.0170997997       18.9949568608
  H        14.9924921995       22.1058117698       17.7458553407
  H        13.1078032926       24.3208086987       18.6932702586
  H        14.8646319931       24.2775991480       18.7878159254
  H        14.0414817036       25.8188114796       16.9926286341
  H        15.0363731793       24.5460676799       16.3166952874
  H        12.9372039556       24.8225145987       14.9485104187
  H        11.9657437992       24.4926950805       16.3819583500
  H        12.3334380309       22.4286818755       14.9215019456
  H        14.0597284187       22.5793458945       15.2087692044
  H        14.2474648651       19.6499376472       18.5257525240
  H        12.6388049926       17.2734819301       17.4481707001
  H        14.3081249123       17.6279747296       16.9961958332
  H        14.2229306320       15.9563978845       18.8618102088
  H        15.0060651793       17.4425790135       19.3897009416
  H        12.1189819386       16.5711771641       19.9711731230
  H        13.4198528551       16.7353017137       21.1416786441
  H        11.7802038267       18.6741732118       21.1732554561
  H        13.4581664147       19.1618005415       20.9240294631
  H        11.2715032938       18.9673373567       18.7782125734
  H        12.0258202443       20.4339490334       19.3924243109
  H        16.1576958613       19.5339968930       17.3981439671
  H        16.1930438478       21.8290941263       15.9589116518
  H        17.6960537406       21.4414555091       13.8394561474
  H        16.2227478971       19.6960591933       12.5098565364
  H        16.1481066239       17.4028059841       13.9384755605
  H        17.5989219586       17.7391828671       16.1104764071
  H        19.0042942965       19.0990196936       14.2300345636
  H        18.9938158882       20.0420848041       15.7612138101
 Rh         5.9865795113       10.0712578714       14.9883214775
  P         4.1714974275        9.5789730153       13.6306211401
  C         3.7412478587        7.8406292636       13.1039783136
  C         3.6496368904        6.8886358155       14.3189178763
  C         3.6418985317        5.4079574878       13.8997750171
  C         4.8576237515        5.0839775388       13.0290542607
  C         4.7750452207        5.8934949320       11.7354157174
  C         4.7555557282        7.3997181196       12.0284991872
  C         2.5953778743       10.2159496588       14.3877650326
  C         2.6663864378       10.1258393540       15.9151705991
  P         4.3552638305       10.6212111826       16.5195268784
  C         4.1377073033       12.3854858167       17.0427967560
  C         3.9763483007       13.2825184593       15.7952283430
  C         4.0666811206       14.7777973355       16.1299214225
  C         5.3792562603       15.0697025269       16.8611769177
  C         5.4138328182       14.2944810894       18.1795459064
  C         5.3129589449       12.7837357445       17.9575663227
  C         4.6042373663        9.6822742055       18.0850832611
  C         4.9670082702        8.2085416812       17.8222629974
  C         5.2458137449        7.4960843340       19.1527351425
  C         4.0299283167        7.5933255058       20.0859968347
  C         3.4021136218        9.8088817478       19.0317336255
  C         3.6584472485        9.0605310543       20.3471660580
  C         4.3831245219       10.5316627279       12.0601238046
  C         4.7069985601       12.0151719774       12.3256564718
  C         4.9781176532       12.7664586160       11.0108471174
  C         3.8509406780       12.5767864448        9.9834352902
  C         3.5041654222       11.0966451121        9.7717037978
  C         3.2011628026       10.3829291685       11.0967542121
  C         7.8481461778       11.1901044229       15.5462654251
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 Rh        12.6622672349        9.7786147482        4.7014670234
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  C        13.1930683690       12.3147378229        7.4619000498
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  F         7.3492337904       10.8238727088       -0.2336921407
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  C         5.7107571869       10.4789588436        2.9337398145
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  F         2.6863463957        7.1593612788        9.5356012800
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  F         7.4993314911        5.8840352176        3.2983385007
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  F        11.2168448991        9.0170981683       20.2251485866
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  C        11.8786194106       12.0109360619       17.3042468686
  C        12.7577588465       11.6801364614       16.2642065841
  C        13.2459670211       10.3742247526       16.0824385000
  C        12.7831700585        9.4094022644       17.0026241009
  B        14.1586394555        9.9791151397       14.7730941027
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  C        15.7842728684       12.0357253530       15.2346448085
  C        16.7080204530       13.0124712102       14.8424592463
  C        17.0840883704       13.1488036739       13.5011514963
  C        16.5004407960       12.2888906808       12.5628412424
  C        15.5534694607       11.3382842664       12.9618549275
  C        16.8394318940       12.3980484159       11.0976670125
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  F        15.7542256844       12.8158186204       10.3464606792
  F        17.2356185935       11.1909212749       10.5623503856
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  F        18.1479587072       14.8379859298       15.4061675911
  F        17.8393251431       13.2539623779       16.9361336298
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  C        12.4472132336       10.6708049180       12.8513995109
  C        11.4577948308       10.4139781679       11.8906453310
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  C        11.6021714962        8.0726204191       12.3838888220
  C        12.6045133439        8.3316447744       13.3250158904
  C        11.0278775352        6.6990292303       12.2312614202
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  F        11.9221596731        5.6916165099       12.4648481399
  F        10.0067560502        6.4973458163       13.1307435820
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  F        10.6219888687       12.6630213921       11.7463684956
  F        11.7654432039       11.8834917261       10.0490444362
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  C        15.8680745108        8.5726739146       16.2905902590
  C        16.8124688127        7.5575015905       16.4675515545
  C        17.1104005014        6.6614121520       15.4375232102
  C        16.4833560631        6.8320117683       14.2109658881
  C        15.5684507592        7.8713951685       14.0173779389
  C        17.4857435270        7.2661817781       17.7717524522
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  F        16.7944324578        6.3142732053       18.4815194677
  F        18.7601026495        6.7890638785       17.5419046485
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  F        10.4798877782       13.7348720403       16.4308034847
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  F        17.3753148002        6.5271048426       12.0275799715
  F        15.6576668821        5.2675458943       12.6121832229
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  H        10.7093214432       11.2907775735       18.9749094604
  H        13.0638431017       12.4661234264       15.5749689833
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  H        17.7943949088       13.9111740118       13.1969466129
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  H        13.0353581184        7.4892842889       13.8654961624
  H        15.6523649977        9.2431564584       17.1232018985
  H        17.8115441514        5.8489709672       15.5975674960
  H        15.1281985155        7.9955692908       13.0321115519
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  F         3.3648675533       17.0880878443       18.6313422444
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  C         4.1847713995       19.0344524531       16.8529524619
  C         4.6901868542       20.0172495062       15.9742925020
  C         4.2618648488       21.3328304731       16.2171651817
  C         3.4431320210       21.6655096663       17.3041646506
  C         2.9908768338       20.6871625913       18.1864988149
  C         2.9242742218       23.0652181589       17.4363128667
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  F         3.9027788113       24.0240567620       17.3051431026
  F         1.9934578623       23.2922367239       16.4320967838
  B         5.6118137241       19.6416078230       14.6727825943
  C         6.6661982968       18.4274980210       14.9667823622
  C         7.2834904122       18.2950372759       16.2225095025
  C         8.2448204620       17.3116315447       16.4685514341
  C         8.6316873224       16.4104449749       15.4764236967
  C         8.0535030121       16.5478736827       14.2150228448
  C         7.1064397816       17.5484004480       13.9615435797
  C         8.4239179110       15.5981234336       13.1142619411
  F         7.3129382163       15.0308071959       12.5398294634
  F         9.2156927184       14.5692274231       13.5622826050
  F         9.1084679323       16.2278606794       12.1004158977
  C         8.7837583026       17.1554585708       17.8524847778
  F         8.9098607558       18.3676566170       18.4842623854
  F        10.0147375023       16.5638195051       17.8928524209
  F         7.9537252198       16.3791992832       18.6305309461
  C         6.6241837108       20.8612230647       14.2692740034
  C         7.1999568544       21.7125576636       15.2305645903
  C         8.1661400370       22.6659869425       14.8910435448
  C         8.6080764001       22.8063715450       13.5720171564
  C         8.0450725206       21.9713717468       12.6064223420
  C         7.0823303038       21.0176274227       12.9507460467
  C         8.4058600890       22.1109218653       11.1591833888
  F         8.8235523866       20.9040872827       10.6310479866
  F         9.3806203847       23.0316990238       10.9272559896
  F         7.3253316943       22.5143551062       10.4095823718
  C         8.6828787292       23.5854846280       15.9569350902
  F         9.6020242974       24.4691201157       15.4766402400
  F         7.6879474972       24.3574738458       16.5045793308
  F         9.2708797638       22.8896725220       17.0037523994
  C         4.5491675503       19.2788365616       13.4771367900
  C         4.0582331356       17.9760130450       13.2696097153
  C         3.0919686026       17.6916570403       12.2929310143
  C         2.5761136670       18.7058687179       11.4847790853
  C         3.0288824125       20.0145959284       11.6940738722
  C         3.9896735301       20.2907028983       12.6703205193
  C         2.4038872565       21.1131027412       10.8839300645
  F         2.3721300354       20.7820593600        9.5391754082
  F         1.0930898285       21.3324771038       11.2600145320
  F         3.0364383002       22.3158225573       10.9980423826
  C         2.5106455671       16.3081103253       12.1865840041
  F         1.9325637645       16.0518007571       10.9842980856
  F         3.4286735646       15.3131245682       12.3969062713
  F         1.5235660811       16.1215409889       13.1301099192
  H         4.4327942267       17.9846755562       16.6885138155
  H         4.5677477227       22.1234881464       15.5376319607
  H         2.3521063963       20.9455967932       19.0273782220
  H         7.0130340568       18.9746174035       17.0289536959
  H         9.3488663610       15.6232361678       15.6855225553
  H         6.7003876381       17.6369200699       12.9549618382
  H         6.8875453330       21.6388243491       16.2712880907
  H         9.3512166802       23.5506550488       13.3048496366
  H         6.6778747090       20.3817139648       12.1649094204
  H         4.4335290122       17.1575850076       13.8822739872
  H         1.8372260375       18.4820610513       10.7185966521
  H         4.3150682516       21.3208634687       12.8021493308
  F        15.6199564704        1.2735299721       -0.2930396664
  C        15.6606084448        1.6669974897        1.0287751363
  F        16.9899449708        1.8955027009        1.3196332321
  F        15.0494571154        2.8841166368        1.1029714877
  C        15.0700895989        0.6103045025        1.9271213310
  C        14.2501459447        0.9259874043        3.0183357206
  C        13.7547049870       -0.0700037810        3.8893702164
  C        14.2019022290       -1.3807360732        3.6574929167
  C        15.0040709484       -1.7054046415        2.5594374044
  C        15.4271662031       -0.7196936983        1.6671808646
  C        15.4676736992       -3.1207816779        2.3849295765
  F        16.0483542741       -3.3175419041        1.1718261533
  F        14.4479338884       -4.0424117235        2.4967468469
  F        16.4086656563       -3.4509991205        3.3554766557
  B        12.8013972128        0.2601955939        5.1780093973
  C        11.7313456075        1.4628655147        4.8643170588
  C        11.1203060732        1.5676447277        3.5983272069
  C        10.1457538669        2.5338114742        3.3267641816
  C         9.7282505797        3.4334381811        4.3114051232
  C        10.3093321944        3.3369138903        5.5723415817
  C        11.2851688353        2.3655034561        5.8458318270
  C         9.9373547817        4.3051820555        6.6591931638
  F        11.0542076029        4.8851943487        7.1935769083
  F         9.1281943134        5.3300426639        6.2343734178
  F         9.3014183519        3.6786922275        7.7021689103
  C         9.6239333827        2.7106134893        1.9339069044
  F         9.4973820493        1.5326791746        1.2492922737
  F         8.4047273968        3.3386068110        1.9044280822
  F        10.4706450644        3.4725617754        1.1652900498
  C        11.8154236615       -0.9919242598        5.5651672938
  C        11.2899311385       -1.8809475245        4.6088346641
  C        10.3086444187       -2.8245156254        4.9340049376
  C         9.8247654636       -2.9435388956        6.2398558389
  C        10.3454440696       -2.0805420589        7.2026390001
  C        11.3115188232       -1.1242696616        6.8705843771
  C         9.9455370212       -2.1902349572        8.6414397454
  F         9.5862142401       -0.9749260263        9.1683726805
  F         8.9061150590       -3.0513742250        8.8710529609
  F        11.0137290544       -2.6151619256        9.3944920845
  C         9.7559059950       -3.7026617506        3.8518107991
  F         8.8177619964       -4.5683991020        4.3252908721
  F        10.7207392119       -4.4545732345        3.2272646587
  F         9.1428119533       -2.9682402515        2.8574749491
  C        13.8605373442        0.6098777157        6.3740296375
  C        14.3508891674        1.9085271293        6.5891189444
  C        15.3219121941        2.1885889639        7.5616777311
  C        15.8477499198        1.1762642792        8.3607628884
  C        15.4101967176       -0.1310027005        8.1236739766
  C        14.4446904515       -0.4085345743        7.1534605185
  C        16.0242842313       -1.2305147818        8.9308134486
  F        16.0426833150       -0.8777253978       10.2675231787
  F        17.3295307083       -1.4918422005        8.5815020762
  F        15.3724621518       -2.4183013160        8.8058414933
  C        15.8741043991        3.5792673094        7.6508585373
  F        16.4724795469        3.8596639355        8.8518778304
  F        14.9154826029        4.5292917534        7.4134092690
  F        16.8251238546        3.7867366368        6.6741063145
  H        13.9954998181        1.9697116592        3.1991552559
  H        13.9172039953       -2.1735125859        4.3488052805
  H        16.0336043695       -0.9786730919        0.8041605896
  H        11.4146411522        0.8788685988        2.8072378662
  H         8.9853651715        4.1940489062        4.0953878073
  H        11.7104602661        2.3247501814        6.8484557288
  H        11.6473924503       -1.8425038957        3.5809304357
  H         9.0828050328       -3.6911215532        6.5016435331
  H        11.6775798980       -0.4632411141        7.6551245254
  H        13.9730635666        2.7308477992        5.9834289137
  H        16.5751626695        1.3965648211        9.1382626118
  H        14.1436440296       -1.4435436836        7.0026395271
  H        10.7834620482       11.7893510001        4.7943907028
  H        11.6560674053       10.0991453213        3.1812777977
     646
 i =       74, E =         0.0005244513
 Rh         3.6288058276        0.2328983621        4.8165920758
  P         5.3846971151        0.6383250851        6.2779835682
  C         5.2389257261       -0.2788898990        7.8764415542
  C         4.8147215830       -1.7441797120        7.6757265886
  C         4.5365048010       -2.4143424041        9.0298011964
  C         5.7195751186       -2.2777287329        9.9992323227
  C         6.1931816932       -0.8238974703       10.1431032321
  C         6.4787113129       -0.1742719945        8.7791604663
  C         5.6738483698        2.4024804594        6.7897039319
  C         4.6619214892        2.8087710096        7.8866545542
  C         4.5991675801        4.3214605640        8.1602103443
  C         4.5293046101        5.1438969965        6.8709506696
  C         5.7168562527        4.7922204059        5.9727646607
  C         5.6128346270        3.3222074122        5.5536375923
  C         6.9956808133        0.0922754883        5.5071023617
  C         6.9594324483        0.2318451275        3.9781149080
  P         5.3012118086       -0.2375191455        3.2788464367
  C         5.4382759969       -2.0262746991        2.7690874502
  C         4.3247013825       -2.4125595182        1.7762308464
  C         4.3755485827       -3.9046114324        1.4347349573
  C         4.2288120431       -4.7566854803        2.6974676086
  C         5.3469973607       -4.4307037265        3.6927607844
  C         5.3923040152       -2.9279633112        4.0250174043
  C         5.1675407473        0.7162502550        1.6987260103
  C         4.8987716506        2.2185446342        1.9171314051
  C         4.4345514534        2.8349782051        0.5876024218
  C         5.4761102588        2.6291276329       -0.5241976970
  C         5.9139312439        1.1596509449       -0.6551941689
  C         6.3283937498        0.5530768865        0.6995070418
  C         1.8715921535        0.3108433712        3.4653294293
  C         1.8992440968       -0.9442756218        4.0788705574
  C         1.0584806511       -0.8328728809        5.3624182971
  C         1.9179459152        0.0946256543        6.2485404504
  C         1.8860353779        1.3508414638        5.6410856328
  C         1.0088085315        1.2087538720        4.3793121087
  C        -0.0271976176        0.1719351022        4.8923533073
  H         4.4057810645        0.2374967155        8.3813823034
  H         5.6040375442       -2.2936466042        7.1414187192
  H         3.9204542812       -1.7840165811        7.0343914504
  H         4.2959592783       -3.4765184676        8.8757515168
  H         3.6392013052       -1.9570371405        9.4718698306
  H         5.4406603015       -2.6813982468       10.9836820923
  H         6.5566346777       -2.8927745860        9.6423935140
  H         7.1001425607       -0.7781646985       10.7648728619
  H         5.4201867550       -0.2343415897       10.6612549946
  H         6.7861572648        0.8710739110        8.9183659542
  H         7.3256721699       -0.6829560355        8.3003498169
  H         6.6936731626        2.4541093663        7.2047445777
  H         4.9144197293        2.2917207345        8.8226871496
  H         3.6602006758        2.4543142277        7.6052419866
  H         5.4883701332        4.6319417175        8.7272173617
  H         3.7332971500        4.5256550168        8.8069295085
  H         4.5030996836        6.2158358313        7.1083994046
  H         3.5960196088        4.9272407118        6.3291590061
  H         6.6538305247        4.9518864041        6.5248615558
  H         5.7654945596        5.4366255749        5.0861763778
  H         6.4084952264        3.0589411167        4.8414574991
  H         4.6585050819        3.1590548638        5.0258879328
  H         7.8320700903        0.6619326299        5.9378949318
  H         7.1440325416       -0.9580892586        5.7949984891
  H         7.7594816532       -0.3469983977        3.4951038138
  H         7.1069718034        1.2824659145        3.6888498226
  H         6.4122971045       -2.1482666318        2.2684991656
  H         4.3810318888       -1.8108823720        0.8594941232
  H         3.3432827336       -2.1957434855        2.2196507085
  H         5.3292295370       -4.1365871540        0.9390938913
  H         3.5807399960       -4.1379769065        0.7154920336
  H         4.2309431931       -5.8247131865        2.4400270244
  H         3.2483509069       -4.5610380320        3.1564630118
  H         5.2100256503       -4.9920068869        4.6293423201
  H         6.3128764494       -4.7489454990        3.2742537045
  H         6.2573021672       -2.7219692533        4.6710302530
  H         4.4977920706       -2.6559575165        4.6088239106
  H         4.2622025661        0.2907249835        1.2353082205
  H         5.8233571609        2.7141941147        2.2497881986
  H         4.1523875774        2.3739587854        2.7104902208
  H         4.2209160795        3.9056831594        0.7153246361
  H         3.4832105548        2.3624171860        0.2991419873
  H         6.3579830490        3.2513486011       -0.3121092258
  H         5.0721722525        2.9869984512       -1.4828046955
  H         6.7457435336        1.0771982113       -1.3705587699
  H         5.0835827218        0.5635571742       -1.0662154630
  H         7.2088611462        1.0836606201        1.0821620105
  H         6.6248593327       -0.4957429877        0.5729305712
  H         2.1224365864        0.5417036705        2.4337375297
  H         2.1776508740       -1.8928181875        3.6308164477
  H         0.7435218504       -1.7782228742        5.8105384880
  H         2.1873927665       -0.1255987532        7.2773236120
  H         2.1339003605        2.3031790032        6.1005263236
  H         0.6439111788        2.1391032118        3.9369255318
  H        -0.6382179403        0.5532750890        5.7181485691
  H        -0.6687943615       -0.2280020005        4.1000780303
 Rh        14.7190453612       19.6371260590       14.9653505766
  P        12.9392832256       19.2001934531       13.5221920865
  C        13.1053864494       20.1877228088       11.9634437492
  C        13.4988611994       21.6541864839       12.2117886189
  C        13.8437984606       22.3439580756       10.8832741251
  C        12.6904426162       22.2432773694        9.8755725595
  C        12.2665548664       20.7835370630        9.6616540969
  C        11.9238033236       20.0812296652       10.9877977566
  C        12.6392201827       17.4614826481       12.9236594112
  C        13.6497461456       17.0377886763       11.8356531469
  C        13.5801971964       15.5309450965       11.5408197240
  C        13.7890721160       14.7234527425       12.8244565461
  C        12.6801599337       15.0458409825       13.8298389929
  C        12.6620876485       16.5438364114       14.1652089434
  C        11.3188275382       19.6588267170       14.3515974053
  C        11.4185407534       19.6840068735       15.8889155849
  P        13.0999923602       20.1763090634       16.5251482371
  C        12.9540759260       21.9789994715       16.9664834413
  C        13.9868018842       22.4574042135       18.0119726414
  C        14.0099617848       23.9931120527       18.1584630816
  C        14.0758087121       24.7347904542       16.8182978360
  C        12.9346525823       24.2841823805       15.9056096124
  C        13.0699382207       22.7804803379       15.6541580435
  C        13.3199738634       19.2277098475       18.1033994595
  C        13.5717633643       17.7362117464       17.8070119627
  C        14.0391618542       17.0184094920       19.0800327039
  C        13.0123335375       17.1642395998       20.2138584603
  C        12.6143193717       18.6316038411       20.4560109120
  C        12.2149049865       19.3773912715       19.1640155015
  C        16.4309362956       19.6444328906       16.3533522063
  C        16.4574643422       20.8328101369       15.6141463179
  C        17.3327977793       20.5608119647       14.3752694276
  C        16.4650699434       19.5744412022       13.5615385542
  C        16.4345877425       18.3878422334       14.2961575359
  C        17.2844180483       18.6299828556       15.5618617712
  C        18.3718857168       19.5792328868       14.9851815183
  H        13.9758344067       19.6998873507       11.4913971412
  H        12.6717400856       22.1886486865       12.7030929194
  H        14.3548756688       21.6944053298       12.9048931531
  H        14.1130345030       23.3946878049       11.0613982911
  H        14.7394000222       21.8629236600       10.4618168179
  H        12.9873799172       22.6967547094        8.9178237005
  H        11.8303533033       22.8245939031       10.2370282130
  H        11.4014915727       20.7258484559        8.9841099912
  H        13.0909541282       20.2383942396        9.1748614365
  H        11.6629102276       19.0325748539       10.7956298162
  H        11.0330152128       20.5442951500       11.4310407549
  H        11.6301803945       17.4441512667       12.4790857091
  H        13.4644215232       17.6027216596       10.9113058369
  H        14.6729619536       17.2905626183       12.1505473365
  H        12.5995499102       15.2796826648       11.1103866325
  H        14.3303169550       15.2711093762       10.7801669517
  H        13.8237883935       13.6470888325       12.6061864600
  H        14.7679981668       14.9747815696       13.2615453512
  H        11.7109157009       14.7330544806       13.4176431714
  H        12.8211813332       14.4884932857       14.7659296127
  H        11.7997593839       16.7771567636       14.8085480473
  H        13.5604767229       16.7864571068       14.7554215188
  H        10.5450761357       18.9420216169       14.0369855964
  H        11.0110025850       20.6392084177       13.9624026279
  H        10.6485817155       20.3339095587       16.3291043087
  H        11.2486716749       18.6759031266       16.2935312079
  H        11.9416306225       22.1262962704       17.3764103056
  H        13.7629549721       22.0150205310       18.9939581309
  H        14.9924551512       22.1055153901       17.7435332066
  H        13.1071058457       24.3190614406       18.6933554004
  H        14.8638876806       24.2762171629       18.7887229780
  H        14.0419773147       25.8181202664       16.9937617801
  H        15.0369023686       24.5453334666       16.3177425591
  H        12.9391845817       24.8227878136       14.9482886693
  H        11.9661010066       24.4944867769       16.3810580098
  H        12.3299281105       22.4301017240       14.9222950793
  H        14.0571051444       22.5782457554       15.2067712669
  H        14.2481876273       19.6502402826       18.5248513573
  H        12.6399639313       17.2732005844       17.4476688939
  H        14.3095486837       17.6277237162       16.9967411707
  H        14.2228413060       15.9562672510       18.8624237861
  H        15.0060193321       17.4422783919       19.3906905986
  H        12.1179144675       16.5723335259       19.9700024986
  H        13.4182191165       16.7347925146       21.1417584586
  H        11.7805625528       18.6754317696       21.1731780579
  H        13.4590367882       19.1619857385       20.9236513946
  H        11.2722579340       18.9670420283       18.7777520092
  H        12.0262034857       20.4342483940       19.3914718272
  H        16.1594992560       19.5336711449       17.3985652249
  H        16.1938036344       21.8285353548       15.9597273729
  H        17.6954236056       21.4412952199       13.8393880575
  H        16.2209823135       19.6965855157       12.5103620523
  H        16.1469035154       17.4029561055       13.9385210605
  H        17.5990264023       17.7385176103       16.1096242493
  H        19.0046555899       19.0991249491       14.2296934286
  H        18.9933306134       20.0420545699       15.7613298698
 Rh         5.9860180873       10.0709262428       14.9882371046
  P         4.1713003643        9.5793153194       13.6299184889
  C         3.7429847781        7.8406499698       13.1036441255
  C         3.6512545011        6.8892694584       14.3189300049
  C         3.6424620996        5.4085909226       13.9001221184
  C         4.8577915938        5.0838987101       13.0291239557
  C         4.7757191956        5.8933864297       11.7360954408
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 Rh        12.6623883744        9.7796684150        4.7012917687
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  H        13.0329843324        7.4907990109       13.8672468219
  H        15.6515174080        9.2420156754       17.1223320359
  H        17.8111056704        5.8498047651       15.5969415475
  H        15.1272194002        7.9953392446       13.0297605684
  F         2.7309885018       18.6303609915       20.1036264971
  C         2.7353468075       18.2943298467       18.7745193709
  F         1.4130089088       18.0794273695       18.4748371432
  F         3.3576036622       17.0876110734       18.6332896141
  C         3.3532358402       19.3609113783       17.9258954925
  C         4.1854750723       19.0330662196       16.8515868022
  C         4.6889684408       20.0145751491       15.9769723025
  C         4.2617983271       21.3327303913       16.2181730334
  C         3.4427152341       21.6643695399       17.3050757441
  C         2.9901622881       20.6854708190       18.1855366644
  C         2.9247696261       23.0644712185       17.4362555234
  F         2.2999512341       23.2929250151       18.6244098318
  F         3.9024449692       24.0249841063       17.3052768043
  F         1.9928922174       23.2935349553       16.4320011331
  B         5.6129250556       19.6417761022       14.6715459947
  C         6.6649647971       18.4276758689       14.9668278258
  C         7.2831390106       18.2943309510       16.2224938879
  C         8.2450574795       17.3112308241       16.4693256260
  C         8.6317326977       16.4106385866       15.4760423705
  C         8.0537159870       16.5469913406       14.2146959358
  C         7.1057474675       17.5476657697       13.9615738954
  C         8.4239673622       15.5979294662       13.1147072869
  F         7.3132370887       15.0311019169       12.5394068217
  F         9.2154537885       14.5696359705       13.5621086553
  F         9.1081167320       16.2276909564       12.1003249187
  C         8.7834921475       17.1554022018       17.8524133996
  F         8.9103785613       18.3671627039       18.4841685789
  F        10.0140704818       16.5641452786       17.8930874502
  F         7.9544047549       16.3795602453       18.6298562741
  C         6.6246106934       20.8610661702       14.2687747257
  C         7.2001500366       21.7123099378       15.2302569285
  C         8.1660943889       22.6661720645       14.8907754746
  C         8.6076780783       22.8069517569       13.5717196927
  C         8.0447323448       21.9714712181       12.6066121705
  C         7.0822936816       21.0175678701       12.9505626277
  C         8.4056111956       22.1110067114       11.1591115908
  F         8.8236793450       20.9041595437       10.6309362140
  F         9.3807877814       23.0318131629       10.9268405306
  F         7.3257071992       22.5143519321       10.4094336886
  C         8.6829183481       23.5855494403       15.9568761600
  F         9.6020361118       24.4690912025       15.4766452857
  F         7.6878724879       24.3576774378       16.5045074372
  F         9.2710982499       22.8896661972       17.0036754598
  C         4.5488215659       19.2794462983       13.4772761784
  C         4.0577596590       17.9762691928       13.2694457001
  C         3.0914385738       17.6925435190       12.2927587169
  C         2.5752161444       18.7064415119       11.4850349041
  C         3.0284930423       20.0139824005       11.6946764477
  C         3.9893520901       20.2910583413       12.6708150617
  C         2.4024399738       21.1118281894       10.8832208361
  F         2.3724779958       20.7826879456        9.5400969749
  F         1.0932819600       21.3326813797       11.2594897161
  F         3.0376025563       22.3176343037       10.9976085738
  C         2.5109974608       16.3081136090       12.1869786915
  F         1.9324157415       16.0517315511       10.9840773017
  F         3.4286703921       15.3131104698       12.3965919914
  F         1.5230266488       16.1214987346       13.1301430007
  H         4.4331761029       17.9875064081       16.6879892695
  H         4.5692910661       22.1259105696       15.5365724264
  H         2.3512572087       20.9448753333       19.0260459678
  H         7.0119202374       18.9738273475       17.0291565113
  H         9.3495445946       15.6236649423       15.6852451718
  H         6.6990710392       17.6354485847       12.9551828979
  H         6.8879478237       21.6385290903       16.2713874339
  H         9.3501780538       23.5516650521       13.3044677127
  H         6.6779647020       20.3819045439       12.1648642710
  H         4.4335219429       17.1576423278       13.8825319044
  H         1.8363779909       18.4827549792       10.7198824483
  H         4.3143426154       21.3212583566       12.8027916554
  F        15.6179709936        1.2756261163       -0.2919316242
  C        15.6605584269        1.6665754535        1.0288421178
  F        16.9909715873        1.8959561010        1.3187418322
  F        15.0494145977        2.8834650271        1.1010039475
  C        15.0698238595        0.6103833268        1.9270864271
  C        14.2494901025        0.9261671773        3.0177091384
  C        13.7543543233       -0.0701108926        3.8885718367
  C        14.2012510294       -1.3809077982        3.6568025500
  C        15.0041221517       -1.7054027014        2.5594529794
  C        15.4279659113       -0.7194353656        1.6678348685
  C        15.4676947439       -3.1196613090        2.3841819945
  F        16.0482551265       -3.3178555937        1.1722070924
  F        14.4476969534       -4.0429781854        2.4970087247
  F        16.4089543966       -3.4515891072        3.3557475522
  B        12.8007508279        0.2606519682        5.1774667228
  C        11.7320125843        1.4631177621        4.8640173548
  C        11.1204383741        1.5684424813        3.5977527816
  C        10.1453650442        2.5344439010        3.3256243682
  C         9.7285192453        3.4342136974        4.3117588171
  C        10.3095788575        3.3378750415        5.5733648336
  C        11.2850837605        2.3661735113        5.8453769677
  C         9.9375731364        4.3046992075        6.6585748209
  F        11.0543865825        4.8852138394        7.1936098243
  F         9.1281511519        5.3302711299        6.2346601809
  F         9.3017262492        3.6789050991        7.7017282620
  C         9.6265892414        2.7138290925        1.9312382677
  F         9.4968489248        1.5305781829        1.2484425896
  F         8.4048880030        3.3398065769        1.9054056361
  F        10.4677269520        3.4709042984        1.1693087292
  C        11.8147961470       -0.9908121971        5.5650876371
  C        11.2886811860       -1.8797744461        4.6085419603
  C        10.3079327687       -2.8239900202        4.9337515105
  C         9.8245540053       -2.9430040939        6.2398466763
  C        10.3453114797       -2.0800704422        7.2025250155
  C        11.3114206089       -1.1235830161        6.8704347742
  C         9.9450103190       -2.1906224162        8.6412990296
  F         9.5858505386       -0.9747613934        9.1685069655
  F         8.9066090276       -3.0506599992        8.8710985859
  F        11.0138954456       -2.6152047531        9.3946047083
  C         9.7558627480       -3.7025207528        3.8517009940
  F         8.8177362004       -4.5682673092        4.3254964778
  F        10.7205421700       -4.4545906709        3.2270634532
  F         9.1426227957       -2.9680734423        2.8576515295
  C        13.8602873394        0.6098919607        6.3736709297
  C        14.3507806238        1.9092519662        6.5887460605
  C        15.3219427443        2.1886983232        7.5609175600
  C        15.8484105383        1.1765003215        8.3594792708
  C        15.4100629775       -0.1316808750        8.1230522727
  C        14.4442683094       -0.4079577909        7.1532999571
  C        16.0242144725       -1.2305858545        8.9305684412
  F        16.0425246642       -0.8778147119       10.2672112644
  F        17.3292826739       -1.4919894272        8.5817497444
  F        15.3727126541       -2.4178300857        8.8059700830
  C        15.8742051779        3.5789896884        7.6505283131
  F        16.4724797448        3.8596793016        8.8516707550
  F        14.9153048127        4.5294086894        7.4133700673
  F        16.8251233089        3.7865832934        6.6741294441
  H        13.9940260920        1.9693753690        3.1980980418
  H        13.9158997168       -2.1737589297        4.3474741622
  H        16.0358350102       -0.9780353735        0.8050647620
  H        11.4146365416        0.8801208437        2.8062251172
  H         8.9852996906        4.1952860860        4.0951439338
  H        11.7104876067        2.3249295935        6.8476360066
  H        11.6455355565       -1.8404198356        3.5800402507
  H         9.0825716320       -3.6905365258        6.5016098309
  H        11.6776637968       -0.4630304648        7.6548420725
  H        13.9727901502        2.7310856772        5.9835092267
  H        16.5769668342        1.3963219071        9.1362779014
  H        14.1423629078       -1.4432386763        7.0028311399
  H        10.7848944977       11.7881829454        4.7939670770
  H        11.6542877874       10.0978842652        3.1789743210
     646
 i =       75, E =         0.0108328161
 Rh         3.6293598898        0.2331381405        4.8165919432
  P         5.3847170017        0.6383364911        6.2782097250
  C         5.2380446949       -0.2797845233        7.8761875774
  C         4.8153437217       -1.7456954171        7.6752969188
  C         4.5365094070       -2.4152611285        9.0299147040
  C         5.7199347325       -2.2792191926        9.9991710435
  C         6.1929960983       -0.8251508223       10.1429733889
  C         6.4778913224       -0.1750755686        8.7789200507
  C         5.6738791109        2.4026572313        6.7903174838
  C         4.6611126032        2.8091596602        7.8863937018
  C         4.5997595058        4.3218691088        8.1605709628
  C         4.5296188190        5.1447862189        6.8715349794
  C         5.7161425187        4.7928581659        5.9719663572
  C         5.6135883164        3.3222379522        5.5539124228
  C         6.9958572099        0.0921621033        5.5077937979
  C         6.9600033562        0.2316672352        3.9786827057
  P         5.3015167323       -0.2374958465        3.2794877833
  C         5.4388924866       -2.0262601322        2.7701604273
  C         4.3261734606       -2.4117956110        1.7758639665
  C         4.3754952798       -3.9044330295        1.4355714831
  C         4.2294951629       -4.7563536564        2.6983694262
  C         5.3479937598       -4.4306331740        3.6933363281
  C         5.3927885413       -2.9280240929        4.0259019366
  C         5.1659287975        0.7158106610        1.6992585173
  C         4.8969401342        2.2180536995        1.9174013782
  C         4.4344548509        2.8353316945        0.5875364874
  C         5.4768772084        2.6294775513       -0.5236475723
  C         5.9134883615        1.1596666659       -0.6548909348
  C         6.3262494828        0.5518399650        0.6997300766
  C         1.8718716862        0.3111102994        3.4655891902
  C         1.8995655305       -0.9440085589        4.0795682660
  C         1.0592062323       -0.8318975501        5.3634268067
  C         1.9191180778        0.0957084640        6.2489212784
  C         1.8874189987        1.3514316255        5.6412613123
  C         1.0097594329        1.2095197288        4.3798106434
  C        -0.0267432945        0.1726791854        4.8926874461
  H         4.4043826238        0.2358329116        8.3807908991
  H         5.6061231459       -2.2945212850        7.1426371137
  H         3.9220306873       -1.7872707700        7.0332406614
  H         4.2945393354       -3.4769286139        8.8764326960
  H         3.6402446551       -1.9562724472        9.4720174470
  H         5.4409486959       -2.6827488326       10.9835419524
  H         6.5568914091       -2.8944233815        9.6423631229
  H         7.0999461921       -0.7786877070       10.7643884259
  H         5.4195264778       -0.2363653788       10.6611097416
  H         6.7851114122        0.8701119877        8.9182766818
  H         7.3244318013       -0.6836741075        8.2995987922
  H         6.6932767385        2.4542823587        7.2061055668
  H         4.9119207364        2.2913711556        8.8223525849
  H         3.6593576908        2.4561101977        7.6035832588
  H         5.4895491451        4.6313937613        8.7271223973
  H         3.7344822571        4.5265442895        8.8076914018
  H         4.5048928148        6.2165966176        7.1095508645
  H         3.5955684388        4.9294632450        6.3306745154
  H         6.6537809740        4.9544611399        6.5221954193
  H         5.7622699372        5.4361141007        5.0844992282
  H         6.4104052431        3.0595745227        4.8430155280
  H         4.6601217841        3.1580582795        5.0250128208
  H         7.8322272524        0.6613783025        5.9388789082
  H         7.1436456851       -0.9583040111        5.7957213129
  H         7.7598515629       -0.3482060985        3.4962226471
  H         7.1086665062        1.2818880473        3.6892367342
  H         6.4133091434       -2.1482818773        2.2702604441
  H         4.3863589737       -1.8116507577        0.8584667116
  H         3.3443151464       -2.1922216886        2.2164220614
  H         5.3286745058       -4.1370432751        0.9393383190
  H         3.5800675770       -4.1374370082        0.7170135905
  H         4.2317920062       -5.8243662296        2.4404874237
  H         3.2490958094       -4.5612712649        3.1580934633
  H         5.2116055285       -4.9923583614        4.6296866456
  H         6.3137959057       -4.7483315939        3.2743176702
  H         6.2579763047       -2.7219335647        4.6718761767
  H         4.4983952621       -2.6564248354        4.6101829738
  H         4.2600723252        0.2897975722        1.2370208014
  H         5.8209922965        2.7135658010        2.2517982304
  H         4.1492364458        2.3731995630        2.7095590429
  H         4.2213844964        3.9059378041        0.7156360415
  H         3.4832660934        2.3634195148        0.2977983072
  H         6.3588805279        3.2510572039       -0.3109451631
  H         5.0735459894        2.9878134773       -1.4822770410
  H         6.7459387211        1.0767461893       -1.3693776843
  H         5.0829080534        0.5646915795       -1.0671535579
  H         7.2075650118        1.0806137808        1.0830316944
  H         6.6208336389       -0.4974527115        0.5726096741
  H         2.1213339525        0.5412620536        2.4335976650
  H         2.1771889938       -1.8926495965        3.6314184536
  H         0.7440484277       -1.7770220742        5.8120358125
  H         2.1902911449       -0.1250004800        7.2772965651
  H         2.1373753177        2.3039618263        6.0994508837
  H         0.6449610049        2.1399485470        3.9375515208
  H        -0.6387271763        0.5538372156        5.7173933405
  H        -0.6666209150       -0.2276756726        4.0995805218
 Rh        14.7190436191       19.6369501719       14.9660791244
  P        12.9400290122       19.2003905569       13.5225459162
  C        13.1067239486       20.1875018266       11.9633705564
  C        13.4992121398       21.6545374567       12.2118847543
  C        13.8442831506       22.3445334296       10.8830783576
  C        12.6906314169       22.2437584923        9.8755257890
  C        12.2662096177       20.7839754803        9.6619810935
  C        11.9244225252       20.0814586495       10.9884481517
  C        12.6400664010       17.4611227922       12.9253990076
  C        13.6504357433       17.0377510185       11.8371137163
  C        13.5810047968       15.5310512844       11.5414058534
  C        13.7890197144       14.7225346469       12.8245837445
  C        12.6803147517       15.0452413631       13.8302295813
  C        12.6631981933       16.5431048352       14.1668364044
  C        11.3193531883       19.6599873190       14.3506879421
  C        11.4180329835       19.6834631952       15.8881723719
  P        13.0993897998       20.1760036730       16.5247567083
  C        12.9529002076       21.9786340493       16.9660215072
  C        13.9868293139       22.4561081075       18.0107424566
  C        14.0094082178       23.9915186944       18.1589003639
  C        14.0761433431       24.7339076037       16.8192690434
  C        12.9351911413       24.2847377031       15.9055330184
  C        13.0675478844       22.7806508275       15.6537534957
  C        13.3206938461       19.2276186560       18.1028511202
  C        13.5729783107       17.7360194715       17.8070082388
  C        14.0392018465       17.0183818836       19.0806089648
  C        13.0114718810       17.1646048582       20.2136045704
  C        12.6148806354       18.6324089315       20.4557664735
  C        12.2157076493       19.3775957767       19.1633962517
  C        16.4316636291       19.6440307625       16.3533918486
  C        16.4577899220       20.8319601763       15.6147934327
  C        17.3322550162       20.5605886406       14.3751382445
  C        16.4641049626       19.5743207376       13.5619180353
  C        16.4339386621       18.3880080677       14.2958952386
  C        17.2843875732       18.6293254452       15.5612571026
  C        18.3717217533       19.5790063513       14.9846328090
  H        13.9770056995       19.6999636212       11.4912737224
  H        12.6709488298       22.1881839813       12.7016863741
  H        14.3542907453       21.6959897497       12.9053267334
  H        14.1126817407       23.3952806876       11.0616318803
  H        14.7400531333       21.8642486548       10.4615932015
  H        12.9872478493       22.6968899324        8.9177769432
  H        11.8308339588       22.8252899144       10.2373317237
  H        11.4004835208       20.7267367050        8.9855445435
  H        13.0899541640       20.2387686064        9.1743182555
  H        11.6628646888       19.0330782819       10.7963404489
  H        11.0344376135       20.5450495007       11.4325852334
  H        11.6309957658       17.4435029759       12.4812602165
  H        13.4648329987       17.6030556836       10.9132226475
  H        14.6737166200       17.2904384854       12.1519614361
  H        12.6006379309       15.2801504682       11.1101487814
  H        14.3316246621       15.2717709196       10.7811675307
  H        13.8224731356       13.6463626235       12.6054562263
  H        14.7681821154       14.9724021241       13.2618705577
  H        11.7108688914       14.7336857441       13.4176113698
  H        12.8207298105       14.4868760155       14.7657015512
  H        11.8009494243       16.7761170996       14.8103788025
  H        13.5616045524       16.7849592664       14.7572032713
  H        10.5449532704       18.9449703177       14.0343998122
  H        11.0137419825       20.6414587526       13.9624646249
  H        10.6478532454       20.3332009423       16.3282972516
  H        11.2478059532       18.6751923256       16.2917684274
  H        11.9410455204       22.1257157449       17.3770491875
  H        13.7646057888       22.0121781379       18.9922846675
  H        14.9922882531       22.1051643614       17.7402639592
  H        13.1059869582       24.3166486653       18.6935084167
  H        14.8627773351       24.2742629451       18.7899918484
  H        14.0426498941       25.8171768513       16.9953410940
  H        15.0374948721       24.5443111464       16.3192807749
  H        12.9419263886       24.8230636484       14.9481498410
  H        11.9665148418       24.4970266142       16.3798191140
  H        12.3250707655       22.4321749351       14.9235499543
  H        14.0532439461       22.5767567933       15.2040296672
  H        14.2490177555       19.6506169286       18.5235117354
  H        12.6415608371       17.2727907708       17.4469322685
  H        14.3115380245       17.6274031046       16.9975032604
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 Rh        12.6623841490        9.7811721227        4.7008908254
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  C        14.7373395466       12.8495648860        5.5112263371
  C        14.7590955639       14.3186602269        5.9841529887
  C        13.4967394703       14.7055027276        6.7612271105
  C        13.3136511169       13.7634893384        7.9526327344
  C        13.1931374904       12.3139548548        7.4613391503
  C        15.9722297325        9.6614474053        5.4267741257
  C        15.9485076287        9.9043455841        3.9090570422
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  C        14.5656038153        6.6934388632        3.9202283761
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  C        13.1004102045        4.9165328443        2.8675164528
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  F         7.3494304811       10.8241091771       -0.2332940086
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  C         5.1363016494        9.4808204127        3.7524005627
  C         5.7117400682       10.4789271603        2.9352435664
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  C         2.5661319307        7.8650357867        4.6544084706
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  C         1.9034640735        7.6026895255        7.3269050775
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  C         1.5882689015        7.5201368363        8.7948162902
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  F         2.6856868155        7.1596634525        9.5348813955
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  F         0.1929873309        5.0734686594        4.3300131162
  F         0.6513685111        6.7254497399        2.9277894201
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  F        11.2159936722        9.0173308682       20.2255392635
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  C        11.4213303359       11.0378127655       18.1926339576
  C        11.8795763884       12.0111616051       17.3046875174
  C        12.7592007234       11.6803293704       16.2647668391
  C        13.2466008328       10.3740254735       16.0818465616
  C        12.7821255683        9.4086492243       17.0013110951
  B        14.1599315735        9.9789942933       14.7729695920
  C        15.1640087578       11.1840908478       14.3048097348
  C        15.7827720763       12.0376320255       15.2334211472
  C        16.7077054466       13.0134555912       14.8417318557
  C        17.0844631729       13.1492630335       13.5003837860
  C        16.5010416418       12.2891928783       12.5626247997
  C        15.5547934922       11.3377070063       12.9613282784
  C        16.8411774300       12.3976124794       11.0987320259
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  F        15.7534045861       12.8162118257       10.3451086558
  F        17.2352761541       11.1918140251       10.5621272891
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  F        16.2465258473       14.6716784234       16.4972504762
  F        18.1481968214       14.8379730215       15.4060282378
  F        17.8392034486       13.2540885985       16.9357033031
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  C        12.4469240603       10.6707766716       12.8506371237
  C        11.4588849448       10.4131505045       11.8901924578
  C        11.0195446949        9.1109929376       11.6536674860
  C        11.6038887651        8.0758142778       12.3849134549
  C        12.6036144553        8.3323621229       13.3282916316
  C        11.0272302826        6.6979581963       12.2310213812
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  F        11.9238605517        5.6900997310       12.4656591788
  F        10.0055980816        6.4974097452       13.1319852393
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  F         9.7392279408       11.1780251983       10.4116161659
  F        10.6252672217       12.6603050336       11.7431714914
  F        11.7669234754       11.8890057246       10.0464199484
  C        15.1991678547        8.7460551340       15.0563818624
  C        15.8666432911        8.5724505731       16.2899543700
  C        16.8119947149        7.5572064812       16.4666705025
  C        17.1112239670        6.6608526808       15.4375346356
  C        16.4856456539        6.8297571163       14.2100852174
  C        15.5692593065        7.8702748421       14.0179234412
  C        17.4858396123        7.2662796464       17.7727036681
  F        17.6139420890        8.3290662670       18.6228004319
  F        16.7936855059        6.3137975323       18.4812767950
  F        18.7605306128        6.7888347633       17.5415860919
  C        11.3895780434       13.4252212316       17.4286473215
  F        10.7857334729       13.6685467771       18.6254904651
  F        10.4803507695       13.7351309296       16.4311499208
  F        12.4014403510       14.3391856366       17.3057693778
  F        17.6329234464        4.8729251794       13.4888221588
  F        17.3774878121        6.5264003698       12.0305447376
  F        15.6557625318        5.2713703090       12.6111637587
  C        16.7867379941        5.8811613581       13.0908449470
  H        10.7124521153       11.2909151153       18.9760320324
  H        13.0667075475       12.4666412255       15.5758803669
  H        13.1166290695        8.3779869524       16.9068706378
  H        15.5356236221       11.9465876127       16.2906066194
  H        17.7949364468       13.9117232300       13.1965427613
  H        15.1052556453       10.7012225327       12.2011470269
  H        12.7467304175       11.7044735383       13.0251115440
  H        10.2243029486        8.9086118387       10.9427653369
  H        13.0302984945        7.4918375045       13.8704212393
  H        15.6502273329        9.2409860859       17.1218850220
  H        17.8113602031        5.8500703434       15.5963854663
  H        15.1269372290        7.9947116351       13.0288258754
  F         2.7300211948       18.6291944508       20.1029049383
  C         2.7348732951       18.2960823098       18.7727414574
  F         1.4141348339       18.0763344380       18.4779220397
  F         3.3546090184       17.0872200703       18.6333235628
  C         3.3527768667       19.3610166245       17.9230740342
  C         4.1858268550       19.0322293370       16.8502583963
  C         4.6892051606       20.0142108704       15.9771694473
  C         4.2624700740       21.3327791487       16.2183440498
  C         3.4424406928       21.6639977583       17.3052932087
  C         2.9892882975       20.6838095151       18.1839303918
  C         2.9248199491       23.0646612688       17.4358608206
  F         2.3000935650       23.2930635680       18.6240718945
  F         3.9022138891       24.0251699719       17.3052525182
  F         1.9930839359       23.2937593630       16.4323232155
  B         5.6132933491       19.6419946161       14.6709500409
  C         6.6642910313       18.4268725028       14.9665464252
  C         7.2824456059       18.2935688115       16.2226560027
  C         8.2447727601       17.3109028622       16.4690407177
  C         8.6321877418       16.4106682286       15.4760592837
  C         8.0532691922       16.5467762562       14.2146807093
  C         7.1047874996       17.5466650469       13.9619576690
  C         8.4238789396       15.5978477103       13.1145873916
  F         7.3132802817       15.0311076021       12.5392714121
  F         9.2156087402       14.5694111588       13.5621363266
  F         9.1080371818       16.2276689700       12.1003337378
  C         8.7834900112       17.1554958624       17.8524192499
  F         8.9105257585       18.3672467114       18.4842113355
  F        10.0140568465       16.5640052665       17.8930630511
  F         7.9542440157       16.3794108235       18.6298421413
  C         6.6250858367       20.8609090769       14.2684716357
  C         7.2004517781       21.7120432138       15.2300268163
  C         8.1659182300       22.6663724027       14.8905536088
  C         8.6069899088       22.8076541537       13.5714052273
  C         8.0444233488       21.9717485121       12.6064500587
  C         7.0823479100       21.0175840693       12.9502307631
  C         8.4055446329       22.1111113553       11.1589872819
  F         8.8237054737       20.9043140054       10.6309417963
  F         9.3807586633       23.0317973608       10.9267075229
  F         7.3258023187       22.5144121998       10.4092631403
  C         8.6828071934       23.5855995104       15.9568202186
  F         9.6020716339       24.4691355999       15.4766199694
  F         7.6878932237       24.3577497463       16.5044166161
  F         9.2711685014       22.8897014008       17.0035430133
  C         4.5484761050       19.2799130059       13.4775066936
  C         4.0573109446       17.9767397287       13.2694361026
  C         3.0908140837       17.6928930954       12.2929397983
  C         2.5741779786       18.7068400612       11.4856705908
  C         3.0278106887       20.0142190150       11.6952545684
  C         3.9886972726       20.2915099504       12.6713444536
  C         2.4022764671       21.1123054316       10.8833170751
  F         2.3723552593       20.7828712947        9.5403249238
  F         1.0931878809       21.3328455857       11.2591707084
  F         3.0372322700       22.3173616761       10.9973359618
  C         2.5108604508       16.3082900171       12.1870587320
  F         1.9324916563       16.0517616714       10.9841550778
  F         3.4286482899       15.3131317707       12.3964880734
  F         1.5229862454       16.1214740576       13.1300327005
  H         4.4342568586       17.9886161319       16.6868662658
  H         4.5707762925       22.1274069500       15.5366041385
  H         2.3500335123       20.9434669764       19.0241622900
  H         7.0104492482       18.9726116838       17.0293232155
  H         9.3503705298       15.6244145848       15.6847967117
  H         6.6972269640       17.6334083010       12.9554671249
  H         6.8885520766       21.6380699298       16.2712607094
  H         9.3487571885       23.5531255394       13.3038784117
  H         6.6780117139       20.3820511556       12.1646540811
  H         4.4333281753       17.1579488176       13.8826194861
  H         1.8348101399       18.4836026624       10.7212807765
  H         4.3132709949       21.3218278996       12.8036028452
  F        15.6172455110        1.2758681139       -0.2920993523
  C        15.6607670883        1.6666922256        1.0291471417
  F        16.9912969898        1.8959719480        1.3183406837
  F        15.0492399090        2.8834330758        1.1004769490
  C        15.0697556184        0.6104478840        1.9271089242
  C        14.2485724599        0.9260752803        3.0168711845
  C        13.7537033565       -0.0701778767        3.8875985175
  C        14.2002816079       -1.3810127163        3.6559119422
  C        15.0042226019       -1.7050250136        2.5592676626
  C        15.4292869660       -0.7191056802        1.6683703601
  C        15.4677216864       -3.1197233050        2.3840923017
  F        16.0482972019       -3.3178958941        1.1721885379
  F        14.4477721547       -4.0428757320        2.4970238278
  F        16.4089868787       -3.4516402422        3.3557053595
  B        12.8002524252        0.2611410122        5.1767561984
  C        11.7321387873        1.4641854913        4.8633028814
  C        11.1205444606        1.5697186661        3.5970106422
  C        10.1453116725        2.5355465484        3.3251583274
  C         9.7286988670        3.4352228662        4.3116372274
  C        10.3097974370        3.3384739263        5.5729950992
  C        11.2854337630        2.3666767774        5.8448327839
  C         9.9377133404        4.3052372377        6.6587056190
  F        11.0546045613        4.8851599316        7.1935079345
  F         9.1282924924        5.3302548186        6.2347417931
  F         9.3018880343        3.6788344227        7.7014486284
  C         9.6264529542        2.7138620442        1.9310194995
  F         9.4966154168        1.5302994231        1.2483614961
  F         8.4051179767        3.3407067828        1.9054860349
  F        10.4677556120        3.4714647391        1.1694184727
  C        11.8137358279       -0.9895542753        5.5646501489
  C        11.2870910811       -1.8780109427        4.6079783314
  C        10.3071782347       -2.8230993432        4.9334575010
  C         9.8242582828       -2.9422925251        6.2397359793
  C        10.3451590037       -2.0794005371        7.2024128195
  C        11.3110897276       -1.1228465261        6.8702516709
  C         9.9451308778       -2.1903753834        8.6411520088
  F         9.5857195358       -0.9747818091        9.1685037911
  F         8.9065725198       -3.0506572375        8.8711870190
  F        11.0138341254       -2.6151706927        9.3945352418
  C         9.7556965262       -3.7023914048        3.8515832490
  F         8.8177894132       -4.5681277107        4.3255884538
  F        10.7203981100       -4.4545270281        3.2269877904
  F         9.1425024134       -2.9679708068        2.8576423638
  C        13.8600326051        0.6107817903        6.3730588083
  C        14.3504019911        1.9092899939        6.5881916375
  C        15.3221397413        2.1888652834        7.5600392154
  C        15.8492130934        1.1758902535        8.3577241646
  C        15.4103412895       -0.1312975295        8.1224008809
  C        14.4434814725       -0.4080279812        7.1529891014
  C        16.0241064510       -1.2305656109        8.9301872799
  F        16.0424175907       -0.8777136681       10.2670708908
  F        17.3293624486       -1.4920467210        8.5817585527
  F        15.3726634804       -2.4178557919        8.8059552751
  C        15.8742146350        3.5790614876        7.6500753956
  F        16.4724400628        3.8596207637        8.8513230424
  F        14.9153454385        4.5293192924        7.4133473767
  F        16.8251918524        3.7865537062        6.6740444317
  H        13.9919304646        1.9691812365        3.1966329770
  H        13.9140275259       -2.1741576206        4.3456765357
  H        16.0387750388       -0.9770871752        0.8066299994
  H        11.4147029202        0.8818152994        2.8048013001
  H         8.9855373188        4.1967101379        4.0949524585
  H        11.7105931869        2.3251987032        6.8466504725
  H        11.6428432287       -1.8375149241        3.5790474361
  H         9.0822772861       -3.6897710855        6.5015640059
  H        11.6778505739       -0.4625944773        7.6546092162
  H        13.9722791765        2.7317437228        5.9833903594
  H        16.5793872418        1.3960117302        9.1333720780
  H        14.1406583707       -1.4425225387        7.0031098684
  H        10.7868931400       11.7864160690        4.7933082858
  H        11.6514866457       10.0960760285        3.1760622204
     646
 i =       76, E =         0.0011982850
 Rh         3.6298013586        0.2332972849        4.8165845773
  P         5.3847453631        0.6383295249        6.2782965492
  C         5.2374720109       -0.2805813948        7.8760989268
  C         4.8158117804       -1.7467514164        7.6745052316
  C         4.5361843649       -2.4162225447        9.0301773424
  C         5.7202689109       -2.2804465258        9.9992814855
  C         6.1929322096       -0.8261025660       10.1431334967
  C         6.4775183984       -0.1755103850        8.7785009120
  C         5.6739239571        2.4028068626        6.7907964845
  C         4.6604052563        2.8092902980        7.8862552398
  C         4.6001756707        4.3221951823        8.1608947673
  C         4.5297128602        5.1455544662        6.8718921181
  C         5.7156009674        4.7933792249        5.9712951291
  C         5.6141422499        3.3221678390        5.5540035572
  C         6.9961128654        0.0920974870        5.5084543552
  C         6.9604134713        0.2316253241        3.9789758411
  P         5.3017847100       -0.2375649823        3.2799244753
  C         5.4391357456       -2.0262917905        2.7713847968
  C         4.3265768946       -2.4107479226        1.7754283149
  C         4.3753012773       -3.9045392466        1.4363946733
  C         4.2299791526       -4.7561236101        2.6989343763
  C         5.3488091196       -4.4305145448        3.6936202574
  C         5.3931366816       -2.9279333176        4.0264456367
  C         5.1645952763        0.7155178684        1.6995423471
  C         4.8955160113        2.2175338012        1.9176703412
  C         4.4340594194        2.8356895210        0.5874816265
  C         5.4775257196        2.6298068364       -0.5233908582
  C         5.9132130993        1.1596071888       -0.6546894563
  C         6.3246256196        0.5509368930        0.6998993625
  C         1.8721027513        0.3111962431        3.4659161668
  C         1.8997890712       -0.9436582388        4.0800866082
  C         1.0599908157       -0.8312398377        5.3641952698
  C         1.9199658309        0.0961526963        6.2493459945
  C         1.8883968998        1.3521908720        5.6411539343
  C         1.0106550658        1.2100757042        4.3801722360
  C        -0.0270334122        0.1732572769        4.8929091915
  H         4.4033627634        0.2345805018        8.3803597322
  H         5.6076241523       -2.2951581958        7.1435973845
  H         3.9233805053       -1.7896908051        7.0324726289
  H         4.2935776770       -3.4770707294        8.8769251715
  H         3.6411339878       -1.9558149437        9.4720061519
  H         5.4412147206       -2.6837322702       10.9832566549
  H         6.5570558175       -2.8956040543        9.6422767937
  H         7.0997252092       -0.7791467823       10.7639504649
  H         5.4190919634       -0.2378894437       10.6609963723
  H         6.7843054555        0.8692796268        8.9182336490
  H         7.3234619935       -0.6841340245        8.2991478396
  H         6.6929618239        2.4543966715        7.2071195937
  H         4.9100185000        2.2911307592        8.8220345077
  H         3.6587950475        2.4575022229        7.6023417868
  H         5.4904935405        4.6309582747        8.7270374748
  H         3.7354519097        4.5271968083        8.8082505632
  H         4.5062432356        6.2170660366        7.1103873632
  H         3.5953416293        4.9311062300        6.3318732209
  H         6.6537826299        4.9563917964        6.5201889619
  H         5.7598365319        5.4356748529        5.0832819112
  H         6.4117991181        3.0600478000        4.8442082073
  H         4.6613727995        3.1573213201        5.0243855739
  H         7.8322718603        0.6609184882        5.9395350183
  H         7.1433667411       -0.9584385364        5.7962325421
  H         7.7601186300       -0.3491012913        3.4970360323
  H         7.1099272982        1.2813911729        3.6895253790
  H         6.4144857987       -2.1483008125        2.2714092132
  H         4.3903582934       -1.8124012189        0.8578986145
  H         3.3457348528       -2.1897730606        2.2138087590
  H         5.3284814553       -4.1375029268        0.9393881367
  H         3.5796038831       -4.1369660870        0.7181457551
  H         4.2324322923       -5.8240536061        2.4408681425
  H         3.2497303375       -4.5614126231        3.1592705242
  H         5.2128284251       -4.9926865073        4.6300374602
  H         6.3145105562       -4.7478604869        3.2743326813
  H         6.2585301671       -2.7218880086        4.6725402813
  H         4.4989042522       -2.6567610764        4.6110878816
  H         4.2586206928        0.2891403592        1.2383428367
  H         5.8192746305        2.7131627016        2.2533164450
  H         4.1469066376        2.3726072722        2.7088047402
  H         4.2217601813        3.9060196991        0.7158448810
  H         3.4834504288        2.3642324944        0.2968427114
  H         6.3595462245        3.2507900914       -0.3099996162
  H         5.0746449262        2.9884375756       -1.4817843820
  H         6.7460229829        1.0764240867       -1.3684934158
  H         5.0823979243        0.5655466465       -1.0678421422
  H         7.2066645195        1.0783178500        1.0836392723
  H         6.6178286414       -0.4987694590        0.5723276727
  H         2.1206206440        0.5409415695        2.4334238381
  H         2.1769141867       -1.8925966317        3.6318335713
  H         0.7444565554       -1.7761117210        5.8131352117
  H         2.1924053438       -0.1245103362        7.2772643549
  H         2.1398915166        2.3045670888        6.0986754787
  H         0.6457424287        2.1405565102        3.9379781274
  H        -0.6388443359        0.5541914378        5.7166873724
  H        -0.6648527896       -0.2273304249        4.0994645103
 Rh        14.7189180087       19.6368501595       14.9666025245
  P        12.9406177632       19.2005516845       13.5229157438
  C        13.1076148247       20.1872930240       11.9630972682
  C        13.4994700923       21.6549255142       12.2126955448
  C        13.8447667243       22.3453607734       10.8827031804
  C        12.6906775233       22.2444176245        9.8754044126
  C        12.2658257498       20.7841844412        9.6620355165
  C        11.9247142297       20.0814904028       10.9891104699
  C        12.6406456850       17.4608352220       12.9267280806
  C        13.6510449690       17.0378295672       11.8381034638
  C        13.5816443611       15.5311582449       11.5418221109
  C        13.7891515672       14.7217489455       12.8247297027
  C        12.6803956621       15.0447476650       13.8305639358
  C        12.6640520425       16.5426893838       14.1680886809
  C        11.3194485425       19.6608478341       14.3496213599
  C        11.4176169786       19.6829294572       15.8879731759
  P        13.0989133023       20.1757240377       16.5243676087
  C        12.9518981449       21.9784182202       16.9657543508
  C        13.9868720513       22.4550191027       18.0099418343
  C        14.0089195559       23.9902919781       18.1592021923
  C        14.0764325807       24.7332425934       16.8199622919
  C        12.9355834062       24.2852020952       15.9054730247
  C        13.0656961714       22.7807354002       15.6533587728
  C        13.3212802770       19.2275878839       18.1025058606
  C        13.5738324184       17.7359013962       17.8070359064
  C        14.0392005645       17.0183437327       19.0809762486
  C        13.0107424226       17.1646691057       20.2134940482
  C        12.6152108904       18.6331225955       20.4557456246
  C        12.2161997644       19.3778320111       19.1628814629
  C        16.4321516096       19.6432218898       16.3539107163
  C        16.4579866529       20.8320393128       15.6150302971
  C        17.3316896981       20.5604028485       14.3751610827
  C        16.4632981517       19.5746109361       13.5616808390
  C        16.4333508495       18.3875685087       14.2957764103
  C        17.2842977669       18.6290029063       15.5608401078
  C        18.3719107627       19.5788169159       14.9842335547
  H        13.9778033926       19.7000660218       11.4912113231
  H        12.6705092045       22.1877518800       12.7005772185
  H        14.3536165690       21.6971406593       12.9054464929
  H        14.1122737386       23.3954528997       11.0617803653
  H        14.7404329710       21.8652247026       10.4614721017
  H        12.9870792729       22.6969210561        8.9179083370
  H        11.8312102679       22.8257479214       10.2375335344
  H        11.3997562221       20.7274264978        8.9866910445
  H        13.0891222284       20.2390873099        9.1739406628
  H        11.6628369760       19.0335699352       10.7968752486
  H        11.0355019969       20.5455784227       11.4336907759
  H        11.6315472137       17.4430069118       12.4828447828
  H        13.4651618504       17.6032734997       10.9147202467
  H        14.6741910927       17.2903331759       12.1530333834
  H        12.6013915406       15.2805125262       11.1099385785
  H        14.3325552231       15.2722689277       10.7819549552
  H        13.8214400877       13.6459076995       12.6049001884
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 Rh        12.6622414261        9.7822792791        4.7005189087
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  F        11.2166486507        9.0171351946       20.2247539964
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  C        13.2466258173       10.3736348892       16.0820017602
  C        12.7819050139        9.4089189346       17.0001940662
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  C        15.7820291416       12.0384467838       15.2330964296
  C        16.7074646684       13.0138767344       14.8413726911
  C        17.0846732948       13.1497149939       13.5006208773
  C        16.5012899221       12.2891408199       12.5624764753
  C        15.5554073116       11.3375999406       12.9612590018
  C        16.8398765391       12.3981758152       11.0974476008
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  F        15.7542032270       12.8158312618       10.3463373175
  F        17.2356070903       11.1909789148       10.5622749446
  C        17.2405169631       13.9403718251       15.8981424951
  F        16.2464042162       14.6718511207       16.4973392868
  F        18.1480420145       14.8380803934       15.4061189793
  F        17.8392267413       13.2540013986       16.9357968875
  C        13.0591166692        9.6401411778       13.5945914966
  C        12.4471125949       10.6712586959       12.8506469090
  C        11.4586681362       10.4141161652       11.8893788808
  C        11.0205793254        9.1103491968       11.6529381799
  C        11.6023719937        8.0728985576       12.3841956268
  C        12.6016459853        8.3326091851       13.3281352932
  C        11.0279218556        6.6990568081       12.2313152361
  F        10.4975038907        6.4944411544       10.9948560961
  F        11.9221658319        5.6915809932       12.4648086772
  F        10.0066687753        6.4973235415       13.1307422079
  C        10.9013833504       11.5262749800       11.0449872300
  F         9.7392322556       11.1775375041       10.4124977257
  F        10.6226992886       12.6628745431       11.7458468493
  F        11.7649527746       11.8845726096       10.0496439683
  C        15.2000766340        8.7439671862       15.0543345184
  C        15.8667234846        8.5715935860       16.2897621296
  C        16.8119987566        7.5571968594       16.4670217062
  C        17.1108685575        6.6614952173       15.4369918332
  C        16.4837892138        6.8315194637       14.2102889028
  C        15.5683014846        7.8706418062       14.0164263216
  C        17.4854745253        7.2660519259       17.7715840850
  F        17.6140202242        8.3290583596       18.6231431288
  F        16.7942280592        6.3142215646       18.4814264855
  F        18.7601185617        6.7890875290       17.5417564786
  C        11.3896355973       13.4254236268       17.4287073258
  F        10.7855120620       13.6681771882       18.6258494932
  F        10.4800659033       13.7347748600       16.4308899111
  F        12.4019161881       14.3393083701       17.3057648758
  F        17.6285081075        4.8720009706       13.4868313394
  F        17.3761788836        6.5268539606       12.0280952558
  F        15.6568761919        5.2682110176       12.6114294076
  C        16.7893378559        5.8808022717       13.0927451575
  H        10.7135734995       11.2910075379       18.9767792080
  H        13.0677580616       12.4665871283       15.5765817770
  H        13.1153958826        8.3773806243       16.9053037231
  H        15.5340283142       11.9482573639       16.2897924602
  H        17.7951334854       13.9119309399       13.1963111299
  H        15.1065747433       10.7004699795       12.2006799252
  H        12.7465588103       11.7040723477       13.0247065063
  H        10.2262983465        8.9082003226       10.9407992771
  H        13.0288267396        7.4917076807       13.8733561222
  H        15.6491885826        9.2407950753       17.1223645299
  H        17.8123869610        5.8494642307       15.5963745485
  H        15.1277120017        7.9939777803       13.0303716500
  F         2.7329321187       18.6350028208       20.1046808172
  C         2.7350736683       18.2914540944       18.7736444016
  F         1.4101402111       18.0819709754       18.4718916815
  F         3.3618156033       17.0878653645       18.6311191141
  C         3.3500377056       19.3589110968       17.9247674539
  C         4.1852651525       19.0340778035       16.8498667950
  C         4.6912996780       20.0170255036       15.9737920089
  C         4.2634283529       21.3337517631       16.2174132451
  C         3.4430142105       21.6648532919       17.3036573158
  C         2.9883810152       20.6851082864       18.1826650813
  C         2.9243965132       23.0652456601       17.4359462658
  F         2.2996075668       23.2921197799       18.6248395694
  F         3.9026362758       24.0243450733       17.3050306243
  F         1.9935184772       23.2925736791       16.4322747232
  B         5.6125018535       19.6418574323       14.6717608406
  C         6.6645681268       18.4259009378       14.9668240658
  C         7.2815201433       18.2931685472       16.2223396498
  C         8.2442843946       17.3109640375       16.4685432775
  C         8.6323004659       16.4107849224       15.4757156987
  C         8.0529174443       16.5468961550       14.2154192156
  C         7.1038739104       17.5458452431       13.9616907438
  C         8.4237888065       15.5977996428       13.1141647184
  F         7.3129308591       15.0307126312       12.5396278901
  F         9.2157459754       14.5691035488       13.5622641131
  F         9.1083947684       16.2278406755       12.1004396285
  C         8.7836364017       17.1554516410       17.8524260022
  F         8.9099802550       18.3676620163       18.4842497323
  F        10.0146007171       16.5637568164       17.8928364863
  F         7.9536125707       16.3791426022       18.6304356531
  C         6.6251776251       20.8607501108       14.2685760166
  C         7.2007535185       21.7119531186       15.2301001722
  C         8.1657160628       22.6665092918       14.8905632420
  C         8.6064225204       22.8081435495       13.5712369824
  C         8.0443997648       21.9721411640       12.6059114604
  C         7.0825059963       21.0177267049       12.9500631269
  C         8.4056999083       22.1112055781       11.1589286225
  F         8.8235754400       20.9043911179       10.6310630757
  F         9.3806000746       23.0317513730       10.9271078239
  F         7.3253264705       22.5144616918       10.4092675574
  C         8.6827225536       23.5856368029       15.9567404622
  F         9.6020075500       24.4691459839       15.4766225614
  F         7.6879033910       24.3576063638       16.5045194409
  F         9.2708713395       22.8897295584       17.0034744208
  C         4.5482523748       19.2799159641       13.4776059297
  C         4.0572727419       17.9769406291       13.2698115869
  C         3.0905284570       17.6924587095       12.2935129202
  C         2.5737149407       18.7069812404       11.4864902697
  C         3.0272154459       20.0153929959       11.6954373097
  C         3.9879872849       20.2918030421       12.6715487389
  C         2.4032889112       21.1134656369       10.8843581070
  F         2.3719526236       20.7822769203        9.5395201527
  F         1.0926269860       21.3328666830       11.2598242629
  F         3.0362538599       22.3159877648       10.9978145503
  C         2.5103717425       16.3083778582       12.1867466203
  F         1.9326216745       16.0518768356       10.9843997186
  F         3.4285944060       15.3133125482       12.3967955497
  F         1.5233896335       16.1214700949       13.1300917906
  H         4.4357213312       17.9856249615       16.6855824776
  H         4.5710483930       22.1260976724       15.5385663768
  H         2.3490533909       20.9418553681       19.0227405031
  H         7.0094302171       18.9716620718       17.0294488403
  H         9.3511502363       15.6248195938       15.6845136830
  H         6.6959638462       17.6318988173       12.9559756130
  H         6.8890149248       21.6376394165       16.2709759911
  H         9.3476378877       23.5541742041       13.3034437760
  H         6.6779129152       20.3819531242       12.1642756996
  H         4.4329385516       17.1585065424       13.8823302395
  H         1.8331696464       18.4840595890       10.7218342880
  H         4.3124204195       21.3222374559       12.8041342964
  F        15.6193173540        1.2737827382       -0.2930358059
  C        15.6608600267        1.6673085675        1.0289542984
  F        16.9902849338        1.8955433167        1.3191952478
  F        15.0493391344        2.8841261934        1.1025288662
  C        15.0702794961        0.6105741470        1.9269890403
  C        14.2478306652        0.9259769944        3.0162775689
  C        13.7528253314       -0.0701741352        3.8873193327
  C        14.1995896595       -1.3808493812        3.6551513470
  C        15.0044600596       -1.7050096909        2.5589413888
  C        15.4303274128       -0.7187099409        1.6685569765
  C        15.4677973966       -3.1205856674        2.3846967765
  F        16.0484301376       -3.3176000548        1.1717603722
  F        14.4480276683       -4.0422307275        2.4967594402
  F        16.4087440129       -3.4510535866        3.3553710010
  B        12.8002609368        0.2616354749        5.1762188136
  C        11.7317982487        1.4651851267        4.8622968761
  C        11.1206165294        1.5707093129        3.5963828408
  C        10.1457444096        2.5362815162        3.3258710440
  C         9.7284251169        3.4360933231        4.3107396224
  C        10.3099593748        3.3385036603        5.5717671720
  C        11.2855832816        2.3670792882        5.8441199077
  C         9.9378323527        4.3058204331        6.6590396341
  F        11.0549302031        4.8853099295        7.1935733345
  F         9.1282446165        5.3303730823        6.2345152142
  F         9.3016538557        3.6786666634        7.7018493579
  C         9.6236180268        2.7112473384        1.9332178621
  F         9.4970252949        1.5325513283        1.2492873971
  F         8.4049142109        3.3394923434        1.9044085841
  F        10.4706210991        3.4732909466        1.1653355072
  C        11.8128364165       -0.9888399932        5.5641015219
  C        11.2859713796       -1.8766827870        4.6073397463
  C        10.3068840558       -2.8223146713        4.9332839617
  C         9.8240826888       -2.9417866960        6.2394985370
  C        10.3450055306       -2.0790057341        7.2022967432
  C        11.3107651527       -1.1224112112        6.8700519711
  C         9.9455807099       -2.1897982300        8.6412508866
  F         9.5860713441       -0.9748345572        9.1684143376
  F         8.9062399504       -3.0512369261        8.8710201037
  F        11.0136881410       -2.6150571056        9.3942896229
  C         9.7555411819       -3.7021418546        3.8515838613
  F         8.8178126324       -4.5682128309        4.3254130249
  F        10.7205469381       -4.4544011896        3.2272677666
  F         9.1425970297       -2.9681106129        2.8572676845
  C        13.8597368396        0.6104819069        6.3726322938
  C        14.3503588887        1.9098643017        6.5878764331
  C        15.3222662262        2.1884521112        7.5595241196
  C        15.8502582007        1.1762815007        8.3567284904
  C        15.4100903808       -0.1315900575        8.1214608599
  C        14.4431308114       -0.4072081024        7.1528323429
  C        16.0242067284       -1.2303474239        8.9300476456
  F        16.0424828779       -0.8775249446       10.2670489070
  F        17.3295588084       -1.4918903960        8.5814714081
  F        15.3723787344       -2.4182107859        8.8057167348
  C        15.8741740666        3.5792757003        7.6498757913
  F        16.4723765920        3.8595354136        8.8509982079
  F        14.9154435304        4.5292907780        7.4132551274
  F        16.8253883943        3.7868558661        6.6737606352
  H        13.9903880905        1.9691619397        3.1955188314
  H        13.9125489942       -2.1745499121        4.3444528260
  H        16.0408779907       -0.9763714866        0.8079833759
  H        11.4147793294        0.8831675827        2.8039435231
  H         8.9861277435        4.1973616577        4.0949998832
  H        11.7109105953        2.3253970139        6.8464727263
  H        11.6407511448       -1.8353529178        3.5785548358
  H         9.0821114685       -3.6892615861        6.5015353678
  H        11.6780502810       -0.4621352225        7.6545816705
  H        13.9718685151        2.7322356951        5.9832493269
  H        16.5808956010        1.3956815698        9.1308996324
  H        14.1393234498       -1.4423131652        7.0032472744
  H        10.7882159500       11.7850095074        4.7926780017
  H        11.6491268530       10.0947918153        3.1741321262
     646
 i =       77, E =         0.0099523844
 Rh         3.6303629102        0.2335291790        4.8165982640
  P         5.3847879954        0.6383468262        6.2785326243
  C         5.2367859392       -0.2815927181        7.8758066491
  C         4.8165737413       -1.7481851267        7.6743967449
  C         4.5364293375       -2.4169053641        9.0301310585
  C         5.7205393506       -2.2818361683        9.9990592344
  C         6.1926930381       -0.8273935714       10.1428151704
  C         6.4765387256       -0.1764329135        8.7783893482
  C         5.6738161718        2.4029752147        6.7913306168
  C         4.6596348604        2.8097737930        7.8859194545
  C         4.6008576092        4.3225258196        8.1611042646
  C         4.5301211732        5.1463228071        6.8724792251
  C         5.7148060780        4.7938819783        5.9705558222
  C         5.6148094190        3.3222706418        5.5544256267
  C         6.9961767405        0.0919374541        5.5090380526
  C         6.9610280535        0.2312641193        3.9795137912
  P         5.3020734320       -0.2375602165        3.2805675436
  C         5.4398395300       -2.0262287787        2.7722477463
  C         4.3283797951       -2.4103318347        1.7750772144
  C         4.3753200931       -3.9041793296        1.4372255081
  C         4.2304898770       -4.7558821832        2.6998892987
  C         5.3497517968       -4.4303890413        3.6941256973
  C         5.3936720091       -2.9279325938        4.0274456778
  C         5.1629943666        0.7150922151        1.6999826274
  C         4.8937426778        2.2170745417        1.9178889468
  C         4.4341187548        2.8358998813        0.5874022381
  C         5.4781488809        2.6300518651       -0.5227025641
  C         5.9127095973        1.1596362431       -0.6543921938
  C         6.3225439871        0.5497167364        0.7000949914
  C         1.8724168150        0.3114528874        3.4661431242
  C         1.9001153497       -0.9434271312        4.0807365391
  C         1.0606161896       -0.8303078853        5.3651798546
  C         1.9210499571        0.0972169580        6.2496107922
  C         1.8896866898        1.3527322006        5.6412313306
  C         1.0114538709        1.2107957304        4.3806396108
  C        -0.0259944696        0.1740490173        4.8932247847
  H         4.4020229562        0.2329510453        8.3798457179
  H         5.6096869252       -2.2961008368        7.1447252290
  H         3.9247914596       -1.7928100561        7.0311686617
  H         4.2921902839       -3.4776961390        8.8775174944
  H         3.6419560781       -1.9551239725        9.4721039928
  H         5.4414953125       -2.6851416513       10.9831518530
  H         6.5572751595       -2.8971643869        9.6421346162
  H         7.0996571121       -0.7797515000       10.7635869233
  H         5.4184650025       -0.2397857657       10.6609337193
  H         6.7833380476        0.8685000816        8.9182066585
  H         7.3224588299       -0.6848351644        8.2984550536
  H         6.6926216126        2.4545561346        7.2084945717
  H         4.9075402335        2.2907226442        8.8217609273
  H         3.6578985390        2.4592714472        7.6006954094
  H         5.4917415316        4.6303889421        8.7269228393
  H         3.7365980602        4.5281193519        8.8091003946
  H         4.5079774798        6.2178512613        7.1115007594
  H         3.5948775282        4.9332283639        6.3333456500
  H         6.6537724062        4.9589160110        6.5175581767
  H         5.7566679808        5.4351983800        5.0815640474
  H         6.4137242193        3.0606076545        4.8456480589
  H         4.6629221411        3.1563433954        5.0235167870
  H         7.8325151554        0.6604551167        5.9404928908
  H         7.1430110466       -0.9586324398        5.7969063562
  H         7.7603845473       -0.3502179922        3.4981179603
  H         7.1115672442        1.2809678801        3.6898491669
  H         6.4155159496       -2.1482707573        2.2731443948
  H         4.3955426320       -1.8131139103        0.8568204204
  H         3.3466947838       -2.1863479875        2.2107718807
  H         5.3279626209       -4.1380343439        0.9395854903
  H         3.5789125622       -4.1364399888        0.7195842677
  H         4.2332259352       -5.8236538149        2.4413868435
  H         3.2505969009       -4.5615807820        3.1607976373
  H         5.2144328506       -4.9930057589        4.6303719892
  H         6.3154866137       -4.7472394645        3.2743094639
  H         6.2591113614       -2.7218317879        4.6733291483
  H         4.4995284473       -2.6571918868        4.6122686689
  H         4.2566347035        0.2882521270        1.2399939054
  H         5.8169040878        2.7125916127        2.2552649526
  H         4.1438003592        2.3718233229        2.7079136294
  H         4.2221678482        3.9063853781        0.7161669264
  H         3.4834136938        2.3652033760        0.2955149959
  H         6.3605223584        3.2505165337       -0.3087044001
  H         5.0760617649        2.9893363493       -1.4813093751
  H         6.7461960293        1.0759809968       -1.3674112218
  H         5.0817313865        0.5666742448       -1.0687221342
  H         7.2054504156        1.0752926983        1.0844173528
  H         6.6138734357       -0.5004482650        0.5719691591
  H         2.1196993546        0.5405138648        2.4333352361
  H         2.1765226969       -1.8923952921        3.6324275815
  H         0.7450343901       -1.7748935595        5.8145545735
  H         2.1951184602       -0.1238510406        7.2773244329
  H         2.1431020270        2.3054278926        6.0976875852
  H         0.6468149380        2.1413351206        3.9385048160
  H        -0.6393438610        0.5548933843        5.7162173648
  H        -0.6630134851       -0.2270523907        4.0989284201
 Rh        14.7188871078       19.6367216208       14.9672878187
  P        12.9413151759       19.2007110719       13.5232970093
  C        13.1087006374       20.1873192349       11.9631407498
  C        13.4996332523       21.6551237624       12.2122530459
  C        13.8449180117       22.3457760120       10.8826878974
  C        12.6908342794       22.2447562350        9.8756107499
  C        12.2655156206       20.7847130418        9.6625758709
  C        11.9254077229       20.0818340196       10.9896827431
  C        12.6415540896       17.4604863347       12.9284604598
  C        13.6517559135       17.0377174781       11.8396280127
  C        13.5824038673       15.5312902824       11.5424805016
  C        13.7889939492       14.7209232819       12.8248576494
  C        12.6805557486       15.0442299148       13.8308575580
  C        12.6651153135       16.5419566474       14.1695797409
  C        11.3201153868       19.6621453548       14.3488158689
  C        11.4171517575       19.6825710952       15.8871355354
  P        13.0983122566       20.1753997377       16.5239203544
  C        12.9508473716       21.9780537281       16.9652903402
  C        13.9868501083       22.4537630488       18.0086465685
  C        14.0082651760       23.9886711719       18.1596851290
  C        14.0767172443       24.7323643389       16.8209217514
  C        12.9360884549       24.2856675236       15.9055046505
  C        13.0632669333       22.7810003627       15.6531197192
  C        13.3218876369       19.2274767863       18.1019686071
  C        13.5749676261       17.7357617750       17.8070543560
  C        14.0392020271       17.0183049333       19.0815658538
  C        13.0098772028       17.1651591512       20.2131698704
  C        12.6157448839       18.6338288761       20.4553838882
  C        12.2169739480       19.3779996720       19.1623247078
  C        16.4328539977       19.6428504036       16.3538261617
  C        16.4582681732       20.8310942329       15.6156725100
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 Rh        12.6621941768        9.7836407638        4.7001772013
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  H         2.8895044405       10.5974303608        2.7277144790
  H         0.5824284443       13.9730823550        4.0632975466
  H         3.1688553622       11.9021956257        6.8126372701
  F         9.9828975536        8.3890230923       18.4855073838
  C        11.2753766229        8.6566393074       18.8885473130
  F        11.9351853421        7.4700196695       18.8448339280
  F        11.2168452988        9.0171700929       20.2245438152
  C        11.8820720510        9.7271083523       18.0251063356
  C        11.4230026378       11.0377303954       18.1929150748
  C        11.8808912716       12.0113279019       17.3045430023
  C        12.7606560077       11.6805725484       16.2650664321
  C        13.2467831710       10.3742572708       16.0815988921
  C        12.7814320922        9.4080734614       16.9993664573
  B        14.1587969411        9.9797104596       14.7720516875
  C        15.1639502956       11.1845775847       14.3043542469
  C        15.7811190957       12.0394460608       15.2323731456
  C        16.7071358789       13.0144027809       14.8412982535
  C        17.0848195486       13.1499492426       13.5002524026
  C        16.5017811120       12.2893814530       12.5622236727
  C        15.5561589316       11.3372946391       12.9608391735
  C        16.8399739827       12.3983518762       11.0973653928
  F        17.8570683061       13.2702061571       10.8535646020
  F        15.7542861220       12.8158521057       10.3463944217
  F        17.2356372072       11.1908895081       10.5621771934
  C        17.2403888900       13.9405077127       15.8980331089
  F        16.2464600220       14.6718550762       16.4972893912
  F        18.1480545018       14.8381990331       15.4061366141
  F        17.8391542803       13.2540269567       16.9356613003
  C        13.0586104905        9.6404246888       13.5946204680
  C        12.4471940419       10.6715641662       12.8504262254
  C        11.4590535218       10.4135199293       11.8890682944
  C        11.0216303533        9.1100263533       11.6517978264
  C        11.6022187747        8.0731628320       12.3840656592
  C        12.6006338397        8.3332556809       13.3294012587
  C        11.0277810035        6.6989693769       12.2312864806
  F        10.4975983042        6.4945808625       10.9948898250
  F        11.9222148377        5.6916258897       12.4649119824
  F        10.0067862858        6.4974273653       13.1307553083
  C        10.9009110823       11.5268560323       11.0456266981
  F         9.7389789364       11.1772161874       10.4123900073
  F        10.6221621422       12.6625885882       11.7461905191
  F        11.7663839501       11.8840350875       10.0473397393
  C        15.2001117949        8.7433791109       15.0534992438
  C        15.8662122970        8.5711345738       16.2893260762
  C        16.8119463901        7.5570096516       16.4669285485
  C        17.1109536021        6.6616289730       15.4365222426
  C        16.4833060050        6.8317979846       14.2101676922
  C        15.5680436551        7.8704731541       14.0157827670
  C        17.4854260759        7.2662217236       17.7716740275
  F        17.6139446194        8.3286885972       18.6228286225
  F        16.7944269071        6.3143833161       18.4813335019
  F        18.7598298748        6.7891591977       17.5417143585
  C        11.3897628866       13.4253796243       17.4287466028
  F        10.7855492619       13.6680875970       18.6258396131
  F        10.4801598007       13.7346453323       16.4309824362
  F        12.4019492185       14.3393044131       17.3058216045
  F        17.6280041875        4.8703327551       13.4866267976
  F        17.3754496259        6.5269506606       12.0274586290
  F        15.6580364048        5.2675107035       12.6122905624
  C        16.7891550841        5.8814947805       13.0926762849
  H        10.7151123971       11.2911688154       18.9776332757
  H        13.0692382277       12.4668925907       15.5771807701
  H        13.1137023973        8.3769580191       16.9032473534
  H        15.5319273901       11.9503952479       16.2889323061
  H        17.7954216474       13.9122202267       13.1960520572
  H        15.1083521455       10.6995868942       12.2002801096
  H        12.7464884649       11.7043019183       13.0242413886
  H        10.2289302317        8.9077144451       10.9382373883
  H        13.0263372020        7.4924955237       13.8764489894
  H        15.6479424592        9.2401290677       17.1223319876
  H        17.8128658222        5.8496244641       15.5960204081
  H        15.1276965250        7.9933228669       13.0302794852
  F         2.7339075910       18.6363590577       20.1043429279
  C         2.7349336345       18.2894895412       18.7743108364
  F         1.4086674967       18.0844140970       18.4696864943
  F         3.3645600419       17.0881777735       18.6306712278
  C         3.3484644815       19.3583147354       17.9245868950
  C         4.1853051716       19.0340115826       16.8487494892
  C         4.6918875695       20.0185688264       15.9726949804
  C         4.2643727586       21.3341238142       16.2169142924
  C         3.4431204655       21.6652964733       17.3026767521
  C         2.9876231761       20.6847957097       18.1807101701
  C         2.9244169067       23.0650005513       17.4362123796
  F         2.2995427203       23.2918907320       18.6250759737
  F         3.9028541058       24.0241611098       17.3050518587
  F         1.9933053096       23.2923722271       16.4319309263
  B         5.6125619264       19.6416415704       14.6718258787
  C         6.6638807800       18.4253107284       14.9664695065
  C         7.2808706149       18.2924606045       16.2226116602
  C         8.2440332164       17.3108484276       16.4685412658
  C         8.6326944819       16.4109605998       15.4758897790
  C         8.0524422987       16.5465368573       14.2149372169
  C         7.1030490382       17.5447882275       13.9620894277
  C         8.4238043357       15.5976530137       13.1143199625
  F         7.3128607680       15.0306485077       12.5396996228
  F         9.2156425030       14.5692124401       13.5621874682
  F         9.1084120048       16.2278400973       12.1005109669
  C         8.7835189415       17.1553066894       17.8523716453
  F         8.9098146236       18.3675473155       18.4841472567
  F        10.0145626960       16.5639070108       17.8928320548
  F         7.9537387445       16.3792795513       18.6304820227
  C         6.6254156530       20.8605135182       14.2684183203
  C         7.2011193345       21.7116948605       15.2299544479
  C         8.1656235023       22.6667745004       14.8903801371
  C         8.6057662958       22.8088216971       13.5709223786
  C         8.0442599320       21.9725640027       12.6056777472
  C         7.0825973672       21.0177398053       12.9498142248
  C         8.4056134857       22.1113479927       11.1588162365
  F         8.8235517350       20.9044454282       10.6310622799
  F         9.3806500146       23.0318638989       10.9271813196
  F         7.3251591667       22.5144467062       10.4092680129
  C         8.6826785162       23.5856727950       15.9566596236
  F         9.6019778891       24.4691667601       15.4765988918
  F         7.6878435741       24.3575988723       16.5046143533
  F         9.2707253417       22.8897242357       17.0034114401
  C         4.5478205410       19.2800754455       13.4776518468
  C         4.0569545746       17.9772693983       13.2699238141
  C         3.0901485802       17.6927378136       12.2939337786
  C         2.5728271505       18.7073799852       11.4871958294
  C         3.0266050716       20.0157242922       11.6959416938
  C         3.9873653389       20.2922769893       12.6720078327
  C         2.4028653506       21.1134547203       10.8844531806
  F         2.3720453601       20.7821096751        9.5396093662
  F         1.0923537741       21.3329509003       11.2601351721
  F         3.0365406127       22.3163159437       10.9981130591
  C         2.5102680308       16.3084065038       12.1868051445
  F         1.9325235331       16.0518905606       10.9843420725
  F         3.4285882693       15.3134585857       12.3968774486
  F         1.5233146147       16.1214440624       13.1302596556
  H         4.4368863604       17.9850620007       16.6842790823
  H         4.5720834960       22.1262207789       15.5397091993
  H         2.3474268158       20.9404073671       19.0212054937
  H         7.0080866463       18.9704540170       17.0295459753
  H         9.3520767921       15.6254793717       15.6840778048
  H         6.6941907354       17.6299891678       12.9562602542
  H         6.8895981665       21.6370604900       16.2708781737
  H         9.3461803058       23.5555048487       13.3029361032
  H         6.6779072349       20.3819499891       12.1639429217
  H         4.4326652200       17.1589161417       13.8822573993
  H         1.8314988566       18.4847514093       10.7229751701
  H         4.3113902717       21.3227331047       12.8048644537
  F        15.6199723953        1.2736187822       -0.2929050660
  C        15.6607563952        1.6673725219        1.0286250471
  F        16.9900688475        1.8956127870        1.3195666116
  F        15.0495327421        2.8842776761        1.1030021203
  C        15.0705525431        0.6109310354        1.9269117617
  C        14.2469270280        0.9258858982        3.0154379108
  C        13.7519158497       -0.0700634261        3.8866501084
  C        14.1987020346       -1.3809765188        3.6541912532
  C        15.0046842895       -1.7050189760        2.5586856084
  C        15.4315505594       -0.7184526585        1.6691407455
  C        15.4678974738       -3.1204088381        2.3846440013
  F        16.0484373845       -3.3175607199        1.1716979852
  F        14.4480142833       -4.0421599325        2.4967230803
  F        16.4087619645       -3.4509804270        3.3553171303
  B        12.7998356541        0.2622490547        5.1755460124
  C        11.7320249455        1.4659384129        4.8612411314
  C        11.1209633625        1.5717069770        3.5956583822
  C        10.1456185874        2.5372694032        3.3256884604
  C         9.7286331335        3.4369709009        4.3104504907
  C        10.3098923505        3.3393583862        5.5711770119
  C        11.2857007652        2.3677443692        5.8434592304
  C         9.9380098471        4.3057900184        6.6589426218
  F        11.0553025740        4.8855036718        7.1936978784
  F         9.1281981794        5.3305979167        6.2345234629
  F         9.3017071448        3.6788477272        7.7018546335
  C         9.6236783930        2.7119487277        1.9330187015
  F         9.4971652536        1.5329311478        1.2493452750
  F         8.4044177941        3.3388171472        1.9042079946
  F        10.4705498944        3.4730350097        1.1650260078
  C        11.8117989295       -0.9876851235        5.5635498269
  C        11.2843921452       -1.8750165295        4.6067340757
  C        10.3062976636       -2.8214588431        4.9329372322
  C         9.8238230698       -2.9411682604        6.2393017453
  C        10.3448033047       -2.0784711577        7.2021654422
  C        11.3104592133       -1.1216932659        6.8697939930
  C         9.9454815146       -2.1897234225        8.6412270420
  F         9.5861499273       -0.9746767107        9.1685047404
  F         8.9063838314       -3.0511558290        8.8708418321
  F        11.0137564918       -2.6150072642        9.3941961326
  C         9.7554006514       -3.7018293915        3.8515538508
  F         8.8178085222       -4.5682262902        4.3253287306
  F        10.7205998468       -4.4542784821        3.2274826749
  F         9.1425896427       -2.9681716665        2.8570138692
  C        13.8594595502        0.6113360355        6.3719632948
  C        14.3499443422        1.9097364403        6.5873205172
  C        15.3225793245        2.1887457980        7.5587619926
  C        15.8509071275        1.1755195897        8.3549380624
  C        15.4105619390       -0.1310259335        8.1209849408
  C        14.4422545550       -0.4074944606        7.1524336233
  C        16.0241439675       -1.2304144371        8.9297102648
  F        16.0424835280       -0.8774119654       10.2667736276
  F        17.3294952505       -1.4917899704        8.5814298585
  F        15.3724093308       -2.4181643730        8.8056715755
  C        15.8742441973        3.5791987608        7.6495335326
  F        16.4722986279        3.8594743717        8.8505759895
  F        14.9153949434        4.5293641648        7.4131462495
  F        16.8254709904        3.7869867116        6.6736061759
  H        13.9884194755        1.9690121022        3.1940274272
  H        13.9106406501       -2.1749068709        4.3427474984
  H        16.0437531688       -0.9755296831        0.8095322563
  H        11.4148584098        0.8849399199        2.8028471558
  H         8.9864347891        4.1985973728        4.0948432016
  H        11.7111588876        2.3256785288        6.8459317866
  H        11.6381003425       -1.8325401288        3.5776509209
  H         9.0819125698       -3.6886051619        6.5014748258
  H        11.6782197425       -0.4616700481        7.6543930768
  H        13.9713548478        2.7328946279        5.9830794739
  H        16.5832678370        1.3953929007        9.1281313549
  H        14.1377470456       -1.4415304213        7.0035209764
  H        10.7899603405       11.7834119812        4.7918502104
  H        11.6464254568       10.0932458063        3.1714589253
     646
 i =       78, E =         0.0016843325
 Rh         3.6308308793        0.2337120022        4.8165579448
  P         5.3848359439        0.6383549517        6.2788390055
  C         5.2361554607       -0.2823213191        7.8754861160
  C         4.8171935105       -1.7495044080        7.6746235895
  C         4.5368242176       -2.4173148772        9.0299191014
  C         5.7206771307       -2.2829273983        9.9987271653
  C         6.1924435342       -0.8284686760       10.1424025960
  C         6.4755949270       -0.1773110580        8.7785386456
  C         5.6737187166        2.4030935465        6.7917909477
  C         4.6590324012        2.8102982754        7.8856103369
  C         4.6014886607        4.3228098530        8.1612892188
  C         4.5305936288        5.1469031318        6.8730512018
  C         5.7141717458        4.7942954230        5.9699591946
  C         5.6153984182        3.3224079745        5.5548476721
  C         6.9961487492        0.0918075629        5.5094050092
  C         6.9615254706        0.2309352696        3.9800689864
  P         5.3022791610       -0.2374695515        3.2811427592
  C         5.4407208280       -2.0261382204        2.7725975028
  C         4.3305751818       -2.4103716138        1.7749078099
  C         4.3755163085       -3.9037491560        1.4377349427
  C         4.2309991477       -4.7556109741        2.7007928159
  C         5.3505387465       -4.4303233653        3.6946660350
  C         5.3941658186       -2.9280355898        4.0283314829
  C         5.1617773831        0.7146942466        1.7004723843
  C         4.8922643842        2.2168280396        1.9180371543
  C         4.4343877155        2.8360142748        0.5873557433
  C         5.4786516846        2.6302324489       -0.5219779718
  C         5.9122123594        1.1597153985       -0.6541194412
  C         6.3208209813        0.5486467982        0.7002382578
  C         1.8726695727        0.3115546091        3.4664624935
  C         1.9003781447       -0.9430091682        4.0812755184
  C         1.0609610422       -0.8294422286        5.3658873422
  C         1.9220783180        0.0980093547        6.2502491734
  C         1.8908602272        1.3536589588        5.6414235180
  C         1.0120235741        1.2113231163        4.3809604260
  C        -0.0246865407        0.1747081855        4.8934752040
  H         4.4009515521        0.2315235194        8.3794154230
  H         5.6114677591       -2.2969613165        7.1456462129
  H         3.9259175150       -1.7954053788        7.0299775981
  H         4.2909717903       -3.4783494978        8.8779906979
  H         3.6424930818       -1.9545236706        9.4721996245
  H         5.4416902532       -2.6864057367       10.9831660772
  H         6.5574267456       -2.8984785557        9.6419707929
  H         7.0996291728       -0.7803064083       10.7633469504
  H         5.4179376528       -0.2413637927       10.6609273944
  H         6.7825114361        0.8679129030        8.9182176753
  H         7.3217279045       -0.6854454703        8.2978759682
  H         6.6922840611        2.4546935590        7.2096795483
  H         4.9053899655        2.2903565001        8.8215527984
  H         3.6570367846        2.4607877620        7.5992785606
  H         5.4928164844        4.6298791032        8.7267837692
  H         3.7376068821        4.5289506851        8.8098562245
  H         4.5094477096        6.2185814994        7.1124516615
  H         3.5944005362        4.9350218444        6.3345644158
  H         6.6537114228        4.9610613998        6.5152679020
  H         5.7539550914        5.4347940470        5.0800699266
  H         6.4153521573        3.0610679245        4.8468773305
  H         4.6641939072        3.1555064194        5.0227569098
  H         7.8327603193        0.6601008893        5.9413299099
  H         7.1427040034       -0.9588098063        5.7974952273
  H         7.7606028766       -0.3511860610        3.4990164640
  H         7.1129288529        1.2806334112        3.6901171424
  H         6.4161084705       -2.1481994036        2.2747828086
  H         4.3999480139       -1.8136085629        0.8557603702
  H         3.3470988380       -2.1833309854        2.2084142551
  H         5.3272980535       -4.1384745659        0.9398655174
  H         3.5782937106       -4.1360359037        0.7208300850
  H         4.2338355566       -5.8233730543        2.4418631660
  H         3.2512192303       -4.5616641393        3.1621681912
  H         5.2158157687       -4.9931889052        4.6305735387
  H         6.3162629603       -4.7466725187        3.2742811046
  H         6.2595468209       -2.7217652486        4.6740131010
  H         4.4999686139       -2.6575111383        4.6132942598
  H         4.2548433673        0.2874615388        1.2413203195
  H         5.8147812675        2.7120751927        2.2569112838
  H         4.1411152043        2.3711323736        2.7071963752
  H         4.2224830435        3.9067730729        0.7164689384
  H         3.4832368578        2.3659912963        0.2943457918
  H         6.3613615822        3.2502522065       -0.3075174696
  H         5.0773077042        2.9901479294       -1.4809229787
  H         6.7463401614        1.0755890777       -1.3665213615
  H         5.0811229447        0.5676311578       -1.0694589539
  H         7.2043816610        1.0726590594        1.0850542092
  H         6.6104599791       -0.5018711803        0.5716636651
  H         2.1189970692        0.5402024202        2.4332378021
  H         2.1762184372       -1.8922736784        3.6329230014
  H         0.7455286767       -1.7738540650        5.8157995364
  H         2.1972741947       -0.1231584622        7.2771573435
  H         2.1456616408        2.3059539440        6.0967567045
  H         0.6477307723        2.1420543766        3.9389003931
  H        -0.6398299098        0.5556321402        5.7160173106
  H        -0.6616455188       -0.2268114272        4.0984316082
 Rh        14.7187898643       19.6366011406       14.9678231434
  P        12.9419163784       19.2008661821       13.5235177639
  C        13.1097413977       20.1873421345       11.9633511998
  C        13.4998437863       21.6552330937       12.2113991607
  C        13.8449965699       22.3458495517       10.8828772795
  C        12.6910183441       22.2448193092        9.8758198695
  C        12.2653222374       20.7852539610        9.6631293163
  C        11.9260914838       20.0822231995       10.9900163994
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  C         1.8518123839       13.0275872845        5.5403747744
  C         2.7784371607       12.0048225761        5.8008521862
  C         1.1073763091       12.3801241464        1.9155599763
  F         1.0161911062       11.1557074306        1.3115395973
  F         1.8930247587       13.1551670337        1.0974097597
  F        -0.1553697320       12.9025325719        1.9031977903
  C         6.8230034348        6.4133248294        2.2182062126
  F         7.6160350455        6.2387028569        1.1138012294
  F         7.4991748390        5.8840948128        3.2980968887
  F         5.7127899676        5.6261392971        2.0530921200
  F         0.7131467658       15.0284398398        6.2352107735
  F         0.8947110933       13.3790607428        7.6962230726
  F         2.6774358427       14.5676800692        7.1188326786
  C         1.5260236548       13.9947704530        6.6391000537
  H         7.7877089307        8.6165804889        0.9493727066
  H         5.0780422784        7.3366539324        4.0313982247
  H         5.4353349466       11.5209844383        3.0902418429
  H         2.7794130326        7.9639673639        3.5906014079
  H         0.5952392556        5.9741057400        6.7223823169
  H         3.3358266664        9.1577098734        7.6785660769
  H         5.6229718792        8.1650357893        6.6833321421
  H         8.0421325918       10.8335270082        9.0331322720
  H         5.4421508877       12.3883357225        5.9688938210
  H         2.8902435513       10.5981973377        2.7274513470
  H         0.5814445074       13.9721445055        4.0637702489
  H         3.1708228813       11.9035076675        6.8126813814
  F         9.9832710449        8.3890101580       18.4860809951
  C        11.2757359511        8.6565732181       18.8874668085
  F        11.9348680692        7.4699259455       18.8447169976
  F        11.2162371025        9.0174056512       20.2250837718
  C        11.8823172748        9.7264588529       18.0248597653
  C        11.4237404807       11.0384666316       18.1929138331
  C        11.8810579550       12.0110526233       17.3052307868
  C        12.7612198820       11.6813093554       16.2651959580
  C        13.2470688970       10.3734831102       16.0814444342
  C        12.7807102961        9.4083242775       16.9987686935
  B        14.1599116748        9.9795021790       14.7722525028
  C        15.1638133728       11.1845979399       14.3035929178
  C        15.7804308813       12.0403672406       15.2320802436
  C        16.7070445737       13.0148275867       14.8407517594
  C        17.0849622125       13.1501063036       13.4999937397
  C        16.5019376542       12.2893875122       12.5620327225
  C        15.5567803866       11.3370490838       12.9608727009
  C        16.8414389043       12.3977710587       11.0984790112
  F        17.8565585771       13.2698121747       10.8526849876
  F        15.7535341705       12.8162654894       10.3451442373
  F        17.2353084283       11.1917758148       10.5619935228
  C        17.2402577862       13.9406382588       15.8982458763
  F        16.2465153928       14.6718092806       16.4972730792
  F        18.1482403234       14.8381450058       15.4060117349
  F        17.8391040604       13.2541109567       16.9354061087
  C        13.0565212047        9.6389239479       13.5933247344
  C        12.4468925585       10.6711864837       12.8498885854
  C        11.4599017982       10.4130303257       11.8891408602
  C        11.0222053477        9.1101811415       11.6505394323
  C        11.6039866240        8.0759766505       12.3851436310
  C        12.6005840323        8.3334620271       13.3313093085
  C        11.0271840924        6.6980914041       12.2310362369
  F        10.4965312304        6.4948831389       10.9931281724
  F        11.9239249548        5.6901560033       12.4657771103
  F        10.0056704975        6.4974758624       13.1320779583
  C        10.8986076302       11.5271562015       11.0493272945
  F         9.7391705729       11.1778807987       10.4116822468
  F        10.6247073845       12.6599047199       11.7434546830
  F        11.7673819856       11.8881992178       10.0452287976
  C        15.1987757370        8.7453152998       15.0548080594
  C        15.8654085679        8.5712667480       16.2890447471
  C        16.8116508195        7.5568575307       16.4661932921
  C        17.1115994316        6.6611246669       15.4366598719
  C        16.4851948833        6.8299367631       14.2096914821
  C        15.5687388393        7.8697741028       14.0166470307
  C        17.4856293505        7.2663503603       17.7724111554
  F        17.6138644450        8.3289441728       18.6226734817
  F        16.7937717559        6.3138464465       18.4812677719
  F        18.7602304299        6.7888851040       17.5414633303
  C        11.3900324254       13.4252465065       17.4286805700
  F        10.7858301308       13.6683723539       18.6254627462
  F        10.4804844403       13.7349697898       16.4312874803
  F        12.4015531924       14.3393573248       17.3058298128
  F        17.6321077940        4.8717048511       13.4884410426
  F        17.3767144445        6.5265332933       12.0298524118
  F        15.6565961666        5.2706985705       12.6117671429
  C        16.7870451368        5.8814171484       13.0907783327
  H        10.7165972369       11.2912127305       18.9781573835
  H        13.0704656263       12.4670456454       15.5777275120
  H        13.1124010656        8.3762102807       16.9014414659
  H        15.5301534255       11.9521612262       16.2883307337
  H        17.7956419577       13.9123985173       13.1958871589
  H        15.1098690790       10.6988447196       12.2000519589
  H        12.7465978901       11.7052111954       13.0239001947
  H        10.2310456720        8.9073210664       10.9359358969
  H        13.0236888456        7.4941277559       13.8783528663
  H        15.6470176405        9.2390703388       17.1214732911
  H        17.8124194615        5.8506910009       15.5952863266
  H        15.1265645443        7.9931069099       13.0279071503
  F         2.7310188185       18.6301257851       20.1022906604
  C         2.7345817004       18.2942353925       18.7725954111
  F         1.4117659484       18.0790733745       18.4750399178
  F         3.3574397426       17.0872334002       18.6334435568
  C         3.3507825898       19.3586978454       17.9203217981
  C         4.1854476492       19.0326635119       16.8479752857
  C         4.6901901962       20.0156184111       15.9756181163
  C         4.2641718164       21.3342737723       16.2179588540
  C         3.4426900491       21.6641185091       17.3031440718
  C         2.9865754667       20.6831952897       18.1798473937
  C         2.9247960209       23.0644267677       17.4359545132
  F         2.3001486106       23.2927571463       18.6242300920
  F         3.9023701857       24.0248368417       17.3053739066
  F         1.9929086948       23.2935436771       16.4320520182
  B         5.6135261145       19.6417528190       14.6705540129
  C         6.6628073453       18.4253306848       14.9667496824
  C         7.2803749170       18.2918100558       16.2224331673
  C         8.2443168697       17.3104003856       16.4691554508
  C         8.6327136481       16.4112368896       15.4752381925
  C         8.0528267274       16.5456875544       14.2150954031
  C         7.1021933327       17.5440757941       13.9619450931
  C         8.4237265843       15.5975790143       13.1145534986
  F         7.3131970196       15.0309562315       12.5392645157
  F         9.2156111613       14.5694051480       13.5621157429
  F         9.1080551549       16.2276238063       12.1004551954
  C         8.7832847630       17.1553488043       17.8522890170
  F         8.9103535815       18.3671544966       18.4840585651
  F        10.0140395939       16.5641417865       17.8930049186
  F         7.9543181867       16.3794666924       18.6299963071
  C         6.6258943912       20.8602920127       14.2678751188
  C         7.2014294560       21.7113508834       15.2295977247
  C         8.1655995170       22.6669382338       14.8900615918
  C         8.6053578582       22.8095065525       13.5706251457
  C         8.0438660403       21.9726074268       12.6058770476
  C         7.0825960380       21.0176184590       12.9496015407
  C         8.4053938465       22.1114923456       11.1586987540
  F         8.8236805282       20.9045325409       10.6309414030
  F         9.3808162814       23.0319696479       10.9266915745
  F         7.3255772779       22.5144262689       10.4091316898
  C         8.6826456244       23.5857320774       15.9566443920
  F         9.6020556078       24.4692081610       15.4765685112
  F         7.6878372302       24.3577604429       16.5045083984
  F         9.2709732510       22.8897028670       17.0033436046
  C         4.5475078567       19.2807216685       13.4777272860
  C         4.0564906018       17.9775547298       13.2696777008
  C         3.0895413574       17.6935870995       12.2936938574
  C         2.5718329209       18.7077728605       11.4874556282
  C         3.0262275473       20.0150496848       11.6965826173
  C         3.9871058675       20.2925413267       12.6725388520
  C         2.4015039613       21.1127509199       10.8836837961
  F         2.3724756607       20.7827347768        9.5406039779
  F         1.0926047921       21.3331523804       11.2596593890
  F         3.0373175052       22.3175758867       10.9976206397
  C         2.5105526337       16.3085029808       12.1872654880
  F         1.9324044486       16.0518309177       10.9841395639
  F         3.4286572506       15.3133920380       12.3965542173
  F         1.5228678796       16.1214170098       13.1302267503
  H         4.4371206391       17.9880448545       16.6834974127
  H         4.5739466141       22.1287019759       15.5387401842
  H         2.3461285622       20.9398787096       19.0195736537
  H         7.0069044896       18.9696400329       17.0297893008
  H         9.3529196154       15.6260869625       15.6837354682
  H         6.6927559264       17.6284158019       12.9565728917
  H         6.8901442995       21.6365535295       16.2709799692
  H         9.3450163534       23.5566455017       13.3025290011
  H         6.6780902203       20.3821169901       12.1638533072
  H         4.4327090496       17.1589099881       13.8825135152
  H         1.8306085524       18.4854270243       10.7243909225
  H         4.3106363941       21.3231533980       12.8055082688
  F        15.6179047844        1.2758018802       -0.2921148721
  C        15.6607580534        1.6669375464        1.0288776081
  F        16.9911548499        1.8960768068        1.3186816161
  F        15.0494028858        2.8836669132        1.1008094317
  C        15.0702822363        0.6108111010        1.9269261342
  C        14.2462065600        0.9260768028        3.0146702843
  C        13.7515854682       -0.0702987661        3.8856184658
  C        14.1978353566       -1.3810901527        3.6534678263
  C        15.0046453792       -1.7048088799        2.5587604440
  C        15.4325140553       -0.7181388415        1.6698499426
  C        15.4678883919       -3.1195083619        2.3839638173
  F        16.0483593939       -3.3178676363        1.1720289753
  F        14.4478217507       -4.0426370482        2.4969570689
  F        16.4090464656       -3.4515401188        3.3555761126
  B        12.7990885973        0.2627760343        5.1749809795
  C        11.7327043297        1.4663786497        4.8610811703
  C        11.1209774921        1.5728003165        3.5950493853
  C        10.1453474941        2.5378312668        3.3244669380
  C         9.7287473506        3.4379018363        4.3105780563
  C        10.3102683173        3.3401910532        5.5721029719
  C        11.2856890647        2.3684090956        5.8429617023
  C         9.9380704465        4.3057664085        6.6586135927
  F        11.0554335691        4.8854158346        7.1936128836
  F         9.1283565342        5.3306057613        6.2348533319
  F         9.3021173052        3.6790640416        7.7012673725
  C         9.6263603014        2.7151400523        1.9306156457
  F         9.4968681344        1.5308238832        1.2484450699
  F         8.4043125851        3.3401033500        1.9051348435
  F        10.4677143934        3.4713912386        1.1687219099
  C        11.8110568109       -0.9864586207        5.5634014122
  C        11.2829942168       -1.8736455100        4.6063193748
  C        10.3054797832       -2.8209110264        4.9327041172
  C         9.8236360140       -2.9406435115        6.2392296259
  C        10.3446508819       -2.0779761123        7.2020572427
  C        11.3102455845       -1.1210061836        6.8696026592
  C         9.9450982659       -2.1899852247        8.6409954728
  F         9.5857523355       -0.9745839490        9.1686466877
  F         8.9067677083       -3.0505500471        8.8709635350
  F        11.0138831401       -2.6150631828        9.3943056850
  C         9.7552761181       -3.7017485024        3.8514250095
  F         8.8178405599       -4.5680188693        4.3254920028
  F        10.7204144068       -4.4542494133        3.2273369569
  F         9.1424037870       -2.9680010361        2.8571604020
  C        13.8591645426        0.6111192486        6.3715793221
  C        14.3499462286        1.9106485538        6.5869929759
  C        15.3224494757        2.1886746139        7.5577752410
  C        15.8519150600        1.1760168925        8.3537294105
  C        15.4100767203       -0.1321380553        8.1199922184
  C        14.4420269825       -0.4065867017        7.1524588305
  C        16.0240561490       -1.2303385430        8.9294022132
  F        16.0423282444       -0.8775234431       10.2665522060
  F        17.3293527794       -1.4919986726        8.5816408229
  F        15.3726231302       -2.4177599721        8.8057804277
  C        15.8743512430        3.5791160702        7.6491035798
  F        16.4722910586        3.8594521568        8.8502561780
  F        14.9153151847        4.5293293454        7.4131283083
  F        16.8254339762        3.7867697138        6.6736570293
  H        13.9868045101        1.9686965739        3.1927031276
  H        13.9090031335       -2.1751297921        4.3412363225
  H        16.0462786189       -0.9749363943        0.8107015126
  H        11.4150135178        0.8862333698        2.8017186045
  H         8.9864332973        4.1998134751        4.0945361991
  H        11.7111291119        2.3259636634        6.8450508664
  H        11.6359007155       -1.8301662437        3.5766413874
  H         9.0817449890       -3.6881128644        6.5013984812
  H        11.6782596177       -0.4614163449        7.6540710253
  H        13.9710321465        2.7330973717        5.9831383621
  H        16.5851863663        1.3950358779        9.1257374856
  H        14.1362823514       -1.4413869774        7.0037196921
  H        10.7914529067       11.7822240589        4.7911037647
  H        11.6445417557       10.0920338180        3.1691420809
     646
 i =       79, E =         0.0088566462
 Rh         3.6313390423        0.2339359475        4.8166121663
  P         5.3848832149        0.6383525053        6.2790975573
  C         5.2354846104       -0.2832443214        7.8752353099
  C         4.8178374605       -1.7509455292        7.6742402190
  C         4.5367779999       -2.4181682237        9.0299375701
  C         5.7209217699       -2.2843092262        9.9985936455
  C         6.1922572432       -0.8296780182       10.1422960261
  C         6.4748565924       -0.1780831832        8.7784123253
  C         5.6736671907        2.4032423459        6.7923631697
  C         4.6582125418        2.8106927324        7.8853456297
  C         4.6021484265        4.3231787824        8.1616135834
  C         4.5309299935        5.1477173663        6.8736159734
  C         5.7134675287        4.7948526475        5.9691681883
  C         5.6160772870        3.3224353724        5.5551482650
  C         6.9962969882        0.0916974454        5.5100225304
  C         6.9620581978        0.2307248099        3.9805686371
  P         5.3025812208       -0.2374432949        3.2817184947
  C         5.4414303508       -2.0261097032        2.7735558668
  C         4.3321392226       -2.4097113440        1.7745254130
  C         4.3755257895       -3.9036168539        1.4385231933
  C         4.2316075524       -4.7552986497        2.7016857734
  C         5.3515469367       -4.4301887358        3.6951437059
  C         5.3946941168       -2.9280386310        4.0291477238
  C         5.1602538930        0.7142623689        1.7009397427
  C         4.8904936752        2.2163752875        1.9182991671
  C         4.4342625440        2.8363109330        0.5872993890
  C         5.4793634840        2.6305495756       -0.5213778125
  C         5.9117370217        1.1597323205       -0.6538315696
  C         6.3188298644        0.5474475254        0.7004043752
  C         1.8729985199        0.3118211379        3.4666829877
  C         1.9007135623       -0.9427619907        4.0819306246
  C         1.0616464239       -0.8285142339        5.3668308243
  C         1.9231523738        0.0991887118        6.2504980505
  C         1.8921103937        1.3541577850        5.6415456114
  C         1.0129344919        1.2120406128        4.3813688037
  C        -0.0241575704        0.1754868458        4.8938305057
  H         4.3997375605        0.2298952849        8.3789249826
  H         5.6134157675       -2.2978851816        7.1467771654
  H         3.9274437105       -1.7983596233        7.0287966349
  H         4.2896927507       -3.4788171617        8.8785350123
  H         3.6433076265       -1.9539587203        9.4721781816
  H         5.4419573820       -2.6877873071       10.9829649778
  H         6.5575785008       -2.8999427829        9.6417484509
  H         7.0994580090       -0.7809881528       10.7629520514
  H         5.4173985534       -0.2432111291       10.6608896977
  H         6.7815149258        0.8670593071        8.9182459255
  H         7.3207648271       -0.6860454760        8.2973369459
  H         6.6918620495        2.4548397503        7.2110196870
  H         4.9029029080        2.2899858769        8.8212239808
  H         3.6561588818        2.4625775151        7.5976716712
  H         5.4940856640        4.6292799707        8.7266154729
  H         3.7388635524        4.5298737376        8.8106755395
  H         4.5111449940        6.2192938184        7.1135115514
  H         3.5939922629        4.9370656435        6.3360364997
  H         6.6536798204        4.9635147888        6.5126524826
  H         5.7508383631        5.4342598675        5.0784354260
  H         6.4171469926        3.0616103128        4.8483418969
  H         4.6657033136        3.1545618441        5.0219315352
  H         7.8329209403        0.6596180741        5.9421967099
  H         7.1423541884       -0.9589839649        5.7981476325
  H         7.7608674673       -0.3522982139        3.5000222601
  H         7.1144753504        1.2801315070        3.6904398538
  H         6.4172618283       -2.1481409792        2.2764547551
  H         4.4050024442       -1.8143915405        0.8548114432
  H         3.3483248698       -2.1801059355        2.2054743613
  H         5.3267774885       -4.1390913140        0.9400515190
  H         3.5776512460       -4.1355028295        0.7222807675
  H         4.2345337736       -5.8230125948        2.4424339811
  H         3.2519464958       -4.5617285909        3.1637206433
  H         5.2174145195       -4.9934709076        4.6309081972
  H         6.3171239862       -4.7460123221        3.2742534717
  H         6.2601239844       -2.7216721486        4.6748548157
  H         4.5005024604       -2.6578586193        4.6143993311
  H         4.2529153178        0.2865947386        1.2428846489
  H         5.8124426826        2.7115494948        2.2588213604
  H         4.1380851960        2.3703301346        2.7063125667
  H         4.2228892010        3.9070411131        0.7167856414
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 Rh        14.7188091417       19.6364800705       14.9684155393
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  H        14.3186854476       17.6266035506       17.0002968698
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  H        11.7836612728       18.6835128851       21.1720721693
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  H        19.0054430221       19.1002950772       14.2275083218
  H        18.9898358139       20.0413358895       15.7602296050
 Rh         5.9818382702       10.0687966716       14.9875158315
  P         4.1701401086        9.5814490399       13.6252135145
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  C         2.5938534215       10.2143914588       14.3857739073
  C         2.6645949177       10.1229862062       15.9134611916
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  C         4.0692674201       14.7774872830       16.1272686530
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 Rh        12.6623448964        9.7859354638        4.6996691452
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  C        14.7607973958       14.3158399745        5.9834013014
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  C        13.1928991196       12.3117222559        7.4594254738
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  C        15.9526198197        9.8985696006        3.9107772050
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  C        14.4386537542        5.2050700925        3.5605677246
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  C        13.5726727789       12.5507868518        0.5445227914
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  C        13.3906978843        7.1736229340        9.0436601841
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  C        10.0413922089       11.0290474641        4.5141097518
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  H         9.1625878975       11.5709792402        4.1374820894
  H        11.5959608755        7.3467083398        5.3221177240
  F         8.5049331849       11.5991055215        1.4654859571
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  F         7.3493832677       10.8241837221       -0.2334551773
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  C         7.0394104473        8.8530403453        1.7008326477
  C         6.4509426955        7.8482697336        2.4614031874
  C         5.5173262074        8.1565180226        3.4646866884
  C         5.1382319973        9.4806741011        3.7548803332
  C         5.7138245938       10.4790405264        2.9382063738
  B         4.2354748173        9.8915305757        5.0695560383
  C         3.2240928933        8.7023306105        5.5694409465
  C         2.5687968952        7.8634421730        4.6552304923
  C         1.6521059564        6.8819588524        5.0599838664
  C         1.2971274060        6.7391852525        6.4036526796
  C         1.9009000551        7.6035097836        7.3266600725
  C         2.8562271333        8.5424083655        6.9185267855
  C         1.5870438379        7.5192930937        8.7947784433
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  F         2.6852325544        7.1596413429        9.5346255147
  F         1.1779231940        8.7259984438        9.3118902255
  C         1.1534717878        5.9770343414        3.9701098609
  F         2.1796075047        5.2404320824        3.4418212132
  F         0.1931324675        5.0736072043        4.3300299052
  F         0.6514257568        6.7254760120        2.9278354749
  C         5.3487313513       10.2417900414        6.2070632301
  C         5.9230427524        9.1836837350        6.9194452857
  C         6.8623550259        9.3816696154        7.9328319469
  C         7.3116803290       10.6680696487        8.2475584965
  C         6.8108296487       11.7413359150        7.4927262840
  C         5.8388143538       11.5261608163        6.5029564099
  C         7.3316336497       13.1428381974        7.6993026340
  F         7.8466421875       13.3434560333        8.9475111626
  F         6.3538168991       14.0810984830        7.4856620315
  F         8.3398820689       13.4791046866        6.8173153218
  C         7.2743684857        8.1340392196        8.6583671543
  F         8.4337529226        8.2298925712        9.3832360077
  F         7.4259915479        7.0983077462        7.7769698543
  F         6.2864602846        7.7329866199        9.5343477046
  C         3.2153482809       11.1241004686        4.7931856974
  C         2.6170704740       11.2766813004        3.5338713787
  C         1.6676380535       12.2668005568        3.2880964372
  C         1.2858021333       13.1751385520        4.2758453435
  C         1.8523842599       13.0274334373        5.5405697484
  C         2.7790330748       12.0059570575        5.7998837788
  C         1.1073563863       12.3799988963        1.9156542208
  F         1.0161195622       11.1558317108        1.3114671708
  F         1.8930431889       13.1552620967        1.0971335456
  F        -0.1556889678       12.9026155348        1.9028487460
  C         6.8228936524        6.4133038340        2.2182146599
  F         7.6159857208        6.2386782877        1.1138273661
  F         7.4991494842        5.8841293230        3.2980247386
  F         5.7128140717        5.6260128784        2.0530287424
  F         0.7132192460       15.0283457001        6.2350547056
  F         0.8944675131       13.3788419599        7.6962252415
  F         2.6778570068       14.5680051777        7.1188359084
  C         1.5258251214       13.9950282923        6.6390474585
  H         7.7837452147        8.6160831983        0.9460439943
  H         5.0800657398        7.3368130542        4.0335489436
  H         5.4367100922       11.5211621073        3.0920674630
  H         2.7814109001        7.9626349757        3.5909446358
  H         0.5946991785        5.9743778819        6.7219253373
  H         3.3334059772        9.1594514648        7.6786991261
  H         5.6213534254        8.1658150113        6.6848701111
  H         8.0420907121       10.8336081005        9.0332625095
  H         5.4441211737       12.3885981979        5.9669144020
  H         2.8910671733       10.5990134554        2.7270492815
  H         0.5804940310       13.9708094802        4.0643404356
  H         3.1728838762       11.9050577015        6.8123543295
  F         9.9833523647        8.3890304990       18.4861745128
  C        11.2758516380        8.6565057655       18.8873215456
  F        11.9348233080        7.4697410311       18.8445926234
  F        11.2160730233        9.0174593747       20.2249749039
  C        11.8823295004        9.7269117950       18.0245898734
  C        11.4245254947       11.0379077338       18.1933805373
  C        11.8817044919       12.0114209221       17.3051428907
  C        12.7619207427       11.6808923694       16.2656392153
  C        13.2472007379       10.3740397082       16.0810748475
  C        12.7802004415        9.4074850432       16.9980190010
  B        14.1599840059        9.9794876985       14.7719603926
  C        15.1638222206       11.1849195919       14.3033090737
  C        15.7795765702       12.0412736582       15.2312742585
  C        16.7067807525       13.0152795365       14.8404993533
  C        17.0851467144       13.1503289935       13.4995657243
  C        16.5022409044       12.2894877787       12.5622279687
  C        15.5573892819       11.3366132021       12.9604773095
  C        16.8416063053       12.3976827948       11.0983652556
  F        17.8567374136       13.2698924819       10.8524552464
  F        15.7535024235       12.8162730057       10.3450466760
  F        17.2353006525       11.1918468708       10.5619850794
  C        17.2402482397       13.9407769260       15.8981381453
  F        16.2464362042       14.6718890260       16.4973477500
  F        18.1482856781       14.8381337501       15.4059842220
  F        17.8390911155       13.2541087667       16.9352843047
  C        13.0562242407        9.6390722793       13.5935666926
  C        12.4469412103       10.6715050626       12.8496616266
  C        11.4599142047       10.4131928565       11.8883052179
  C        11.0235717483        9.1104277201       11.6496652371
  C        11.6039817447        8.0758803443       12.3851916103
  C        12.5996282151        8.3337994683       13.3325595127
  C        11.0273114558        6.6981265369       12.2310893492
  F        10.4964975322        6.4948072334       10.9931605686
  F        11.9238667677        5.6901636944       12.4656817586
  F        10.0055898723        6.4974177868       13.1320641377
  C        10.8991201393       11.5264485478       11.0487464679
  F         9.7393306730       11.1781640795       10.4116501622
  F        10.6252248557       12.6600782733       11.7430185126
  F        11.7663226801       11.8889829043       10.0467480251
  C        15.1983474903        8.7455968514       15.0547560372
  C        15.8648794827        8.5710227777       16.2888519009
  C        16.8114302973        7.5568211853       16.4659173493
  C        17.1117954573        6.6612259801       15.4365490385
  C        16.4856944018        6.8295112608       14.2094119341
  C        15.5686405863        7.8695481068       14.0165099536
  C        17.4855221469        7.2662195055       17.7722746130
  F        17.6138605086        8.3291899247       18.6227811866
  F        16.7935839388        6.3137402014       18.4812686761
  F        18.7603886823        6.7888348581       17.5413903757
  C        11.3902070441       13.4251678567       17.4287764359
  F        10.7858615748       13.6684676041       18.6254353553
  F        10.4805650185       13.7349791446       16.4313011264
  F        12.4015863170       14.3394512827       17.3057599340
  F        17.6328360441        4.8731256729       13.4887347590
  F        17.3774585410        6.5264824209       12.0303226728
  F        15.6554995167        5.2713043889       12.6109800194
  C        16.7871168710        5.8807715777       13.0906844729
  H        10.7182035480       11.2913455874       18.9788320168
  H        13.0718970272       12.4674933682       15.5781915068
  H        13.1107532056        8.3758235415       16.8994472912
  H        15.5281318392       11.9541593799       16.2877542398
  H        17.7958639735       13.9125753197       13.1956964895
  H        15.1116123936       10.6980406221       12.1998692021
  H        12.7465535652       11.7053953250       13.0234306219
  H        10.2332804575        8.9067825499       10.9332077685
  H        13.0211831824        7.4950963979       13.8811141236
  H        15.6459314191        9.2382290334       17.1210505684
  H        17.8127190483        5.8510741234       15.5947643773
  H        15.1261337945        7.9926192850       13.0270886086
  F         2.7298605115       18.6287228911       20.1018773263
  C         2.7343742914       18.2955556717       18.7710930793
  F         1.4132434817       18.0766067953       18.4774831821
  F         3.3546573226       17.0869266159       18.6338187058
  C         3.3508813442       19.3593142376       17.9188347441
  C         4.1856883067       19.0317112314       16.8469975674
  C         4.6898105853       20.0151881917       15.9760898233
  C         4.2647434594       21.3341334900       16.2179905335
  C         3.4420121654       21.6637172950       17.3034802567
  C         2.9858828467       20.6817064661       18.1783575694
  C         2.9248278759       23.0644757446       17.4354975210
  F         2.3002676342       23.2928575425       18.6239559969
  F         3.9021661849       24.0249630034       17.3053974660
  F         1.9930175316       23.2937932578       16.4323431770
  B         5.6136618292       19.6418396651       14.6701457721
  C         6.6621602066       18.4245938616       14.9663760036
  C         7.2799200821       18.2911000764       16.2227365768
  C         8.2440298942       17.3102201040       16.4688263919
  C         8.6333481805       16.4112326554       15.4754663126
  C         8.0522736206       16.5456550946       14.2148325768
  C         7.1014847531       17.5431586174       13.9624899448
  C         8.4237102507       15.5974777694       13.1145293417
  F         7.3132292060       15.0309821300       12.5391369357
  F         9.2157318266       14.5692302935       13.5621260746
  F         9.1079786869       16.2276215423       12.1004491011
  C         8.7833262261       17.1554046026       17.8523106836
  F         8.9104851195       18.3672425697       18.4840865162
  F        10.0140227133       16.5640258558       17.8929712550
  F         7.9542125625       16.3793344892       18.6299920270
  C         6.6262864715       20.8600686073       14.2676550491
  C         7.2017704228       21.7109944865       15.2293958176
  C         8.1654832499       22.6670848711       14.8898865204
  C         8.6047231915       22.8101098047       13.5703261983
  C         8.0436328585       21.9728506106       12.6057715618
  C         7.0826570900       21.0175404620       12.9493190507
  C         8.4053789321       22.1115957688       11.1586192355
  F         8.8237088695       20.9046754048       10.6309432652
  F         9.3807888201       23.0319500051       10.9265495546
  F         7.3256572761       22.5144930887       10.4089653767
  C         8.6826004816       23.5857798126       15.9566007853
  F         9.6020735467       24.4692201342       15.4765823093
  F         7.6878573746       24.3578228595       16.5044381245
  F         9.2710452382       22.8897215100       17.0032432058
  C         4.5473115831       19.2810402129       13.4779435508
  C         4.0561425782       17.9778902568       13.2696047540
  C         3.0890066294       17.6937852074       12.2938409601
  C         2.5709552308       18.7081405950       11.4880093347
  C         3.0256040120       20.0152470536       11.6970133370
  C         3.9865580812       20.2929173329       12.6728956128
  C         2.4014253652       21.1129818677       10.8838795990
  F         2.3723811195       20.7829383860        9.5407346960
  F         1.0924411301       21.3333562041       11.2593385730
  F         3.0370137316       22.3174312057       10.9973481083
  C         2.5104446380       16.3086381242       12.1873418638
  F         1.9324983445       16.0518718721       10.9842577640
  F         3.4286397307       15.3134325247       12.3964624774
  F         1.5228328291       16.1213899162       13.1301442525
  H         4.4377233623       17.9892568025       16.6824299953
  H         4.5755534182       22.1300354837       15.5388144798
  H         2.3445295802       20.9390381087       19.0178144489
  H         7.0056280819       18.9686033723       17.0299364605
  H         9.3537186528       15.6269544727       15.6832635207
  H         6.6910671009       17.6266470442       12.9567683639
  H         6.8908207418       21.6359396629       16.2708544828
  H         9.3437519941       23.5580181543       13.3020146459
  H         6.6782318485       20.3821993626       12.1636301276
  H         4.4325870747       17.1591350604       13.8825487207
  H         1.8292198938       18.4860677003       10.7256181769
  H         4.3097341015       21.3235990803       12.8061802618
  F        15.6172332494        1.2760464876       -0.2922675538
  C        15.6609783052        1.6670576661        1.0291253063
  F        16.9914184409        1.8960691750        1.3183139100
  F        15.0492341604        2.8835943921        1.1002837255
  C        15.0702401160        0.6108604006        1.9269302872
  C        14.2453688349        0.9259580466        3.0138609479
  C        13.7509405402       -0.0702738211        3.8846876567
  C        14.1968734878       -1.3812177439        3.6526340770
  C        15.0046993333       -1.7044890109        2.5586467534
  C        15.4337666392       -0.7179269800        1.6703941917
  C        15.4678770189       -3.1195298524        2.3838954091
  F        16.0483904542       -3.3179087038        1.1720214005
  F        14.4478772471       -4.0425591139        2.4969704544
  F        16.4090832186       -3.4515957664        3.3555496141
  B        12.7986212685        0.2632052720        5.1743461957
  C        11.7328024661        1.4673954160        4.8604503255
  C        11.1212334330        1.5738391335        3.5944206301
  C        10.1452091653        2.5389477446        3.3240456027
  C         9.7290313849        3.4386574813        4.3105044122
  C        10.3103390035        3.3408275017        5.5716795783
  C        11.2860275295        2.3688803671        5.8425616152
  C         9.9382665838        4.3061790616        6.6586508660
  F        11.0556730054        4.8853942301        7.1935426278
  F         9.1284093486        5.3306624333        6.2349105343
  F         9.3021928485        3.6789659700        7.7011331732
  C         9.6261249662        2.7150930264        1.9303788242
  F         9.4967871690        1.5307109232        1.2484491470
  F         8.4046299238        3.3408653378        1.9052525946
  F        10.4677585629        3.4718656508        1.1687543359
  C        11.8100281446       -0.9853247748        5.5629621824
  C        11.2814658220       -1.8720316458        4.6057999542
  C        10.3048142699       -2.8201010799        4.9323839622
  C         9.8233818929       -2.9401025838        6.2391558187
  C        10.3445032547       -2.0774234022        7.2018978042
  C        11.3099010227       -1.1203432689        6.8694097703
  C         9.9451994729       -2.1897671377        8.6408936578
  F         9.5856335768       -0.9746384206        9.1686223779
  F         8.9067474964       -3.0505344454        8.8710420300
  F        11.0138130312       -2.6150353910        9.3942305860
  C         9.7551184934       -3.7016093664        3.8513080068
  F         8.8178476319       -4.5679192508        4.3255825991
  F        10.7203011404       -4.4541969535        3.2272637991
  F         9.1422943198       -2.9679047551        2.8571476472
  C        13.8589964950        0.6120574885        6.3710529503
  C        14.3494474963        1.9104674283        6.5863600337
  C        15.3228160921        2.1888631610        7.5571300827
  C        15.8523787355        1.1751740686        8.3518748829
  C        15.4106339366       -0.1314482415        8.1196582381
  C        14.4410772967       -0.4070026739        7.1519891765
  C        16.0239343554       -1.2303976067        8.9290333410
  F        16.0422327645       -0.8774308728       10.2663839769
  F        17.3294051460       -1.4920254083        8.5816530974
  F        15.3725983903       -2.4177918899        8.8057815233
  C        15.8743048859        3.5790745439        7.6486317934
  F        16.4722734987        3.8594050768        8.8498701974
  F        14.9153118581        4.5293025387        7.4130898815
  F        16.8255348545        3.7867567164        6.6735305701
  H        13.9849377983        1.9685525830        3.1912085678
  H        13.9070899177       -2.1754335086        4.3395756421
  H        16.0490200944       -0.9742124376        0.8122523821
  H        11.4151960661        0.8877733858        2.8005435241
  H         8.9865615097        4.2010806518        4.0942588667
  H        11.7111597265        2.3263004164        6.8441996728
  H        11.6333271143       -1.8274683774        3.5756632759
  H         9.0815997908       -3.6875801622        6.5013111800
  H        11.6783452011       -0.4610320742        7.6538128614
  H        13.9705600561        2.7336320936        5.9830098769
  H        16.5875150465        1.3947383057        9.1231516847
  H        14.1347932274       -1.4406574588        7.0040098322
  H        10.7930218619       11.7807343572        4.7901458508
  H        11.6421187060       10.0906398932        3.1667180189
     646
 i =       80, E =         0.0030518216
 Rh         3.6318492796        0.2341254387        4.8166569400
  P         5.3849371681        0.6383444045        6.2792406220
  C         5.2349989065       -0.2842439185        7.8750971552
  C         4.8184753829       -1.7521636518        7.6735608906
  C         4.5365337690       -2.4191326431        9.0300764334
  C         5.7211815282       -2.2856487231        9.9985707600
  C         6.1921287226       -0.8308192266       10.1423524363
  C         6.4743383215       -0.1786981306        8.7781011994
  C         5.6736012858        2.4034000786        6.7928899826
  C         4.6573774658        2.8109481478        7.8851259199
  C         4.6027421433        4.3235103011        8.1619063687
  C         4.5311299844        5.1485261476        6.8740602012
  C         5.7127800112        4.7953617074        5.9684017960
  C         5.6166627984        3.3223941053        5.5553542233
  C         6.9965163635        0.0916024779        5.5106982875
  C         6.9625611494        0.2305783343        3.9809089774
  P         5.3028874426       -0.2375076339        3.2822131699
  C         5.4418756388       -2.0261071374        2.7747802353
  C         4.3329686239       -2.4087337642        1.7740425857
  C         4.3753762481       -3.9036323311        1.4394400484
  C         4.2320722026       -4.7550559748        2.7024392170
  C         5.3524883210       -4.4299916729        3.6954704789
  C         5.3951487480       -2.9279009166        4.0298429437
  C         5.1587210553        0.7139039432        1.7012313665
  C         4.8888191818        2.2158079105        1.9185763181
  C         4.4338992055        2.8366464605        0.5872342601
  C         5.4800507402        2.6308640947       -0.5209014341
  C         5.9113406863        1.1596893939       -0.6535920013
  C         6.3169659398        0.5463633078        0.7005536850
  C         1.8733203018        0.3119640130        3.4669858151
  C         1.9010181625       -0.9424141610        4.0825000528
  C         1.0624473037       -0.8276908831        5.3676981550
  C         1.9241021126        0.0998126830        6.2509239700
  C         1.8931980131        1.3550678167        5.6413981139
  C         1.0138866665        1.2127006544        4.3817168949
  C        -0.0240817072        0.1762142269        4.8941244610
  H         4.3986287601        0.2284175146        8.3785015416
  H         5.6151544667       -2.2987179550        7.1478353533
  H         3.9289393187       -1.8010430581        7.0277527474
  H         4.2886004290       -3.4791571763        8.8789977464
  H         3.6441081395       -1.9535372559        9.4720604644
  H         5.4422387866       -2.6890443717       10.9826384024
  H         6.5577013366       -2.9012463114        9.6414811467
  H         7.0992754180       -0.7816780712       10.7625560603
  H         5.4169455369       -0.2449034321       10.6608660421
  H         6.7805988204        0.8662248397        8.9183056678
  H         7.3198639607       -0.6865238882        8.2969381797
  H         6.6914880530        2.4549674232        7.2122562677
  H         4.9005993304        2.2896487151        8.8208861455
  H         3.6554133175        2.4642599619        7.5961966738
  H         5.4953269839        4.6287122723        8.7264582171
  H         3.7400719503        4.5307158109        8.8114436685
  H         4.5127026094        6.2198720252        7.1144602690
  H         3.5937161731        4.9389134242        6.3374455185
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  H         9.9906941714        7.8092285105        3.3153465720
  H         9.1637916040       11.5730725426        4.1366027974
  H        11.5975550299        7.3490705378        5.3242793982
  F         8.5048166700       11.5990769078        1.4659992713
  C         7.2306566681       11.2415941974        1.0680864340
  F         6.4852966119       12.3765985207        1.0310247542
  F         7.3491681129       10.8239397370       -0.2339026368
  C         6.6357410289       10.1722739957        1.9329369433
  C         7.0377122048        8.8529185962        1.6995150299
  C         6.4504910028        7.8480906854        2.4614589478
  C         5.5180589348        8.1566523089        3.4656257994
  C         5.1387375486        9.4806498851        3.7554578215
  C         5.7143484659       10.4791615933        2.9389209959
  B         4.2361039811        9.8910878625        5.0695248799
  C         3.2233520605        8.7022941014        5.5698231910
  C         2.5695194971        7.8630755678        4.6552345111
  C         1.6525658290        6.8822635996        5.0600930450
  C         1.2968643141        6.7393961549        6.4034898811
  C         1.9005336003        7.6038874626        7.3263050689
  C         2.8551088772        8.5432337739        6.9186290349
  C         1.5864519440        7.5193776095        8.7944609440
  F         0.6147379814        6.6183731049        9.0899828086
  F         2.6855098754        7.1593707474        9.5350890546
  F         1.1779643056        8.7254353035        9.3119033658
  C         1.1532308804        5.9769868722        3.9702132502
  F         2.1799272295        5.2401294518        3.4416499575
  F         0.1931853030        5.0735586425        4.3300788498
  F         0.6513675176        6.7256786113        2.9276763257
  C         5.3491868117       10.2423503234        6.2078582554
  C         5.9223099979        9.1846109445        6.9201780123
  C         6.8622131731        9.3825073442        7.9330287490
  C         7.3117579303       10.6690096636        8.2476202881
  C         6.8109720341       11.7398775513        7.4924762615
  C         5.8393596377       11.5267595196        6.5020849929
  C         7.3316903237       13.1419882541        7.6994616145
  F         7.8473770486       13.3445746478        8.9471683763
  F         6.3553166464       14.0821186552        7.4846251565
  F         8.3384400605       13.4802043133        6.8177993793
  C         7.2736042491        8.1336161387        8.6581459743
  F         8.4345041726        8.2302355200        9.3838924466
  F         7.4260253639        7.0981661308        7.7768455637
  F         6.2865939001        7.7327912900        9.5344484347
  C         3.2143660586       11.1264753791        4.7928324390
  C         2.6181171247       11.2765474036        3.5338302016
  C         1.6678421691       12.2669616039        3.2891201693
  C         1.2859590516       13.1743386682        4.2767517085
  C         1.8530080293       13.0265336581        5.5394080757
  C         2.7805256314       12.0063249638        5.8003239149
  C         1.1074860102       12.3795909838        1.9150038911
  F         1.0162544688       11.1549251032        1.3116607106
  F         1.8941562287       13.1562748089        1.0967706227
  F        -0.1574348005       12.9035849880        1.9039010751
  C         6.8228908892        6.4131899191        2.2180402110
  F         7.6159886116        6.2388341181        1.1138007366
  F         7.4991338212        5.8842509813        3.2982016257
  F         5.7125703501        5.6260458437        2.0532026464
  F         0.7128707922       15.0287375823        6.2356645881
  F         0.8944861572       13.3787664929        7.6973061452
  F         2.6783832033       14.5680428031        7.1197943417
  C         1.5254910933       13.9952431134        6.6380334366
  H         7.7802165465        8.6156046706        0.9429318622
  H         5.0819330512        7.3369424362        4.0354994917
  H         5.4380222137       11.5211912372        3.0936598571
  H         2.7831350618        7.9613721208        3.5914515319
  H         0.5940376446        5.9743983232        6.7216067854
  H         3.3311006560        9.1609338060        7.6786683788
  H         5.6195391873        8.1653205450        6.6860812054
  H         8.0418171649       10.8334509662        9.0331663651
  H         5.4461789285       12.3879428580        5.9655773902
  H         2.8916734913       10.5998448431        2.7266278666
  H         0.5786811625       13.9705105896        4.0644692531
  H         3.1741699942       11.9066548426        6.8107079405
  F         9.9830145143        8.3890312685       18.4855512866
  C        11.2756000541        8.6566514961       18.8882520413
  F        11.9351627517        7.4697797448       18.8446311000
  F        11.2166612054        9.0172090199       20.2241548901
  C        11.8826277208        9.7265206294       18.0242453997
  C        11.4252992643       11.0381891825       18.1934436988
  C        11.8822795063       12.0111949664       17.3052155740
  C        12.7625946598       11.6813091667       16.2656320515
  C        13.2471844750       10.3738321341       16.0811319497
  C        12.7798718515        9.4075838614       16.9968561115
  B        14.1587976067        9.9800806386       14.7713136472
  C        15.1637764620       11.1851118322       14.3030275428
  C        15.7787678694       12.0421623756       15.2309468198
  C        16.7065162302       13.0157480004       14.8402544526
  C        17.0853041795       13.1507099115       13.4997811542
  C        16.5025408262       12.2894126472       12.5619830828
  C        15.5580230422       11.3364199421       12.9604065683
  C        16.8403452879       12.3984074602       11.0971336216
  F        17.8573317625       13.2703023484       10.8532178209
  F        15.7543194085       12.8158338980       10.3463228253
  F        17.2356537830       11.1908928547       10.5620988605
  C        17.2402280743       13.9408676243       15.8977990924
  F        16.2463604334       14.6720201960       16.4973877964
  F        18.1481419514       14.8382568606       15.4060780050
  F        17.8390898921       13.2540483202       16.9353298895
  C        13.0577405238        9.6413387883       13.5951557410
  C        12.4470971529       10.6720211035       12.8495975129
  C        11.4599746984       10.4138384274       11.8876907430
  C        11.0245284207        9.1097248758       11.6486765591
  C        11.6024160061        8.0732355388       12.3843542851
  C        12.5975434103        8.3342442741       13.3324533817
  C        11.0278783618        6.6990496507       12.2313306170
  F        10.4976259728        6.4945072138       10.9950395702
  F        11.9221133195        5.6916646661       12.4647840036
  F        10.0067432562        6.4973666790       13.1306799934
  C        10.9013094822       11.5261290210       11.0448853472
  F         9.7390723756       11.1774046760       10.4122012204
  F        10.6228701811       12.6625969868       11.7456931250
  F        11.7655800090       11.8851929558       10.0485095029
  C        15.1993182533        8.7433985470       15.0527761979
  C        15.8648621001        8.5702356405       16.2886159533
  C        16.8114178087        7.5569580570       16.4664302898
  C        17.1114563301        6.6619391565       15.4359757075
  C        16.4837144619        6.8314128818       14.2094478656
  C        15.5676557957        7.8698304146       14.0149855433
  C        17.4851608572        7.2660895878       17.7714317952
  F        17.6138686674        8.3288367694       18.6227359275
  F        16.7942339773        6.3143394082       18.4812500174
  F        18.7599165481        6.7891531655       17.5415510368
  C        11.3902310616       13.4254069317       17.4288543409
  F        10.7856274484       13.6681187695       18.6258008485
  F        10.4803373975       13.7345564658       16.4310724835
  F        12.4020610700       14.3395349194       17.3057421391
  F        17.6290165044        4.8718031685       13.4868321899
  F        17.3764306710        6.5267741802       12.0280103835
  F        15.6569554873        5.2682954849       12.6113516700
  C        16.7890427420        5.8807560495       13.0923618881
  H        10.7194240498       11.2914860846       18.9797138179
  H        13.0729914460       12.4675478499       15.5789571891
  H        13.1092548194        8.3752633981       16.8976890315
  H        15.5263847041       11.9559701731       16.2869252583
  H        17.7960785164       13.9127543324       13.1954480894
  H        15.1130353167       10.6971128438       12.1995009948
  H        12.7464202522       11.7049658246       13.0229804893
  H        10.2356902630        8.9063840708       10.9311227007
  H        13.0195353016        7.4948899270       13.8843388711
  H        15.6448696942        9.2380598963       17.1215477177
  H        17.8138878995        5.8505550688       15.5947169680
  H        15.1267987200        7.9918800200       13.0287317447
  F         2.7328126463       18.6351304871       20.1035490582
  C         2.7344662418       18.2908801975       18.7720864634
  F         1.4100024725       18.0812022263       18.4722081672
  F         3.3611408570       17.0876954723       18.6309060719
  C         3.3486006946       19.3574768158       17.9207476595
  C         4.1852113005       19.0336238430       16.8467700425
  C         4.6918550498       20.0178501618       15.9725490711
  C         4.2654794803       21.3348835054       16.2173105241
  C         3.4423833514       21.6645208057       17.3018702458
  C         2.9847657195       20.6829969429       18.1775697067
  C         2.9243040083       23.0649736775       17.4356648013
  F         2.2996478246       23.2919616670       18.6247061206
  F         3.9026563649       24.0242624705       17.3049729916
  F         1.9933473640       23.2927668690       16.4321720158
  B         5.6127016046       19.6416551413       14.6711388590
  C         6.6622800795       18.4236214134       14.9666692267
  C         7.2789457227       18.2907351024       16.2224776518
  C         8.2436845823       17.3101936996       16.4684568054
  C         8.6334186820       16.4115646441       15.4750919253
  C         8.0520205568       16.5456630809       14.2154908307
  C         7.1004605377       17.5423596875       13.9622164555
  C         8.4237038747       15.5973606589       13.1142072594
  F         7.3128648972       15.0305652263       12.5395029063
  F         9.2157302621       14.5690612864       13.5622077441
  F         9.1083512685       16.2278318223       12.1005275272
  C         8.7834711335       17.1553360371       17.8523150128
  F         8.9099580094       18.3676170617       18.4841518413
  F        10.0144885171       16.5637930777       17.8927852593
  F         7.9536202972       16.3791696829       18.6304254511
  C         6.6263290099       20.8597904000       14.2678187205
  C         7.2021467994       21.7107964749       15.2294969274
  C         8.1652845440       22.6671794436       14.8899341653
  C         8.6041089398       22.8106446848       13.5701541821
  C         8.0436111563       21.9732266485       12.6052148879
  C         7.0828530729       21.0176491370       12.9491810575
  C         8.4055209464       22.1116377697       11.1586016911
  F         8.8235838382       20.9047895945       10.6310864124
  F         9.3806320138       23.0319097940       10.9269967623
  F         7.3251886730       22.5145716720       10.4089491759
  C         8.6825824286       23.5857842839       15.9565061696
  F         9.6019866518       24.4691893703       15.4766157990
  F         7.6878264634       24.3577177789       16.5045446740
  F         9.2707544322       22.8897594113       17.0031705595
  C         4.5470677237       19.2809735942       13.4780237680
  C         4.0561320202       17.9780148049       13.2699485313
  C         3.0887622699       17.6933883110       12.2944420868
  C         2.5704648553       18.7083183796       11.4888565522
  C         3.0249812848       20.0164358314       11.6971994685
  C         3.9858381515       20.2931914116       12.6730470951
  C         2.4023765680       21.1138551400       10.8849743794
  F         2.3718528313       20.7823744963        9.5399242314
  F         1.0918643379       21.3333929753       11.2598816659
  F         3.0361977651       22.3162980862       10.9978328754
  C         2.5099879956       16.3086439487       12.1869881896
  F         1.9326304174       16.0519769831       10.9845502109
  F         3.4285338328       15.3136344251       12.3967720373
  F         1.5231666549       16.1213647984       13.1302397952
  H         4.4389146213       17.9863224954       16.6811293169
  H         4.5761826914       22.1288017461       15.5407802171
  H         2.3432030346       20.9376570930       19.0159826548
  H         7.0045575783       18.9675904407       17.0300685026
  H         9.3547474329       15.6274359863       15.6829369755
  H         6.6897017267       17.6250291701       12.9573707184
  H         6.8914631587       21.6353019250       16.2705577680
  H         9.3425218369       23.5592094828       13.3015504647
  H         6.6782147859       20.3820490492       12.1631985541
  H         4.4322181732       17.1596875088       13.8822047987
  H         1.8274707255       18.4864846062       10.7262382454
  H         4.3088653178       21.3239816927       12.8067182683
  F        15.6192438392        1.2738470373       -0.2930370521
  C        15.6610892707        1.6676903268        1.0288307809
  F        16.9904177588        1.8956154235        1.3190722850
  F        15.0493401550        2.8842608126        1.1024699383
  C        15.0708135229        0.6110671061        1.9267219074
  C        14.2445394013        0.9258576382        3.0131572210
  C        13.7498613068       -0.0701532391        3.8844093091
  C        14.1960419522       -1.3810586007        3.6517512204
  C        15.0049806605       -1.7046130990        2.5582948838
  C        15.4349295599       -0.7175747754        1.6707129678
  C        15.4679529120       -3.1202809714        2.3844865049
  F        16.0484960894       -3.3176037587        1.1716490150
  F        14.4481050440       -4.0419564897        2.4967244226
  F        16.4088282860       -3.4510247989        3.3552101955
  B        12.7986251773        0.2637175793        5.1737228605
  C        11.7324806977        1.4684567519        4.8593373903
  C        11.1213447283        1.5749505420        3.5937635757
  C        10.1457606933        2.5396839139        3.3247230046
  C         9.7287073831        3.4396809691        4.3096839141
  C        10.3105395377        3.3409275904        5.5705519884
  C        11.2860579892        2.3694930255        5.8418147357
  C         9.9384742025        4.3065499008        6.6588158660
  F        11.0560973697        4.8855900647        7.1936537869
  F         9.1282328364        5.3309467932        6.2346690284
  F         9.3019295359        3.6787911609        7.7015641118
  C         9.6231341640        2.7123415001        1.9324701159
  F         9.4969636714        1.5329451715        1.2493874916
  F         8.4047033919        3.3398205917        1.9041997930
  F        10.4706963985        3.4739151252        1.1648111428
  C        11.8089771113       -0.9845003818        5.5623841792
  C        11.2801497767       -1.8705507939        4.6050665326
  C        10.3044423196       -2.8192451648        4.9321723495
  C         9.8232282645       -2.9396138597        6.2388886198
  C        10.3443275023       -2.0770113426        7.2017675292
  C        11.3095348790       -1.1198355779        6.8691262080
  C         9.9455862174       -2.1892625890        8.6410032716
  F         9.5859933130       -0.9746343834        9.1685151912
  F         8.9064633221       -3.0510610218        8.8708453339
  F        11.0136841971       -2.6149066995        9.3939760808
  C         9.7549867268       -3.7013163476        3.8512756750
  F         8.8178325393       -4.5680385473        4.3254503462
  F        10.7203925363       -4.4541024919        3.2274638845
  F         9.1423554293       -2.9680229727        2.8567972519
  C        13.8586071979        0.6118595990        6.3704929358
  C        14.3494905058        1.9109048507        6.5861399841
  C        15.3228017737        2.1885933492        7.5563148745
  C        15.8536382507        1.1754164083        8.3508917898
  C        15.4103128042       -0.1317268546        8.1185696723
  C        14.4407488834       -0.4062747830        7.1519010359
  C        16.0240899916       -1.2302498728        8.9289206641
  F        16.0422773207       -0.8772327137       10.2663058092
  F        17.3295537012       -1.4918512998        8.5813813722
  F        15.3723042707       -2.4181148010        8.8055276383
  C        15.8742924723        3.5791533750        7.6484094179
  F        16.4722104709        3.8593352735        8.8494293706
  F        14.9153426115        4.5293261847        7.4129597096
  F        16.8257532761        3.7870934253        6.6731820685
  H        13.9832558470        1.9685154266        3.1898336716
  H        13.9052576452       -2.1758349802        4.3381949468
  H        16.0514418682       -0.9735381725        0.8138264451
  H        11.4153876042        0.8892616902        2.7996672442
  H         8.9871481691        4.2017652981        4.0942186909
  H        11.7114533831        2.3265952518        6.8440350375
  H        11.6308889394       -1.8250137915        3.5750474763
  H         9.0814992154       -3.6871769244        6.5012570614
  H        11.6784778881       -0.4605471579        7.6537233959
  H        13.9700672883        2.7341638885        5.9827965038
  H        16.5891831912        1.3943244347        9.1203385681
  H        14.1333261655       -1.4404397705        7.0041786653
  H        10.7942942678       11.7793475917        4.7891291667
  H        11.6395948008       10.0894070027        3.1647314399
     646
 i =       81, E =         0.0091907408
 Rh         3.6324451077        0.2343684666        4.8167244039
  P         5.3849908718        0.6383473365        6.2795136420
  C         5.2343741386       -0.2853109416        7.8748300696
  C         4.8192940357       -1.7536757400        7.6734142616
  C         4.5367466971       -2.4198770863        9.0299279328
  C         5.7213667163       -2.2870948415        9.9982621782
  C         6.1918687276       -0.8321970738       10.1420626752
  C         6.4734055472       -0.1796502368        8.7780842682
  C         5.6734581514        2.4035626192        6.7934780992
  C         4.6565098430        2.8114581009        7.8847690712
  C         4.6035351731        4.3238682195        8.1621513283
  C         4.5315957899        5.1493123467        6.8746832533
  C         5.7119515009        4.7958831023        5.9675941890
  C         5.6173488364        3.3224641184        5.5557840865
  C         6.9965858489        0.0914759970        5.5112538849
  C         6.9631631627        0.2302598088        3.9814566902
  P         5.3031776993       -0.2374949550        3.2828614825
  C         5.4428085069       -2.0260147490        2.7755672887
  C         4.3351114721       -2.4084105631        1.7736663455
  C         4.3754771854       -3.9032810470        1.4402709545
  C         4.2326193926       -4.7547372098        2.7034861309
  C         5.3534913679       -4.4298128163        3.6960041300
  C         5.3957492307       -2.9278543775        4.0308399346
  C         5.1571138907        0.7134758183        1.7016798896
  C         4.8869168007        2.2153233232        1.9187940643
  C         4.4339265782        2.8368756658        0.5871828003
  C         5.4807291288        2.6311350206       -0.5200670758
  C         5.9107543438        1.1597167192       -0.6532903261
  C         6.3147820594        0.5450482824        0.7007038332
  C         1.8737051258        0.3121916420        3.4672623467
  C         1.9013864410       -0.9420637007        4.0831599691
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  H        12.5764483169       12.2087413278        0.2223389777
  H        13.4884808472       13.6322734704        0.7225737708
  H        14.2700412669       12.7399799367       -1.5017327948
  H        15.5558535009       12.7398622643       -0.3016418744
  H        15.3593498378        8.9944421776        0.3835432774
  H        16.1685813606       10.4699825616        0.8968992400
  H        13.8901066968       10.3059425315       -1.1501065254
  H        15.5946733843       10.5884875741       -1.5261874994
  H        13.2961576112        9.7208450370        8.2431002613
  H        12.9132430376        7.6155109206        6.9655917043
  H        14.5900644443        7.1430144781        7.2323727847
  H        13.0529562514        6.1278308434        8.9655361032
  H        12.5391106931        7.7431797286        9.4394167199
  H        14.3127577165        6.9150368945       10.9978521117
  H        15.4037746079        6.6590478263        9.6427472880
  H        15.9599077302        8.8189876635       10.7316465311
  H        14.2778331091        9.3500052059       10.5907686450
  H        16.2369414609        8.8788979971        8.2773317556
  H        15.6241573885       10.4255665294        8.8476940273
  H        10.0999432868       10.1444296160        2.4675581899
  H        11.2001706439        9.2673118515        7.1849913331
  H         9.1069929292       10.6026372447        6.4925495474
  H         8.0493755189        9.4108127493        4.3010744886
  H         8.5069582086        8.1802725468        5.5194456535
  H         9.9915842506        7.8075973090        3.3178645636
  H         9.1645861538       11.5758322879        4.1352975155
  H        11.5993313258        7.3519671466        5.3268965518
  F         8.5046053757       11.5990481666        1.4660876356
  C         7.2305301097       11.2415166357        1.0679531680
  F         6.4852064964       12.3767069429        1.0310252377
  F         7.3491003311       10.8239861384       -0.2339773204
  C         6.6351674541       10.1723384497        1.9326270764
  C         7.0356563076        8.8526388063        1.6980665595
  C         6.4501414053        7.8480459018        2.4613087786
  C         5.5189383514        8.1566288737        3.4667397093
  C         5.1393813838        9.4807242922        3.7561362222
  C         5.7149819159       10.4792154660        2.9397571363
  B         4.2361465198        9.8913165897        5.0697050307
  C         3.2230485238        8.7027354238        5.5699801359
  C         2.5702615401        7.8626024152        4.6554854497
  C         1.6527663098        6.8821869394        5.0599124111
  C         1.2964894100        6.7395524559        6.4032983049
  C         1.8998197871        7.6041470842        7.3262887119
  C         2.8537857936        8.5442319430        6.9186502067
  C         1.5861105002        7.5187163680        8.7945949513
  F         0.6151394153        6.6161125380        9.0897856875
  F         2.6852776476        7.1594248077        9.5348602030
  F         1.1777910560        8.7251681302        9.3119647907
  C         1.1533749825        5.9770288931        3.9701814131
  F         2.1799103528        5.2401110630        3.4416986348
  F         0.1932207225        5.0735636707        4.3300904765
  F         0.6513772876        6.7256597121        2.9277429453
  C         5.3489979770       10.2431865853        6.2079436849
  C         5.9215606517        9.1845464922        6.9212785296
  C         6.8620856750        9.3828625061        7.9334790254
  C         7.3118183185       10.6689293253        8.2478729266
  C         6.8111568700       11.7401461179        7.4919475393
  C         5.8403814983       11.5265455663        6.5016006227
  C         7.3314950006       13.1415460918        7.6998154757
  F         7.8477148386       13.3445004224        8.9470297998
  F         6.3563179893       14.0823307248        7.4838765420
  F         8.3378363920       13.4809034799        6.8176387716
  C         7.2736583326        8.1337086928        8.6583844433
  F         8.4341913006        8.2301701336        9.3836611974
  F         7.4259927362        7.0981166844        7.7768349210
  F         6.2866953612        7.7325863223        9.5344119562
  C         3.2154923576       11.1268516871        4.7930660522
  C         2.6181319729       11.2776401325        3.5334047850
  C         1.6680716792       12.2664193851        3.2883530938
  C         1.2848483107       13.1744905704        4.2765917588
  C         1.8538394062       13.0265040852        5.5404667107
  C         2.7811439833       12.0076600328        5.7996133698
  C         1.1071918831       12.3800054892        1.9149879893
  F         1.0162998694       11.1549033025        1.3118081708
  F         1.8939978872       13.1560309379        1.0971215900
  F        -0.1569707700       12.9033405163        1.9041437338
  C         6.8227779351        6.4131711352        2.2179965747
  F         7.6159704826        6.2388792274        1.1137808649
  F         7.4990874657        5.8842801158        3.2982195293
  F         5.7125127867        5.6260405150        2.0532386375
  F         0.7127802429       15.0289286133        6.2358757810
  F         0.8948796476       13.3790384105        7.6970260757
  F         2.6778061386       14.5676205259        7.1196804631
  C         1.5256810664       13.9951652979        6.6379477356
  H         7.7760321262        8.6150658821        0.9392803874
  H         5.0841688786        7.3371772795        4.0377863708
  H         5.4395846647       11.5213293785        3.0955308686
  H         2.7852239953        7.9599188998        3.5918279268
  H         0.5934218505        5.9745986285        6.7211791923
  H         3.3284649856        9.1627910146        7.6786990791
  H         5.6176262337        8.1655999885        6.6877192357
  H         8.0417265082       10.8334525033        9.0332740782
  H         5.4483735105       12.3877879241        5.9636922073
  H         2.8925729695       10.6005773313        2.7260048639
  H         0.5773131779       13.9693338410        4.0649389143
  H         3.1761904380       11.9084025625        6.8099004639
  F         9.9829549998        8.3890286530       18.4854385652
  C        11.2756937096        8.6565802745       18.8880586061
  F        11.9352007960        7.4699088773       18.8447606000
  F        11.2168005634        9.0172331826       20.2239988024
  C        11.8827274874        9.7263768080       18.0240616403
  C        11.4261936786       11.0379383964       18.1937339208
  C        11.8829214846       12.0116131316       17.3051550026
  C        12.7632807798       11.6812883096       16.2659633480
  C        13.2472674833       10.3741698186       16.0807926924
  C        12.7792332197        9.4070199027       16.9960141119
  B        14.1587775688        9.9803547425       14.7711763585
  C        15.1636110541       11.1853243178       14.3029836412
  C        15.7778533337       12.0431482463       15.2303768251
  C        16.7061845984       13.0162263200       14.8401731595
  C        17.0854079930       13.1508772934       13.4994672153
  C        16.5029939671       12.2895819091       12.5616846956
  C        15.5587669482       11.3360983969       12.9601118994
  C        16.8405247744       12.3984607040       11.0971998730
  F        17.8571756442       13.2702289036       10.8532883776
  F        15.7543304034       12.8158910416       10.3462836751
  F        17.2356437194       11.1909040816       10.5620062675
  C        17.2400971944       13.9410035688       15.8977270746
  F        16.2464169728       14.6720144124       16.4973254386
  F        18.1481485228       14.8383628796       15.4060882753
  F        17.8390154130       13.2540758698       16.9351913280
  C        13.0569903927        9.6415132192       13.5949811220
  C        12.4472849367       10.6722390936       12.8494751708
  C        11.4604054931       10.4130382380       11.8874120365
  C        11.0256053598        9.1093070721       11.6475439532
  C        11.6023360849        8.0738533679       12.3842018181
  C        12.5965864805        8.3348404587       13.3337907503
  C        11.0277293296        6.6990554814       12.2313179670
  F        10.4975241420        6.4946764997       10.9947350331
  F        11.9224376516        5.6914205437       12.4650350008
  F        10.0066883388        6.4974595344       13.1308847155
  C        10.9005560565       11.5271607043       11.0456839628
  F         9.7389258892       11.1770809488       10.4121197081
  F        10.6226008328       12.6618804985       11.7457780269
  F        11.7670712388       11.8847669793       10.0461425995
  C        15.1992419773        8.7429136379       15.0520385469
  C        15.8643589347        8.5698796411       16.2882750961
  C        16.8114117826        7.5567789048       16.4663057618
  C        17.1115432919        6.6622034011       15.4355539015
  C        16.4833202018        6.8316478150       14.2093846582
  C        15.5673252989        7.8697029943       14.0144629973
  C        17.4851190351        7.2662818118       17.7714029489
  F        17.6138081834        8.3285885978       18.6225212383
  F        16.7943165967        6.3143866808       18.4812209155
  F        18.7596771343        6.7892178530       17.5414945028
  C        11.3903551373       13.4253700326       17.4289056416
  F        10.7856693761       13.6680681768       18.6257686797
  F        10.4804278188       13.7344646340       16.4311745147
  F        12.4020576069       14.3395409810       17.3058109506
  F        17.6286337694        4.8702014951       13.4867576099
  F        17.3756840477        6.5267719956       12.0276127906
  F        15.6581779782        5.2677337142       12.6122840092
  C        16.7887226738        5.8815105545       13.0920302510
  H        10.7209359829       11.2916619185       18.9806489697
  H        13.0743442362       12.4678489192       15.5796481744
  H        13.1074488248        8.3747895710       16.8955966173
  H        15.5243137216       11.9580686398       16.2861096406
  H        17.7963317228       13.9129534085       13.1952046570
  H        15.1147342093       10.6960692791       12.1992106827
  H        12.7464107634       11.7052463447       13.0224997749
  H        10.2383805611        8.9059465826       10.9285028315
  H        13.0169602649        7.4957352334       13.8873116316
  H        15.6436983624        9.2375125422       17.1215274759
  H        17.8143989644        5.8509104089       15.5943141302
  H        15.1265827877        7.9913035063       13.0286522547
  F         2.7337823187       18.6364904927       20.1029064045
  C         2.7345132296       18.2894014680       18.7728941500
  F         1.4087328291       18.0830404644       18.4705008606
  F         3.3637837665       17.0878520710       18.6301571188
  C         3.3473509932       19.3570469664       17.9209377771
  C         4.1855229930       19.0336420952       16.8457830257
  C         4.6922339703       20.0191541486       15.9716150715
  C         4.2662921724       21.3352709611       16.2167714841
  C         3.4422035689       21.6647723706       17.3012167015
  C         2.9842759076       20.6828432906       18.1758103142
  C         2.9242431381       23.0647687308       17.4359270565
  F         2.2995833631       23.2918445891       18.6248894844
  F         3.9028032464       24.0240892255       17.3049701432
  F         1.9930479784       23.2926575640       16.4317555088
  B         5.6126938391       19.6413714282       14.6712445144
  C         6.6614470200       18.4231252670       14.9664491425
  C         7.2784116900       18.2899652873       16.2227340929
  C         8.2434268067       17.3102723241       16.4686138016
  C         8.6339698730       16.4116974633       15.4752129705
  C         8.0515570263       16.5453757718       14.2149043521
  C         7.0997122725       17.5413059740       13.9626515970
  C         8.4237117954       15.5972625274       13.1143765934
  F         7.3128428736       15.0305388676       12.5395769386
  F         9.2156389881       14.5691613134       13.5621249084
  F         9.1083389355       16.2278017804       12.1006064801
  C         8.7833666737       17.1552017011       17.8522585075
  F         8.9098298037       18.3674332476       18.4840444345
  F        10.0144225443       16.5639691104       17.8928321469
  F         7.9537824561       16.3793569847       18.6303927629
  C         6.6265220064       20.8594828766       14.2677088275
  C         7.2025461393       21.7103950701       15.2293449580
  C         8.1652369824       22.6673748664       14.8897536215
  C         8.6034736183       22.8113262884       13.5698723028
  C         8.0434739744       21.9735938062       12.6050815358
  C         7.0829153626       21.0175543482       12.9490232754
  C         8.4053774286       22.1117609176       11.1584810863
  F         8.8235767974       20.9048461545       10.6310746623
  F         9.3806983303       23.0320333854       10.9270885435
  F         7.3250723642       22.5145381516       10.4089850432
  C         8.6825164564       23.5857808816       15.9564606006
  F         9.6019832944       24.4692180529       15.4765667320
  F         7.6877829473       24.3577006826       16.5046142033
  F         9.2706300914       22.8897521194       17.0031255704
  C         4.5465643792       19.2810847513       13.4779803157
  C         4.0558870052       17.9782985602       13.2700068942
  C         3.0884259030       17.6937078835       12.2947848916
  C         2.5695922754       18.7086672136       11.4894969311
  C         3.0244611448       20.0165724061       11.6977235175
  C         3.9853510111       20.2935737147       12.6735008402
  C         2.4017642043       21.1138487453       10.8848825273
  F         2.3719655382       20.7822038402        9.5401500737
  F         1.0917024139       21.3334132434       11.2600745339
  F         3.0366047287       22.3166932858       10.9981501960
  C         2.5099371099       16.3086611192       12.1871138740
  F         1.9324683308       16.0519415294       10.9844330640
  F         3.4285456581       15.3137181443       12.3968416318
  F         1.5230465052       16.1213425341       13.1304115251
  H         4.4395803798       17.9858805105       16.6800259538
  H         4.5773763514       22.1286841612       15.5421244377
  H         2.3410475726       20.9366914980       19.0145046917
  H         7.0032723697       18.9664644749       17.0302097238
  H         9.3557755167       15.6282496443       15.6824601545
  H         6.6879499445       17.6231918586       12.9576761039
  H         6.8921965169       21.6345254705       16.2705311696
  H         9.3410331491       23.5605424618       13.3010732348
  H         6.6783213478       20.3820029203       12.1628735967
  H         4.4320204651       17.1599927027       13.8821055218
  H         1.8258813104       18.4870770008       10.7273893728
  H         4.3079139379       21.3243723512       12.8073763494
  F        15.6197858199        1.2738327447       -0.2928127861
  C        15.6609359328        1.6676633540        1.0284787873
  F        16.9903149145        1.8957593873        1.3193932013
  F        15.0495696796        2.8843704878        1.1028482912
  C        15.0710822197        0.6113885755        1.9266376837
  C        14.2436270448        0.9258083911        3.0122356772
  C        13.7489193608       -0.0700532527        3.8836792302
  C        14.1950298681       -1.3811416762        3.6507723337
  C        15.0051504212       -1.7046444912        2.5581014475
  C        15.4361891254       -0.7173197496        1.6713613671
  C        15.4680546755       -3.1200560824        2.3843949209
  F        16.0484845101       -3.3175723959        1.1716255135
  F        14.4480507642       -4.0419410656        2.4967124842
  F        16.4088516220       -3.4509924993        3.3551736002
  B        12.7981250175        0.2643698517        5.1730375272
  C        11.7327438602        1.4692331415        4.8583849038
  C        11.1217790211        1.5759057474        3.5930402226
  C        10.1455645010        2.5407235720        3.3245239969
  C         9.7289804878        3.4404592886        4.3094115891
  C        10.3103752722        3.3419056021        5.5700095710
  C        11.2862138300        2.3701273558        5.8411789292
  C         9.9385898576        4.3065401844        6.6587578544
  F        11.0565077380        4.8857488338        7.1937428269
  F         9.1282635932        5.3311081464        6.2347170592
  F         9.3020750940        3.6790465354        7.7014209243
  C         9.6236598448        2.7134344589        1.9320299685
  F         9.4969055169        1.5329715398        1.2492589205
  F         8.4040903548        3.3392290712        1.9040652823
  F        10.4703110932        3.4735266407        1.1649404623
  C        11.8079101821       -0.9833077862        5.5617677632
  C        11.2784806831       -1.8688440106        4.6044429924
  C        10.3038342544       -2.8184076779        4.9317784369
  C         9.8230093569       -2.9390823602        6.2387064400
  C        10.3441124257       -2.0765215655        7.2016288752
  C        11.3091690384       -1.1191186079        6.8688481392
  C         9.9454284580       -2.1892601222        8.6409422818
  F         9.5860614610       -0.9744394791        9.1686220983
  F         8.9066407223       -3.0509301362        8.8706630431
  F        11.0137892747       -2.6148615769        9.3939102407
  C         9.7548295224       -3.7010409876        3.8512354974
  F         8.8178604679       -4.5680268196        4.3253544607
  F        10.7204141745       -4.4539771470        3.2276693258
  F         9.1423348050       -2.9680765965        2.8565470779
  C        13.8583580710        0.6124514667        6.3698966863
  C        14.3489427809        1.9109408406        6.5853838569
  C        15.3233020632        2.1886480534        7.5557756827
  C        15.8541174691        1.1748518282        8.3488341281
  C        15.4108556270       -0.1313148939        8.1181773044
  C        14.4397789465       -0.4064491848        7.1513819864
  C        16.0239930664       -1.2303062687        8.9285480094
  F        16.0422769194       -0.8771367174       10.2660350027
  F        17.3294891737       -1.4917725544        8.5813626210
  F        15.3723597025       -2.4180454519        8.8055046987
  C        15.8743595022        3.5791378186        7.6479546486
  F        16.4721181496        3.8592361807        8.8488636520
  F        14.9153115960        4.5293689515        7.4128516926
  F        16.8258072223        3.7871948917        6.6730470017
  H        13.9813122894        1.9683579268        3.1881719991
  H        13.9031166772       -2.1761421698        4.3364370270
  H        16.0544265204       -0.9728264099        0.8154943679
  H        11.4155879205        0.8910471369        2.7986770211
  H         8.9873626441        4.2029772859        4.0939747877
  H        11.7116280109        2.3269757829        6.8435272241
  H        11.6280806986       -1.8221178797        3.5740693433
  H         9.0814220462       -3.6867091052        6.5011685479
  H        11.6785527097       -0.4600842912        7.6534776861
  H        13.9695820682        2.7346453399        5.9826703239
  H        16.5916591095        1.3939905404        9.1175791544
  H        14.1317531637       -1.4397581543        7.0044687092
  H        10.7958474934       11.7779696775        4.7879144116
  H        11.6370229250       10.0880527835        3.1622656893
     646
 i =       82, E =         0.0022129613
 Rh         3.6329218869        0.2345661506        4.8167540211
  P         5.3850346359        0.6383403977        6.2798369067
  C         5.2337999597       -0.2860515382        7.8745519850
  C         4.8198887771       -1.7550131455        7.6733454914
  C         4.5368687854       -2.4204816899        9.0297326384
  C         5.7214652253       -2.2882608621        9.9979690422
  C         6.1916534316       -0.8332946807       10.1418526508
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  H        16.1683099255       10.4676093340        0.8971485718
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  H        13.2955988923        9.7194010287        8.2433524735
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  H        14.5908379935        7.1423651272        7.2320706608
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  H        15.4042592869        6.6583370723        9.6445783979
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  H        11.6006717470        7.3544280322        5.3291562853
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  F         7.3493070109       10.8242418574       -0.2336935177
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  C         7.0341530279        8.8525372068        1.6966851669
  C         6.4498417448        7.8479775514        2.4612290779
  C         5.5198188576        8.1567088803        3.4675040718
  C         5.1398910775        9.4806689470        3.7567519232
  C         5.7156224434       10.4793235594        2.9403230495
  B         4.2358768655        9.8921982405        5.0701228424
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  C         2.5708598032        7.8622393075        4.6556807707
  C         1.6526256597        6.8818343385        5.0598861990
  C         1.2961536209        6.7396154179        6.4030510165
  C         1.8989558444        7.6041341873        7.3265160452
  C         2.8526422686        8.5450215137        6.9185303643
  C         1.5859608216        7.5176694745        8.7948640631
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  F         2.6849333594        7.1596299706        9.5344143616
  F         1.1774566286        8.7250247707        9.3119878230
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  F         0.1932636521        5.0737038953        4.3300554971
  F         0.6514524037        6.7255125990        2.9278810017
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  C         5.9205863285        9.1849179281        6.9217543439
  C         6.8617782781        9.3818770709        7.9339145962
  C         7.3115482817       10.6688763810        8.2476774689
  C         6.8119908120       11.7408654789        7.4925260184
  C         5.8410923398       11.5268039792        6.5009302336
  C         7.3317349632       13.1425543733        7.6994269214
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  F         6.3548295238       14.0814019698        7.4848506471
  F         8.3392117282       13.4798767838        6.8171841070
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  F         7.4259129203        7.0984221345        7.7769602159
  F         6.2865459219        7.7327300123        9.5343860332
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  C         2.6192887556       11.2774274677        3.5334256414
  C         1.6667158057       12.2680758420        3.2880014658
  C         1.2853622125       13.1731017545        4.2769747255
  C         1.8520452564       13.0286535590        5.5392451821
  C         2.7824942210       12.0079632466        5.7994056989
  C         1.1072041801       12.3799579087        1.9154899279
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  F         1.8931489908       13.1553892778        1.0972170098
  F        -0.1558145239       12.9026409572        1.9031983246
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  F         7.4990214359        5.8842446482        3.2979936036
  F         5.7126905264        5.6259191308        2.0530501328
  F         0.7131656112       15.0285000158        6.2351530282
  F         0.8947193189       13.3790445869        7.6961837877
  F         2.6777109513       14.5679552388        7.1190327425
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  H         7.7724627460        8.6146645864        0.9364124302
  H         5.0860000451        7.3373436133        4.0397326681
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  H         5.6162447354        8.1664226871        6.6892760748
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  H         5.4501263073       12.3879191851        5.9620751518
  H         2.8932699538       10.6014159349        2.7258455651
  H         0.5761003887       13.9685133483        4.0653708536
  H         3.1781087340       11.9098207916        6.8097859609
  F         9.9833252192        8.3890153021       18.4859692665
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  F        11.9349657373        7.4697292548       18.8446652407
  F        11.2162865117        9.0175142911       20.2244946722
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  C        11.4268555857       11.0383470056       18.1938859571
  C        11.8830955699       12.0114605034       17.3057356368
  C        12.7637629175       11.6817404524       16.2661852851
  C        13.2473920587       10.3737654774       16.0806281848
  C        12.7784956430        9.4069991566       16.9954503456
  B        14.1597444746        9.9800248076       14.7713322992
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  C        15.7771574488       12.0439770212       15.2300688616
  C        16.7060674167       13.0165566587       14.8395964457
  C        17.0855550666       13.1510143674       13.4992232593
  C        16.5030736744       12.2895250535       12.5617441030
  C        15.5593136030       11.3357760986       12.9601461505
  C        16.8417904950       12.3977763880       11.0980876985
  F        17.8568605054       13.2700059087       10.8524654128
  F        15.7536514287       12.8162930374       10.3451525793
  F        17.2353346079       11.1917692552       10.5618778360
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  F        18.1483039995       14.8382836878       15.4059706602
  F        17.8390000271       13.2541199286       16.9350078789
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  C        12.4468368387       10.6718933795       12.8487962428
  C        11.4610115578       10.4132705207       11.8871733637
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  C        11.6041173772        8.0757979582       12.3854705637
  C        12.5963168045        8.3349168795       13.3354451531
  C        11.0272934649        6.6983368259       12.2310746935
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  F        11.9238141277        5.6903394660       12.4657568314
  F        10.0057183615        6.4974935217       13.1320824270
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  F        10.6246670887       12.6598688760       11.7433539009
  F        11.7666231419       11.8880427547       10.0460483548
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  C        15.8637042790        8.5699431165       16.2880684447
  C        16.8110356328        7.5567647674       16.4655186546
  C        17.1122449677        6.6617284737       15.4356701555
  C        16.4850862094        6.8299262871       14.2090051924
  C        15.5678862500        7.8690946345       14.0153452358
  C        17.4852945185        7.2662860513       17.7718960868
  F        17.6137800688        8.3291202766       18.6226854797
  F        16.7936458280        6.3138110605       18.4812372048
  F        18.7600943989        6.7889150146       17.5412650806
  C        11.3906001692       13.4252193784       17.4288989440
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  F        10.4806827448       13.7348133811       16.4314181395
  F        12.4017069517       14.3396265127       17.3058156476
  F        17.6318293742        4.8721437748       13.4883366587
  F        17.3767379327        6.5266126093       12.0295591102
  F        15.6562019097        5.2704957574       12.6114510375
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  H        10.7223733314       11.2917315090       18.9811923241
  H        13.0754627354       12.4681263759       15.5801503462
  H        13.1060422142        8.3741879105       16.8938314455
  H        15.5226067536       11.9597416035       16.2856518324
  H        17.7964877360       13.9130225224       13.1950767008
  H        15.1161656679       10.6952646867       12.1991232489
  H        12.7465620625       11.7061115449       13.0221594816
  H        10.2403330593        8.9055562097       10.9261151645
  H        13.0143437839        7.4973364976       13.8890682436
  H        15.6428490365        9.2366339901       17.1207516572
  H        17.8139771833        5.8521241089       15.5935601014
  H        15.1253441674        7.9911486437       13.0264423594
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  F         3.3574623120       17.0870579248       18.6334204498
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  C         3.4420888534       21.6639699855       17.3012236112
  C         2.9831095933       20.6813657451       18.1755875776
  C         2.9244791036       23.0643715937       17.4355754701
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  F         3.9022403287       24.0245460344       17.3054240597
  F         1.9928162242       23.2935790861       16.4319998960
  B         5.6135445218       19.6414386349       14.6699208165
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  C         7.2777720119       18.2895628584       16.2226019664
  C         8.2438605750       17.3096442201       16.4688182405
  C         8.6338888841       16.4122230405       15.4745512335
  C         8.0521012441       16.5446477984       14.2154579504
  C         7.0987407927       17.5408048347       13.9624999370
  C         8.4235493235       15.5972904888       13.1144201336
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  F         9.1080334619       16.2275817335       12.1005448917
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  F        10.0140511876       16.5641221844       17.8929156897
  F         7.9542170729       16.3793733269       18.6301178675
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  C         7.2029202360       21.7100174848       15.2290567431
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  F         7.6878202321       24.3578175863       16.5044982200
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  C         3.9850927518       20.2937486434       12.6739109884
  C         2.4007411823       21.1134374960       10.8843003444
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  F         3.4286396691       15.3136404210       12.3965345098
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  C        15.4371760138       -0.7170449249        1.6720567157
  C        15.4679916593       -3.1194023441        2.3838473454
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  F        14.4479027246       -4.0423201418        2.4969030403
  F        16.4091089435       -3.4514946627        3.3554050003
  B        12.7973463199        0.2648832310        5.1725080445
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  C        11.1216978664        1.5771549514        3.5925428045
  C        10.1454762085        2.5410695450        3.3233020750
  C         9.7288734092        3.4415135912        4.3093853623
  C        10.3108859115        3.3425005237        5.5708500368
  C        11.2861616344        2.3708214152        5.8407089831
  C         9.9386270834        4.3068316566        6.6585502593
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  F         9.1284947441        5.3310185135        6.2350274260
  F         9.3024279335        3.6791665421        7.7009447566
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  F         8.4039176875        3.3403259954        1.9048644703
  F        10.4678044768        3.4720031192        1.1680241828
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  C        11.2770842152       -1.8674583187        4.6039636573
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  C        10.3439542104       -2.0760801688        7.2015168429
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  C         9.9451936052       -2.1893662722        8.6407208925
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  F         8.9068949668       -3.0504721531        8.8708285074
  F        11.0138397506       -2.6149218851        9.3939962494
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  F        10.7202953959       -4.4539314031        3.2275932275
  F         9.1421723800       -2.9679323961        2.8566404320
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  C        14.3491671906        1.9115298469        6.5853582515
  C        15.3227921417        2.1888276439        7.5543195044
  C        15.8554810567        1.1750918375        8.3481050065
  C        15.4101183272       -0.1324444366        8.1169426218
  C        14.4398050190       -0.4056902055        7.1516783146
  C        16.0239131306       -1.2301679667        8.9282531775
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  F        17.3294196007       -1.4920004195        8.5815370848
  F        15.3725260393       -2.4177226154        8.8056005823
  C        15.8744494836        3.5790349319        7.6475050491
  F        16.4721339569        3.8592314023        8.8484372989
  F        14.9152567716        4.5292654263        7.4128275119
  F        16.8257864740        3.7869796597        6.6730443380
  H        13.9797514513        1.9681036085        3.1867659659
  H        13.9013423947       -2.1762895177        4.3349023775
  H        16.0569311602       -0.9723359151        0.8167789130
  H        11.4158682183        0.8922426728        2.7975901208
  H         8.9874091740        4.2040104960        4.0936601752
  H        11.7115505775        2.3273254071        6.8427119822
  H        11.6257955386       -1.8197496300        3.5730837345
  H         9.0813745769       -3.6863927775        6.5010804673
  H        11.6785220017       -0.4598040812        7.6531538201
  H        13.9691885176        2.7349139215        5.9825991414
  H        16.5933794611        1.3935733139        9.1150402251
  H        14.1303294366       -1.4396666188        7.0046636926
  H        10.7970768567       11.7769416175        4.7868223298
  H        11.6353062776       10.0870003702        3.1602232060
     646
 i =       83, E =         0.0078708606
 Rh         3.6334111122        0.2347955515        4.8168420915
  P         5.3851011089        0.6383399459        6.2801255708
  C         5.2332732139       -0.2869781782        7.8743042518
  C         4.8205551170       -1.7564007595        7.6729832691
  C         4.5367847794       -2.4213011507        9.0296355270
  C         5.7215956695       -2.2895890840        9.9977558567
  C         6.1914421672       -0.8344991446       10.1417670923
  C         6.4719788243       -0.1811797687        8.7781902790
  C         5.6732518861        2.4038131923        6.7945512419
  C         4.6549528059        2.8123430442        7.8842120197
  C         4.6049644931        4.3245598894        8.1627376407
  C         4.5324077107        5.1507267502        6.8758068029
  C         5.7106154375        4.7968524800        5.9661013481
  C         5.6185778965        3.3225534656        5.5564592749
  C         6.9967645506        0.0913201968        5.5122156012
  C         6.9641055019        0.2298555425        3.9824103568
  P         5.3036920305       -0.2373576918        3.2839354173
  C         5.4446077522       -2.0258701657        2.7768848303
  C         4.3389252170       -2.4077037769        1.7730305181
  C         4.3757394823       -3.9029390345        1.4415436458
  C         4.2337643614       -4.7540366603        2.7052787717
  C         5.3554120802       -4.4295068558        3.6969322295
  C         5.3968573064       -2.9278354654        4.0323526878
  C         5.1544244441        0.7126670456        1.7025850823
  C         4.8835785960        2.2146018427        1.9192305943
  C         4.4338622556        2.8373437943        0.5871305934
  C         5.4820289892        2.6317114583       -0.5186541294
  C         5.9097058432        1.1598234127       -0.6527457942
  C         6.3111000946        0.5427523751        0.7009059147
  C         1.8743836593        0.3126023515        3.4677749254
  C         1.9020100858       -0.9413667076        4.0843531342
  C         1.0642331709       -0.8248035935        5.3702533323
  C         1.9272565665        0.1031178591        6.2520824205
  C         1.8968349141        1.3573602821        5.6416254388
  C         1.0162928694        1.2147462953        4.3826439604
  C        -0.0214176014        0.1787188899        4.8951614062
  H         4.3953699744        0.2234996940        8.3771644474
  H         5.6209155857       -2.3016560022        7.1509906587
  H         3.9333105539       -1.8093791959        7.0238746851
  H         4.2848880573       -3.4809752681        8.8802549487
  H         3.6458719253       -1.9521243817        9.4717068030
  H         5.4429283676       -2.6934292349       10.9820245821
  H         6.5579368627       -2.9053957476        9.6403860109
  H         7.0989371681       -0.7841204480       10.7616623865
  H         5.4154681282       -0.2501814424       10.6610219357
  H         6.7776761658        0.8640302654        8.9187014664
  H         7.3176366354       -0.6881440981        8.2956551694
  H         6.6901368841        2.4554229793        7.2163419637
  H         4.8929605309        2.2884312421        8.8199525774
  H         3.6525421223        2.4697608494        7.5913252336
  H         5.4994659569        4.6267652386        8.7257536955
  H         3.7440823986        4.5336738862        8.8141593599
  H         4.5176974715        6.2220603192        7.1175184132
  H         3.5924280780        4.9447962594        6.3418436618
  H         6.6535481948        4.9730064894        6.5022614917
  H         5.7386119563        5.4320888339        5.0719529025
  H         6.4240359910        3.0635396647        4.8539347701
  H         4.6714541223        3.1508674547        5.0187596779
  H         7.8336778272        0.6579574817        5.9454058038
  H         7.1410910302       -0.9595667208        5.8005413753
  H         7.7617261438       -0.3564269792        3.5037441043
  H         7.1203264927        1.2784268607        3.6915499921
  H         6.4220903668       -2.1476762463        2.2829422660
  H         4.4245138339       -1.8174667803        0.8510590978
  H         3.3534638053       -2.1678601078        2.1944250371
  H         5.3247895810       -4.1419267221        0.9406463336
  H         3.5751356376       -4.1333827401        0.7278600651
  H         4.2369318363       -5.8215229108        2.4450104811
  H         3.2549690156       -4.5615198228        3.1696972128
  H         5.2239062124       -4.9943697830        4.6321457303
  H         6.3206276006       -4.7432965064        3.2738113293
  H         6.2622075711       -2.7211231761        4.6781890519
  H         4.5025673849       -2.6589960791        4.6181031031
  H         4.2456687754        0.2832461149        1.2487740383
  H         5.8031205156        2.7096883791        2.2661956527
  H         4.1262471215        2.3670254480        2.7029057925
  H         4.2242994523        3.9082163600        0.7180895222
  H         3.4830121281        2.3707684013        0.2881178956
  H         6.3659967704        3.2482505878       -0.2999332174
  H         5.0849912627        2.9950727163       -1.4779921475
  H         6.7465016288        1.0735060241       -1.3616726040
  H         5.0774409960        0.5730796681       -1.0734159825
  H         7.1989447146        1.0577591759        1.0881564342
  H         6.5913545883       -0.5100203910        0.5695751006
  H         2.1160722177        0.5385645856        2.4329012590
  H         2.1749551245       -1.8914138174        3.6357986675
  H         0.7482883872       -1.7679256717        5.8224958933
  H         2.2086531041       -0.1189450045        7.2773104455
  H         2.1590127791        2.3101522039        6.0921534213
  H         0.6527880595        2.1458123542        3.9405136274
  H        -0.6403729405        0.5596716102        5.7142310615
  H        -0.6536989683       -0.2245940763        4.0975581251
 Rh        14.7186017206       19.6361555067       14.9705031096
  P        12.9451936163       19.2018454841       13.5249328389
  C        13.1149875210       20.1871660156       11.9633013544
  C        13.5010817583       21.6567224361       12.2112944863
  C        13.8462691559       22.3484600232       10.8826798243
  C        12.6914874597       22.2468878920        9.8763591855
  C        12.2634943782       20.7875779585        9.6650069415
  C        11.9288360883       20.0836011048       10.9928360512
  C        12.6465283578       17.4586757563       12.9375354634
  C        13.6561087228       17.0373086187       11.8479400842
  C        13.5869889431       15.5319787451       11.5459123660
  C        13.7881310697       14.7160878794       12.8254884463
  C        12.6813008174       15.0413873350       13.8325683012
  C        12.6715472746       16.5380005462       14.1776351385
  C        11.3236610032       19.6698078132       14.3439644996
  C        11.4147551024       19.6802291717       15.8820652196
  P        13.0951006340       20.1737719274       16.5212992594
  C        12.9443766235       21.9758113289       16.9628486925
  C        13.9868131463       22.4464119602       18.0014231950
  C        14.0047937643       23.9792737887       18.1624491829
  C        14.0787326739       24.7270706744       16.8265459702
  C        12.9389868412       24.2885676039       15.9058132426
  C        13.0492155893       22.7824131441       15.6518212007
  C        13.3249229088       19.2270651990       18.0987798341
  C        13.5814801658       17.7351421848       17.8070394673
  C        14.0390276239       17.0183632904       19.0847560420
  C        13.0047063789       17.1678369575       20.2112541285
  C        12.6185972107       18.6380856583       20.4534147311
  C        12.2208099888       19.3792903602       19.1590562695
  C        16.4365231627       19.6392312318       16.3551374344
  C        16.4598748237       20.8286058925       15.6187612135
  C        17.3285842540       20.5591993457       14.3743738916
  C        16.4572141831       19.5751160266       13.5625158196
  C        16.4293705179       18.3872346295       14.2941703453
  C        17.2847047639       18.6253853677       15.5564679114
  C        18.3702115708       19.5773036164       14.9799002584
  H        13.9852274772       19.7013367700       11.4898921998
  H        12.6659742978       22.1857666739       12.6942038225
  H        14.3516589266       21.7064483362       12.9088323400
  H        14.1102523182       23.3998127760       11.0633402974
  H        14.7440901237       21.8728459734       10.4605405219
  H        12.9865516118       22.6981897692        8.9173813982
  H        11.8336325487       22.8305077370       10.2392756672
  H        11.3924141594       20.7333290253        8.9954497006
  H        13.0823262609       20.2415081078        9.1703761263
  H        11.6627033339       19.0363596759       10.8013493773
  H        11.0434415535       20.5500233140       11.4433148515
  H        11.6366387911       17.4384215011       12.4958122795
  H        13.4693506037       17.6057814017       10.9264782847
  H        14.6794588822       17.2894742552       12.1629550090
  H        12.6087493113       15.2840627127       11.1083418123
  H        14.3414898383       15.2762511265       10.7883728401
  H        13.8123643015       13.6409530032       12.5999172713
  H        14.7691841925       14.9546473285       13.2644839831
  H        11.7101487772       14.7386276444       13.4174384558
  H        12.8170987326       14.4757036816       14.7642303028
  H        11.8109357266       16.7695188095       14.8239435322
  H        13.5712345336       16.7742179104       14.7682711841
  H        10.5429229763       18.9677894549       14.0152056833
  H        11.0341818332       20.6589416518       13.9629454293
  H        10.6426987314       20.3273145849       16.3229046277
  H        11.2427584705       18.6692530682       16.2776962269
  H        11.9359445227       22.1209826543       17.3826166044
  H        13.7771088629       21.9907015231       18.9800475871
  H        14.9905027404       22.1024334709       17.7156777781
  H        13.0974284866       24.2983317609       18.6943029287
  H        14.8541924115       24.2594093936       18.8000139063
  H        14.0486975945       25.8097997416       17.0070609542
  H        15.0417975109       24.5354817833       16.3306534275
  H        12.9617346249       24.8250887256       14.9474862078
  H        11.9697230070       24.5162462478       16.3715504574
  H        12.2887952222       22.4476985921       14.9334695804
  H        14.0240202593       22.5660196966       15.1846595190
  H        14.2537870140       19.6537838421       18.5144328582
  H        12.6537352387       17.2697532016       17.4406130458
  H        14.3264903369       17.6262797647       17.0034384682
  H        14.2213918450       15.9554829426       18.8694346778
  H        15.0048002991       17.4395871898       19.4024327270
  H        12.1062398405       16.5869986463       19.9562913716
  H        13.3977535605       16.7302381631       21.1406267485
  H        11.7863794785       18.6904069538       21.1714216888
  H        13.4682982301       19.1636297592       20.9173859164
  H        11.2797775688       18.9650762941       18.7731857179
  H        12.0302871268       20.4369345525       19.3808355983
  H        16.1762564887       19.5280349916       17.4035959506
  H        16.2013289283       21.8242143682       15.9694090229
  H        17.6885272793       21.4407818958       13.8386215988
  H        16.2020588684       19.7028188046       12.5143560655
  H        16.1341004096       17.4037184496       13.9380383403
  H        17.6011234982       17.7317136105       16.0995326148
  H        19.0054420244       19.1010662919       14.2246455672
  H        18.9880401481       20.0404824837       15.7583813647
 Rh         5.9784186903       10.0671537911       14.9870027596
  P         4.1691410199        9.5833412462       13.6212529564
  C         3.7587495423        7.8414502126       13.0984304567
  C         3.6690108932        6.8969765941       14.3185758765
  C         3.6500554785        5.4150935035       13.9057386898
  C         4.8603767674        5.0797157981       13.0316116330
  C         4.7839264032        5.8920075506       11.7393037168
  C         4.7823700095        7.3983199509       12.0332812125
  C         2.5925232470       10.2131930744       14.3841593872
  C         2.6631307040       10.1208954094       15.9123015539
  P         4.3494484350       10.6175371973       16.5242412394
  C         4.1407379634       12.3857373625       17.0444425230
  C         3.9852648915       13.2802299187       15.7946813856
  C         4.0710978114       14.7770584428       16.1250130716
  C         5.3791657397       15.0765026291       16.8610986141
  C         5.4140398925       14.2980567110       18.1773760846
  C         5.3207588457       12.7866992075       17.9522133421
  C         4.5939028531        9.6784904122       18.0934163310
  C         4.9557420689        8.2046652239       17.8287019761
  C         5.2379346673        7.4879651659       19.1559900276
  C         4.0290517833        7.5864509123       20.0977817847
  C         3.3973939794        9.8074934962       19.0479011053
  C         3.6571915740        9.0533507403       20.3605826456
  C         4.3758704807       10.5353813304       12.0489408012
  C         4.7046219299       12.0173623947       12.3151870694
  C         4.9884178591       12.7633036334       11.0006882187
  C         3.8561022165       12.5867007499        9.9774473022
  C         3.5031123013       11.1088350137        9.7593212353
  C         3.1939816788       10.3947358401       11.0837082704
  C         7.8310902061       11.1875187107       15.5462656777
  C         7.5906916875        8.6902126357       14.3513822259
  C         8.4972949175        8.9309169297       15.5767997043
  C         9.6299139056        9.7687735412       14.9218991181
  C         8.6433921544       10.7941863716       14.2955113330
  C         7.7491429809       10.0440258693       16.3433444638
  C         7.6806588174        9.8372326216       13.5575782854
  H         2.7607462281        7.8906174556       12.6317585410
  H         4.5278652518        7.0675122183       14.9852909865
  H         2.7674766819        7.1328768271       14.9042355620
  H         2.7323300895        5.1860045038       13.3471304869
  H         3.6240217668        4.7970873271       14.8104093238
  H         5.7881725815        5.3152801779       13.5751820837
  H         4.9062259234        4.0053890427       12.8067186413
  H         5.6241356236        5.6631493832       11.0697088005
  H         3.8689436595        5.6148571714       11.1964245577
  H         4.5785179118        7.9458565463       11.1071776219
  H         5.7935787553        7.6936559494       12.3478834833
  H         2.4803437521       11.2585019824       14.0649588114
  H         1.7294373457        9.6616226144       13.9852379217
  H         1.8942202562       10.7428311260       16.3923887196
  H         2.4987974160        9.0859390717       16.2422826502
  H         3.2073600775       12.4450329424       17.6269030287
  H         4.7757347306       13.0313278163       15.0701025411
  H         3.0269654577       13.0594942312       15.3031173255
  H         3.9868594065       15.3558355892       15.1938185242
  H         3.2199196884       15.0748127416       16.7541505073
  H         5.4950730082       16.1507074523       17.0555604615
  H         6.2333320606       14.7895125484       16.2286116459
  H         6.3264727299       14.5190314453       18.7445987457
  H         4.5683106080       14.6217912617       18.8000649412
  H         6.2649798631       12.4279751232       17.5173156196
  H         5.2205834775       12.2811948013       18.9232189114
  H         5.4719594635       10.1548262246       18.5596056897
  H         5.8228618830        8.1487216164       17.1523912498
  H         4.1260599692        7.7013878195       17.3113540747
  H         6.1134573629        7.9540726876       19.6318376517
  H         5.5079977239        6.4389375911       18.9691424720
  H         4.2324343644        7.0691038121       21.0450018225
  H         3.1736760716        7.0713148210       19.6366013679
  H         3.1747053215       10.8634355925       19.2489390437
  H         2.5072810645        9.3851924326       18.5643260856
  H         4.4788255002        9.5464236740       20.9042130149
  H         2.7655098228        9.1191867059       21.0007825518
  H         5.2632120792       10.0750811469       11.5842043049
  H         5.5688836990       12.0924332776       12.9962393644
  H         3.8587996797       12.4953693063       12.8316574016
  H         5.1402643315       13.8309814972       11.2127357365
  H         5.9343054940       12.3963792774       10.5780086268
  H         4.1411678077       13.0517230890        9.0222839294
  H         2.9612622855       13.1211062116       10.3241947605
  H         2.6371317799       11.0149178928        9.0885065667
  H         4.3475094321       10.5963326615        9.2711091936
  H         2.2928722570       10.8267665203       11.5404316985
  H         2.9697248865        9.3388319040       10.8968323400
  H         7.6505934408       12.2146626276       15.8512491550
  H         7.2236053239        7.7118106189       14.0547106800
  H         8.7690753295        8.0430767766       16.1531114621
  H        10.3156323525       10.2166704514       15.6514111255
  H        10.1933200432        9.2041944052       14.1734134515
  H         9.0510996634       11.6217399422       13.7084599740
  H         7.5155243614       10.0060446695       17.4031281129
  H         7.3996100837        9.9351082519       12.5127198941
 Rh        12.6623081389        9.7902612654        4.6986119775
  P        14.3059307232       10.0660677966        6.1654519251
  C        14.4392877787       11.8714486242        6.6666800315
  C        14.7333860228       12.8444766809        5.5070759652
  C        14.7626437817       14.3125445516        5.9824878129
  C        13.4996705509       14.7038390909        6.7566086589
  C        13.3072456624       13.7603696756        7.9458397905
  C        13.1923727671       12.3095037505        7.4574049824
  C        15.9714874386        9.6561718621        5.4323699916
  C        15.9568049794        9.8922545055        3.9124720095
  P        14.3081053960        9.4257638827        3.2032387581
  C        14.3751586400        7.6218090721        2.7058079977
  C        14.5674266488        6.6975570602        3.9268322758
  C        14.4400017238        5.2070036427        3.5645400524
  C        13.1046680029        4.9183364481        2.8722637870
  C        12.9905225347        5.7679958605        1.6043108374
  C        13.0935202575        7.2659743583        1.9199485805
  C        14.1290454344       10.3327126722        1.6068184469
  C        13.9464268145       11.8414215089        1.8490424368
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  C        13.7578523076        7.7190271613        7.6568861343
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  C        10.5316304863        9.9892680208        3.4610748660
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  H        15.5972483507       10.5898612124       -1.5247781966
  H        13.2950182394        9.7178315571        8.2436079807
  H        12.9140202934        7.6121211651        6.9658697314
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  H        12.5389655391        7.7379526674        9.4383028002
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  H        10.0923683515       10.1402885209        2.4676714479
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  H         9.1045567829       10.6065627856        6.4899939331
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  H         8.5098787617        8.1804660217        5.5243489587
  H         9.9930863163        7.8046822572        3.3224308102
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  H        11.6021402079        7.3570066851        5.3317000764
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  F         7.3493679565       10.8242830154       -0.2337212846
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  C         7.0323620038        8.8522737704        1.6953531616
  C         6.4496198381        7.8480232717        2.4610222552
  C         5.5206744342        8.1567196850        3.4684771533
  C         5.1404747579        9.4807924916        3.7573712774
  C         5.7162422637       10.4793664018        2.9410531318
  B         4.2359806874        9.8925431710        5.0703935034
  C         3.2229899867        8.7038521051        5.5700701868
  C         2.5715209905        7.8618350997        4.6559164243
  C         1.6527986269        6.8818180948        5.0598072835
  C         1.2957789583        6.7397047459        6.4029161444
  C         1.8982060445        7.6042478698        7.3264593738
  C         2.8513489522        8.5458565925        6.9185981222
  C         1.5854616943        7.5165919079        8.7949148240
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  F         2.6849068647        7.1596358761        9.5344085077
  F         1.1771612253        8.7243593789        9.3119803298
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  F         0.1932786893        5.0737736109        4.3300478125
  F         0.6514729053        6.7255278562        2.9278545649
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  C         5.9198944988        9.1846796098        6.9227745150
  C         6.8614011827        9.3820663379        7.9340930940
  C         7.3117048373       10.6684649660        8.2480356275
  C         6.8120777709       11.7413044572        7.4922137698
  C         5.8420568790       11.5263317747        6.5005670026
  C         7.3321281175       13.1429261352        7.6991643443
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  F         6.3540589888       14.0811013322        7.4854173663
  F         8.3398309268       13.4794159768        6.8171628604
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  F         7.4258802569        7.0985845292        7.7769501471
  F         6.2864561826        7.7328355668        9.5344228653
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  C         2.6190206723       11.2787397166        3.5329320188
  C         1.6677395942       12.2670312753        3.2881315700
  C         1.2835471840       13.1740447148        4.2763447980
  C         1.8530905702       13.0281840401        5.5400417175
  C         2.7826957875       12.0094605109        5.7981978530
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  F         1.8931187361       13.1553875628        1.0970077034
  F        -0.1560551149       12.9026704725        1.9028117066
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  F         7.4990003413        5.8842670966        3.2979301061
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  F         2.6780475833       14.5682082507        7.1190023908
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  H         3.1801738387       11.9113725154        6.8096395066
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  F        11.2161381054        9.0175881039       20.2244363337
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  C        11.4275140121       11.0381698370       18.1942989307
  C        11.8835868821       12.0116297853       17.3058198706
  C        12.7643048807       11.6816418858       16.2665527554
  C        13.2474203188       10.3740186418       16.0803807668
  C        12.7778868280        9.4065308207       16.9947098928
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  C        15.7763677841       12.0448078453       15.2294440514
  C        16.7058359052       13.0169502032       14.8393714820
  C        17.0856936650       13.1511656836       13.4989091584
  C        16.5032937688       12.2895251200       12.5619086667
  C        15.5598439350       11.3353312374       12.9598995285
  C        16.8419925932       12.3976915950       11.0980535129
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  F        15.7535982041       12.8163164324       10.3450206031
  F        17.2353211620       11.1918317565       10.5618369324
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  F        18.1483603614       14.8382722799       15.4059409831
  F        17.8389890604       13.2541265051       16.9348992100
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  C        12.4469341639       10.6721932916       12.8486223676
  C        11.4609791760       10.4133536175       11.8863488532
  C        11.0276260937        9.1099133991       11.6455785336
  C        11.6040304186        8.0759160105       12.3853777843
  C        12.5955589179        8.3351823417       13.3367485339
  C        11.0273549060        6.6982483142       12.2310979914
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  F        11.9237761479        5.6903473353       12.4656806838
  F        10.0056305449        6.4974603021       13.1320965350
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  F        10.6251525151       12.6599498171       11.7428731389
  F        11.7658278261       11.8889492897       10.0470535132
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  C        15.8631232691        8.5698982036       16.2879431688
  C        16.8109035689        7.5566872280       16.4652209220
  C        17.1123897448        6.6619543147       15.4355266269
  C        16.4856155073        6.8294653742       14.2087679783
  C        15.5677123572        7.8689372065       14.0153345584
  C        17.4852106903        7.2662278303       17.7719214584
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  F        16.7934952882        6.3137432606       18.4811923221
  F        18.7602116941        6.7888477656       17.5411883794
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  F        10.4807655042       13.7348412326       16.4314572230
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  F        17.3774001780        6.5266036613       12.0300247012
  F        15.6552312677        5.2712286802       12.6108111140
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  H        10.7238410950       11.2918582155       18.9818825309
  H        13.0766549892       12.4685163249       15.5806730111
  H        13.1044160546        8.3737450906       16.8919625139
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  H        15.1177234130       10.6944096425       12.1990753024
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  H        13.0119431920        7.4982819286       13.8915105345
  H        15.6419261291        9.2359381519       17.1203586803
  H        17.8143086473        5.8526290998       15.5930485042
  H        15.1247602144        7.9907543098       13.0257150039
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  F         3.3549266671       17.0868167660       18.6342491255
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  C         4.6901660059       20.0159817989       15.9751975718
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  F         3.9020352615       24.0247130813       17.3055231588
  F         1.9928573732       23.2938415850       16.4322656489
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  C         7.2774937408       18.2887709268       16.2228692047
  C         8.2434982863       17.3097747339       16.4686347552
  C         8.6347517148       16.4120692150       15.4747537380
  C         8.0514741316       16.5448097169       14.2150656605
  C         7.0982244522       17.5398705575       13.9630940784
  C         8.4235811254       15.5971991820       13.1144593263
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  F        10.0140215837       16.5640499256       17.8928953368
  F         7.9541758654       16.3792769085       18.6301168826
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  F         9.3807890388       23.0320753537       10.9264398738
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  F         7.6878389650       24.3578793778       16.5044450058
  F         9.2709430788       22.8897344986       17.0030076412
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  C         2.5679300021       18.7092394436       11.4902038262
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  C         3.9846466502       20.2940398247       12.6741997449
  C         2.4007048935       21.1135530019       10.8844291783
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  F         1.0917605935       21.3337970310       11.2594941325
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  F         3.4286253725       15.3137011477       12.3964374328
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  H         4.3065469656       21.3250762599       12.8084871556
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  C        15.4383589634       -0.7168581308        1.6726205850
  C        15.4679396147       -3.1193650024        2.3837725116
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  F        14.4479259111       -4.0422798242        2.4969191509
  F        16.4091462640       -3.4515691854        3.3554025878
  B        12.7968609115        0.2653136968        5.1719045714
  C        11.7334741814        1.4706969663        4.8577941277
  C        11.1220673978        1.5780145286        3.5919670301
  C        10.1452059106        2.5422756422        3.3229227781
  C         9.7292821278        3.4420107505        4.3093135921
  C        10.3108063546        3.3432168166        5.5703776826
  C        11.2865287827        2.3712223608        5.8404091825
  C         9.9388778904        4.3071648750        6.6585711276
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  F         9.1285186174        5.3311150241        6.2350804255
  F         9.3024806449        3.6791027315        7.7008646805
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  F         8.4041947627        3.3409682697        1.9050029181
  F        10.4677781189        3.4723146527        1.1680631201
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  C        11.2755634629       -1.8659324182        4.6034764384
  C        10.3024018199       -2.8171544556        4.9312646707
  C         9.8226517099       -2.9382456857        6.2385467233
  C        10.3438053590       -2.0756102941        7.2013231967
  C        11.3085128753       -1.1178683318        6.8684052143
  C         9.9452609028       -2.1891882634        8.6406327372
  F         9.5855537112       -0.9745220333        9.1687201674
  F         8.9068859548       -3.0504287853        8.8709025712
  F        11.0137673476       -2.6149027910        9.3939313722
  C         9.7545142974       -3.7008327822        3.8509890050
  F         8.8178781320       -4.5677345225        4.3255728503
  F        10.7202102422       -4.4538748467        3.2275409582
  F         9.1420721056       -2.9678467133        2.8566138139
  C        13.8579001281        0.6129786654        6.3690372379
  C        14.3484851341        1.9115511387        6.5844828030
  C        15.3234661216        2.1886779797        7.5541186335
  C        15.8555601313        1.1744920747        8.3459454502
  C        15.4108354600       -0.1317933210        8.1168382077
  C        14.4386905579       -0.4060314379        7.1509962890
  C        16.0237726487       -1.2302477717        8.9279063613
  F        16.0420432092       -0.8771785657       10.2657073633
  F        17.3294323123       -1.4920129419        8.5815538325
  F        15.3725173717       -2.4177443935        8.8056205804
  C        15.8743491522        3.5790010692        7.6469480689
  F        16.4721202086        3.8591532034        8.8479232360
  F        14.9152312109        4.5292778691        7.4127754960
  F        16.8259041415        3.7869611497        6.6728879964
  H        13.9780297079        1.9679804351        3.1852500433
  H        13.8993500597       -2.1765305883        4.3333155310
  H        16.0595576036       -0.9717644270        0.8183358146
  H        11.4161289090        0.8937056691        2.7966104123
  H         8.9874091347        4.2051977419        4.0933339502
  H        11.7115143550        2.3277213422        6.8419520865
  H        11.6232604196       -1.8171705763        3.5721112417
  H         9.0813673652       -3.6860625197        6.5009824692
  H        11.6785066051       -0.4594329196        7.6528655062
  H        13.9687787486        2.7352314058        5.9825292731
  H        16.5956750390        1.3932776754        9.1127266727
  H        14.1289688226       -1.4390326566        7.0049601999
  H        10.7983006833       11.7757698076        4.7855302013
  H        11.6331750460       10.0858469659        3.1581547881
     646
 i =       84, E =         0.0047549482
 Rh         3.6339554010        0.2350428178        4.8169374958
  P         5.3852033314        0.6383571250        6.2803225531
  C         5.2328715831       -0.2881145796        7.8741380340
  C         4.8213282176       -1.7577159265        7.6724121251
  C         4.5366225448       -2.4222336851        9.0295967802
  C         5.7217225679       -2.2910042680        9.9975672741
  C         6.1912210949       -0.8358075181       10.1417226619
  C         6.4713367771       -0.1819263020        8.7780171099
  C         5.6730708306        2.4039981780        6.7951282355
  C         4.6539772746        2.8127390580        7.8839158268
  C         4.6057313574        4.3249185251        8.1630034613
  C         4.5327061747        5.1515700855        6.8763255708
  C         5.7097872950        4.7973558040        5.9652475987
  C         5.6191638834        3.3225376468        5.5567516878
  C         6.9969351980        0.0912530122        5.5128728032
  C         6.9646586732        0.2296842864        3.9827816146
  P         5.3040316618       -0.2373905333        3.2844708780
  C         5.4452723364       -2.0257948224        2.7780494652
  C         4.3402155119       -2.4068449953        1.7725112441
  C         4.3756347865       -3.9028301135        1.4425440248
  C         4.2341758444       -4.7537327380        2.7062287039
  C         5.3564125700       -4.4291972900        3.6973126743
  C         5.3973862252       -2.9276153561        4.0331793774
  C         5.1527358741        0.7122813277        1.7028770956
  C         4.8816694666        2.2140009596        1.9194951349
  C         4.4335263779        2.8376920268        0.5870582762
  C         5.4827497218        2.6320455194       -0.5179301265
  C         5.9091621401        1.1598280364       -0.6524977553
  C         6.3089949854        0.5415272234        0.7010103531
  C         1.8747924210        0.3128295032        3.4680148153
  C         1.9023721545       -0.9409830167        4.0849516784
  C         1.0650034338       -0.8237898689        5.3711891573
  C         1.9282298776        0.1040330596        6.2523913151
  C         1.8979616980        1.3583352913        5.6413988519
  C         1.0172552664        1.2155552096        4.3829358691
  C        -0.0209666117        0.1796423147        4.8955268690
  H         4.3942277393        0.2218513503        8.3767558837
  H         5.6228220914       -2.3026307445        7.1520938826
  H         3.9349134987       -1.8121761452        7.0225525131
  H         4.2836832496       -3.4814949277        8.8806036835
  H         3.6464920945       -1.9517617988        9.4714345901
  H         5.4431712503       -2.6949455045       10.9816285657
  H         6.5579623238       -2.9067705365        9.6399023873
  H         7.0987701209       -0.7850650783       10.7613327289
  H         5.4149977418       -0.2519932185       10.6611112792
  H         6.7766414031        0.8632346423        8.9189154964
  H         7.3168441345       -0.6885719102        8.2953634013
  H         6.6896726572        2.4555917174        7.2177803823
  H         4.8902471257        2.2880255417        8.8195839908
  H         3.6516065965        2.4717692151        7.5896255776
  H         5.5010346060        4.6260757951        8.7254921444
  H         3.7455678190        4.5347349612        8.8151453378
  H         4.5194285543        6.2227558702        7.1185391299
  H         3.5921044283        4.9468106722        6.3434549643
  H         6.6535598045        4.9755277702        6.4994758473
  H         5.7353386417        5.4314891968        5.0702168688
  H         6.4258168950        3.0640241802        4.8554045220
  H         4.6729932609        3.1499030349        5.0179639099
  H         7.8338331102        0.6575409017        5.9461696778
  H         7.1407707818       -0.9596467782        5.8011194868
  H         7.7618767580       -0.3574194261        3.5046992337
  H         7.1218334823        1.2779935554        3.6918143306
  H         6.4237761842       -2.1475020757        2.2845042886
  H         4.4296475839       -1.8183999759        0.8502029444
  H         3.3554172865       -2.1648252880        2.1914012829
  H         5.3244982674       -4.1428484612        0.9406393128
  H         3.5744684985       -4.1327638602        0.7293135251
  H         4.2374859297       -5.8210430219        2.4457885935
  H         3.2559069370       -4.5613304475        3.1712117262
  H         5.2256826471       -4.9945979303        4.6325195012
  H         6.3216304753       -4.7425511514        3.2736010738
  H         6.2627409395       -2.7209172198        4.6790959951
  H         4.5031866270       -2.6592517716        4.6188631172
  H         4.2439173324        0.2824242422        1.2503520576
  H         5.8006824233        2.7093014786        2.2681646912
  H         4.1231118633        2.3661223922        2.7019775570
  H         4.2246508833        3.9084827051        0.7184372166
  H         3.4830417781        2.3718422855        0.2868419205
  H         6.3670267920        3.2477808240       -0.2981015875
  H         5.0867485095        2.9962657796       -1.4772976740
  H         6.7464110951        1.0730984731       -1.3607111693
  H         5.0766016028        0.5742948809       -1.0742050188
  H         7.1979248818        1.0546123671        1.0887131017
  H         6.5873103553       -0.5117493502        0.5690453163
  H         2.1156658054        0.5382690869        2.4328684167
  H         2.1747797431       -1.8911953465        3.6364202747
  H         0.7488722875       -1.7666223003        5.8238624109
  H         2.2108486053       -0.1179129345        7.2774818026
  H         2.1615687300        2.3112086980        6.0912526326
  H         0.6538605137        2.1465655463        3.9407305244
  H        -0.6402167230        0.5606437264        5.7139247139
  H        -0.6521683938       -0.2239876121        4.0976139940
 Rh        14.7185475513       19.6361094235       14.9709982647
  P        12.9458738226       19.2020442272       13.5252378419
  C        13.1159109735       20.1872752203       11.9632155298
  C        13.5012537299       21.6570788388       12.2116385183
  C        13.8464463920       22.3491630066       10.8825711156
  C        12.6915437067       22.2475118949        9.8764953284
  C        12.2630423602       20.7880435170        9.6653860618
  C        11.9293225984       20.0838676006       10.9935206678
  C        12.6474636021       17.4583495025       12.9391709859
  C        13.6570626419       17.0373133548       11.8493558644
  C        13.5878929217       15.5321908786       11.5465718975
  C        13.7880864203       14.7151406797       12.8256420799
  C        12.6814293422       15.0409146697       13.8328575577
  C        12.6727919719       16.5374521920       14.1790373126
  C        11.3240729683       19.6712816760       14.3427750008
  C        11.4142896532       19.6797531092       15.8813849788
  P        13.0944898151       20.1734423251       16.5207692072
  C        12.9431785245       21.9754606823       16.9624650336
  C        13.9868418410       22.4449391985       18.0002103737
  C        14.0041177781       23.9775237959       18.1629487467
  C        14.0791780480       24.7260926151       16.8275439405
  C        12.9395406502       24.2890985518       15.9059447358
  C        13.0466143587       22.7826862368       15.6516241251
  C        13.3254827531       19.2270634286       18.0982868411
  C        13.5826039712       17.7351137648       17.8070620045
  C        14.0389513224       17.0183878756       19.0852834104
  C        13.0036560349       17.1681875104       20.2109610791
  C        12.6190328427       18.6389633518       20.4531463253
  C        12.2213626527       19.3796096883       19.1584306974
  C        16.4371814042       19.6385030401       16.3552823039
  C        16.4602123704       20.8281823561       15.6191669737
  C        17.3280292766       20.5591217875       14.3743237288
  C        16.4563066467       19.5752787180       13.5624986137
  C        16.4287577789       18.3871765678       14.2938095188
  C        17.2847790042       18.6249424298       15.5558739985
  C        18.3701702380       19.5770942290       14.9791627078
  H        13.9862952474       19.7016053708       11.4896615678
  H        12.6655663566       22.1854502236       12.6933967752
  H        14.3513312612       21.7077276587       12.9091869733
  H        14.1098907694       23.4003340822       11.0635771301
  H        14.7445396846       21.8739182918       10.4604680476
  H        12.9864443746       22.6983548467        8.9174703135
  H        11.8339802783       22.8312125378       10.2395154744
  H        11.3912812930       20.7342772373        8.9967978624
  H        13.0812169112       20.2419276651        9.1698671301
  H        11.6627157893       19.0368402652       10.8020052898
  H        11.0445559563       20.5506209657       11.4446924960
  H        11.6373405293       17.4377083773       12.4976243756
  H        13.4701858096       17.6061609950       10.9282708056
  H        14.6802045242       17.2893109235       12.1645456326
  H        12.6098223947       15.2846542854       11.1080356152
  H        14.3428696273       15.2768247316       10.7893756590
  H        13.8108882425       13.6402798438       12.5991373136
  H        14.7691725630       14.9521552454       13.2648274350
  H        11.7099568036       14.7393764840       13.4174148817
  H        12.8165455568       14.4742839549       14.7640393800
  H        11.8124715526       16.7687598435       14.8258397006
  H        13.5726842209       16.7727653135       14.7694919586
  H        10.5426596824       18.9712430938       14.0125861208
  H        11.0371047142       20.6614093616       13.9630794332
  H        10.6420326123       20.3263727676       16.3221912687
  H        11.2422372943       18.6684675012       16.2755670821
  H        11.9351580542       22.1202503385       17.3834975710
  H        13.7788999124       21.9876959579       18.9782878972
  H        14.9901232273       22.1020867206       17.7122580636
  H        13.0961703308       24.2957679583       18.6944032580
  H        14.8529611673       24.2573009759       18.8015114172
  H        14.0496884970       25.8087282162       17.0087053875
  H        15.0423170229       24.5341014110       16.3322974718
  H        12.9644218318       24.8253565553       14.9475058112
  H        11.9701490999       24.5189907833       16.3705622805
  H        12.2837137527       22.4499087400       14.9349715249
  H        14.0198067078       22.5645942211       15.1821144825
  H        14.2541963611       19.6542456011       18.5132281354
  H        12.6554282817       17.2693254637       17.4396209161
  H        14.3286055887       17.6262862525       17.0042875288
  H        14.2211770315       15.9554872076       18.8702614676
  H        15.0045463841       17.4393587081       19.4038833098
  H        12.1047990360       16.5888203959       19.9546184190
  H        13.3951760128       16.7297671738       21.1403934594
  H        11.7871374418       18.6922761558       21.1712556121
  H        13.4693879997       19.1638159303       20.9164789150
  H        11.2804721054       18.9649970658       18.7727098877
  H        12.0307194115       20.4372806481       19.3796272776
  H        16.1778729571       19.5271731074       17.4040379075
  H        16.2021371831       21.8237224653       15.9705486468
  H        17.6877250871       21.4408233216       13.8385615161
  H        16.2000607734       19.7035416067       12.5148172264
  H        16.1327750887       17.4038613740       13.9379000113
  H        17.6014730057       17.7309597028       16.0983215575
  H        19.0053070112       19.1012763907       14.2237703349
  H        18.9876441582       20.0401903751       15.7577026549
 Rh         5.9775187681       10.0667354825       14.9868579298
  P         4.1688624177        9.5838884806       13.6201858874
  C         3.7603717974        7.8415786579       13.0977550630
  C         3.6711779079        6.8979575115       14.3183800674
  C         3.6510689693        5.4158730171       13.9064462516
  C         4.8605779443        5.0792242363       13.0319354741
  C         4.7848743714        5.8919290512       11.7395971999
  C         4.7851611589        7.3980957641       12.0337920369
  C         2.5920872151       10.2129106063       14.3836297933
  C         2.6626698080       10.1203590333       15.9120567815
  P         4.3487456042       10.6171727545       16.5247688572
  C         4.1411167777       12.3856483297       17.0445213201
  C         3.9862877787       13.2799024648       15.7942722996
  C         4.0716140847       14.7769380798       16.1243174589
  C         5.3791144253       15.0772626683       16.8610271286
  C         5.4140391373       14.2983483561       18.1772247298
  C         5.3217530224       12.7869464608       17.9516484483
  C         4.5928293483        9.6780429404       18.0942993053
  C         4.9543812064        8.2041963836       17.8293402827
  C         5.2370040612        7.4870022663       19.1563444502
  C         4.0288613012        7.5856311709       20.0991131132
  C         3.3968884511        9.8073650913       19.0496313714
  C         3.6570611470        9.0525694905       20.3620731058
  C         4.3749973345       10.5360090616       12.0478157289
  C         4.7044044043       12.0178143433       12.3141727881
  C         4.9895309501       12.7630280326       10.9995184302
  C         3.8565621840       12.5880499986        9.9766413077
  C         3.5028220664       11.1104333210        9.7580492491
  C         3.1929690698       10.3961060089       11.0823074830
  C         7.8291939155       11.1871211751       15.5464374493
  C         7.5901286610        8.6902210726       14.3513927301
  C         8.4962210592        8.9309298026       15.5771030509
  C         9.6287902533        9.7693001756       14.9226702674
  C         8.6421093403       10.7943750622       14.2958292723
  C         7.7474553142       10.0439230202       16.3433413272
  C         7.6799697320        9.8370694860       13.5577262809
  H         2.7630408598        7.8891322183       12.6302092886
  H         4.5308303323        7.0685860149       14.9844284469
  H         2.7702672683        7.1347561341       14.9048247747
  H         2.7328663627        5.1874377441       13.3483655090
  H         3.6249196555        4.7983761049       14.8113299097
  H         5.7889609816        5.3133603978       13.5752008460
  H         4.9049524726        4.0048891467       12.8066957357
  H         5.6244505772        5.6617326512       11.0696519278
  H         3.8692573300        5.6161699942       11.1972560723
  H         4.5831309198        7.9462014545       11.1076810926
  H         5.7964698114        7.6922097874       12.3498083928
  H         2.4796862422       11.2581728272       14.0647692701
  H         1.7291397709        9.6612366322       13.9847895028
  H         1.8933378103       10.7416738995       16.3919956733
  H         2.4988346059        9.0852298442       16.2416888801
  H         3.2079383684       12.4458337726       17.6272719660
  H         4.7773772500       13.0308988538       15.0707294984
  H         3.0285182640       13.0589321243       15.3021567615
  H         3.9876702715       15.3552721153       15.1929435134
  H         3.2199019562       15.0746738232       16.7529737814
  H         5.4937932496       16.1514679292       17.0560717061
  H         6.2337868402       14.7914012882       16.2289707513
  H         6.3261530893       14.5197633363       18.7446561030
  H         4.5679306302       14.6215226676       18.7997468424
  H         6.2656746252       12.4292227645       17.5155958885
  H         5.2228928695       12.2811074242       18.9224405171
  H         5.4711130497       10.1542167103       18.5602585731
  H         5.8213651901        8.1483749412       17.1529711619
  H         4.1246144118        7.7010537789       17.3120676604
  H         6.1130952276        7.9524154592       19.6317209749
  H         5.5063220398        6.4378971395       18.9689235439
  H         4.2332961529        7.0686271943       21.0462434559
  H         3.1731541251        7.0701851217       19.6389575761
  H         3.1752689775       10.8633644349       19.2514951431
  H         2.5060595657        9.3860521004       18.5666559245
  H         4.4787775308        9.5454391349       20.9057682719
  H         2.7655851560        9.1181397892       21.0024712976
  H         5.2623073126       10.0752868176       11.5827482771
  H         5.5679948254       12.0924775387       12.9958093815
  H         3.8583685080       12.4962327733       12.8294054294
  H         5.1435170158       13.8304929970       11.2112337406
  H         5.9347545059       12.3941234173       10.5766747570
  H         4.1412260939       13.0536154376        9.0217664029
  H         2.9624328490       13.1224368830       10.3245691240
  H         2.6369734120       11.0172096479        9.0869838066
  H         4.3471577686       10.5975870426        9.2695627780
  H         2.2925728305       10.8290117372       11.5387818166
  H         2.9679607379        9.3404570690       10.8953389463
  H         7.6476787819       12.2144531877       15.8509488788
  H         7.2234189270        7.7114832466       14.0545189039
  H         8.7680282701        8.0431603113       16.1533803554
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 Rh        12.6622111199        9.7913379890        4.6982897613
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  H        15.3491661418        8.9926826359        0.3813225306
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  H        13.8926097874       10.3078641503       -1.1547853417
  H        15.5985208727       10.5906981644       -1.5239763376
  H        13.2944027715        9.7162356110        8.2438835785
  H        12.9145229096        7.6102734876        6.9660758523
  H        14.5925391452        7.1410107929        7.2314643836
  H        13.0589602796        6.1215482975        8.9643501561
  H        12.5390036799        7.7349501705        9.4376451936
  H        14.3099814815        6.9136383768       10.9997607821
  H        15.4053936418        6.6566186455        9.6485629400
  H        15.9599963483        8.8163993244       10.7321852777
  H        14.2780368182        9.3478834160       10.5936482339
  H        16.2351553230        8.8740519342        8.2791464515
  H        15.6245000429       10.4221296512        8.8480343819
  H        10.0883526149       10.1379389983        2.4677368977
  H        11.2014351588        9.2827662121        7.1856348340
  H         9.1033165267       10.6087725175        6.4885488202
  H         8.0472761503        9.4036072747        4.3035259098
  H         8.5113924045        8.1806664054        5.5270858824
  H         9.9939082512        7.8032079569        3.3250847961
  H         9.1670973894       11.5820111212        4.1316490718
  H        11.6036723708        7.3595190554        5.3344927681
  F         8.5043522824       11.5989852178        1.4660118569
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  F         6.4851557593       12.3768934642        1.0309671856
  F         7.3491307034       10.8240281147       -0.2341976471
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  C         7.0305248146        8.8520833876        1.6939166470
  C         6.4492361046        7.8479260435        2.4610047144
  C         5.5215404842        8.1568891050        3.4695185953
  C         5.1410888861        9.4809176563        3.7579895109
  C         5.7168905562       10.4795121122        2.9418000115
  B         4.2366442802        9.8921873883        5.0703916334
  C         3.2221450470        8.7038333495        5.5705077527
  C         2.5722845760        7.8614595709        4.6559139600
  C         1.6532713868        6.8821597536        5.0598307172
  C         1.2955111491        6.7399236206        6.4026340492
  C         1.8975747583        7.6044588358        7.3261777551
  C         2.8500280931        8.5467855659        6.9187762477
  C         1.5844795896        7.5148894791        8.7948496186
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  F         2.6851882483        7.1594352449        9.5348283333
  F         1.1768215522        8.7227858143        9.3119468977
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  F         0.1932833950        5.0737331783        4.3300950244
  F         0.6514152653        6.7257209690        2.9276856458
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  C         5.9191314341        9.1852506732        6.9237651467
  C         6.8612881906        9.3831391525        7.9343811282
  C         7.3118337216       10.6690957967        8.2482234505
  C         6.8120943104       11.7401461722        7.4917896260
  C         5.8427234274       11.5265860720        6.4998111738
  C         7.3321555517       13.1420596228        7.6993671428
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  F         6.3553941520       14.0820195786        7.4846822314
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  F         7.4259180369        7.0984154161        7.7767736381
  F         6.2865904614        7.7326856166        9.5344606005
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  C         2.6200996764       11.2786590611        3.5327531625
  C         1.6678548222       12.2671899563        3.2888332106
  C         1.2837353708       13.1730823974        4.2772056561
  C         1.8537828376       13.0274687623        5.5393100829
  C         2.7842488417       12.0100163970        5.7985541476
  C         1.1072069236       12.3798782498        1.9149520853
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  F         1.8939890527       13.1561498155        1.0969068330
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  F         7.4990031892        5.8844034232        3.2981427219
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  H         3.1816186401       11.9132254772        6.8078952200
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  F        11.2166759418        9.0172920999       20.2235800805
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  C        11.4282954511       11.0381465643       18.1945140145
  C        11.8841958455       12.0117304633       17.3057424841
  C        12.7649330146       11.6817872786       16.2666700155
  C        13.2473470375       10.3741758975       16.0802800116
  C        12.7774473867        9.4063422748       16.9935739524
  B        14.1585122654        9.9807212198       14.7705685404
  C        15.1633511559       11.1858518777       14.3019966076
  C        15.7755175366       12.0457158875       15.2290636378
  C        16.7055293804       13.0174414092       14.8393849840
  C        17.0857787009       13.1514125296       13.4990327189
  C        16.5036681976       12.2894661211       12.5615793437
  C        15.5604688259       11.3350423282       12.9597654475
  C        16.8407110689       12.3985605159       11.0969059092
  F        17.8574409638       13.2703203379       10.8530796573
  F        15.7544510156       12.8158250366       10.3463518867
  F        17.2357051083       11.1907591369       10.5619103904
  C        17.2399306751       13.9413176850       15.8974893256
  F        16.2463321404       14.6721773451       16.4974262076
  F        18.1482226023       14.8384096812       15.4060482558
  F        17.8389532797       13.2540981685       16.9348958410
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  C        12.4472347285       10.6727775679       12.8486732325
  C        11.4613176595       10.4133597013       11.8860434655
  C        11.0284942763        9.1090563156       11.6444275390
  C        11.6023120643        8.0737097696       12.3843115805
  C        12.5933877592        8.3358776075       13.3366446260
  C        11.0278165751        6.6992044047       12.2313492599
  F        10.4976666098        6.4945481183       10.9951000437
  F        11.9221174330        5.6916357649       12.4647898653
  F        10.0067600018        6.4973969716       13.1306556770
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  F         9.7390194674       11.1772250833       10.4119871365
  F        10.6230396290       12.6621451300       11.7455325820
  F        11.7663802606       11.8857069207       10.0471653514
  C        15.1984033556        8.7428742170       15.0514190617
  C        15.8630714047        8.5691682994       16.2877382929
  C        16.8108948197        7.5569550930       16.4659291933
  C        17.1120271518        6.6628083081       15.4349515488
  C        16.4834211084        6.8315832710       14.2086649418
  C        15.5666422030        7.8691788053       14.0137967039
  C        17.4848242556        7.2662058062       17.7711948445
  F        17.6137345141        8.3286768146       18.6224377332
  F        16.7942112651        6.3144544015       18.4811188675
  F        18.7596887243        6.7892153447       17.5413803475
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  F        10.7856944506       13.6680980404       18.6258152211
  F        10.4805802464       13.7343581297       16.4312569628
  F        12.4021946999       14.3397622508       17.3057379650
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  F        17.3765261768        6.5266942559       12.0279653407
  F        15.6572393798        5.2683887741       12.6114512022
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  H        10.7250667570       11.2920640253       18.9829179528
  H        13.0777080742       12.4686894709       15.5814721452
  H        13.1026568906        8.3732974961       16.8901013396
  H        15.5189482898       11.9634199582       16.2843828982
  H        17.7969096427       13.9132642585       13.1946695812
  H        15.1191871545       10.6933518636       12.1988480103
  H        12.7464393666       11.7057511843       13.0212241732
  H        10.2451351638        8.9047326323       10.9214207134
  H        13.0102232935        7.4979078832       13.8949563828
  H        15.6408876857        9.2358534377       17.1209303728
  H        17.8156452253        5.8521768205       15.5929904685
  H        15.1253198636        7.9900118884       13.0275945601
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  F         3.3610124314       17.0875358153       18.6307385837
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  C         4.1854064060       19.0334433156       16.8444743457
  C         4.6923878285       20.0187781920       15.9715485161
  C         4.2673217746       21.3357754024       16.2174732215
  C         3.4415828740       21.6643533120       17.3005892622
  C         2.9815201438       20.6815826346       18.1734135376
  C         2.9240930932       23.0647765339       17.4353829276
  F         2.2996280786       23.2918359781       18.6246090622
  F         3.9026482202       24.0241877057       17.3049174692
  F         1.9931182313       23.2929592344       16.4320052796
  B         5.6126963647       19.6412958126       14.6706940929
  C         6.6598611145       18.4213773662       14.9666257334
  C         7.2765532162       18.2884367451       16.2228233601
  C         8.2432564666       17.3097464423       16.4683854561
  C         8.6349100239       16.4126048312       15.4745299441
  C         8.0511998565       16.5447603753       14.2153418924
  C         7.0972115382       17.5390752135       13.9630066418
  C         8.4236631809       15.5970801313       13.1142941761
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  F         9.2156888365       14.5690845214       13.5621466231
  F         9.1083213487       16.2278499651       12.1006024170
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  F         8.9099259327       18.3675863714       18.4840646542
  F        10.0143976729       16.5638596305       17.8927480551
  F         7.9536737341       16.3792619684       18.6303824196
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  C         7.2036981027       21.7092541924       15.2290643900
  C         8.1649545416       22.6675815081       14.8894593137
  C         8.6018302277       22.8129951316       13.5692144525
  C         8.0428932973       21.9741527769       12.6046735423
  C         7.0832472608       21.0173489453       12.9484934160
  C         8.4053194853       22.1120062551       11.1583536827
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  F         9.3806521970       23.0320625017       10.9269481682
  F         7.3250781905       22.5146665451       10.4087139283
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  F         7.6877838213       24.3578044362       16.5045574496
  F         9.2706606837       22.8897847858       17.0029303514
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  C         4.0552299890       17.9788683257       13.2699512774
  C         3.0872430911       17.6941529123       12.2951924735
  C         2.5674583741       18.7094842240       11.4909964512
  C         3.0230394038       20.0172535637       11.6987628631
  C         3.9839721519       20.2943132960       12.6743309798
  C         2.4015403641       21.1142549457       10.8854316207
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  F         1.0912286485       21.3338566488       11.2599854494
  F         3.0361940819       22.3165732376       10.9979014392
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  F         1.9326178867       16.0520733509       10.9846383749
  F         3.4284975507       15.3139300524       12.3967514843
  F         1.5229608957       16.1212836012       13.1303869860
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  H         4.5815174194       22.1308192162       15.5436337142
  H         2.3361806797       20.9348001597       19.0093254857
  H         7.0000400731       18.9638059723       17.0307960467
  H         9.3587516616       15.6305219811       15.6812426033
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  H         6.8944732877       21.6323002663       16.2704250536
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  H         6.6788576696       20.3819139096       12.1622096658
  H         4.4317469198       17.1605662581       13.8818663961
  H         1.8220648811       18.4885519217       10.7304615167
  H         4.3057355875       21.3253687906       12.8089759445
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  F        15.0493457765        2.8843802240        1.1024995873
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  C        14.2412084925        0.9257314353        3.0098598819
  C        13.7466475939       -0.0699799284        3.8814168103
  C        14.1921091552       -1.3812072748        3.6482923052
  C        15.0053377091       -1.7042982914        2.5577762102
  C        15.4395995305       -0.7166029457        1.6730573688
  C        15.4680051331       -3.1200018769        2.3843514006
  F        16.0484987814       -3.3175778776        1.1715990805
  F        14.4480997409       -4.0417172138        2.4966875596
  F        16.4088528202       -3.4509910535        3.3550670856
  B        12.7968747010        0.2658050699        5.1712350869
  C        11.7331188121        1.4718363510        4.8566003054
  C        11.1222459739        1.5791626754        3.5912834390
  C        10.1457858304        2.5431010941        3.3236446752
  C         9.7289761724        3.4430709258        4.3085839019
  C        10.3109307860        3.3434474569        5.5692322636
  C        11.2864917916        2.3719628163        5.8396818755
  C         9.9391512856        4.3073229271        6.6586700141
  F        11.0576240594        4.8858198752        7.1936692512
  F         9.1282726918        5.3315379232        6.2348476965
  F         9.3022643542        3.6790233930        7.7012335432
  C         9.6227185131        2.7134438682        1.9318421522
  F         9.4969354295        1.5333187008        1.2494151566
  F         8.4044021044        3.3400782211        1.9039714694
  F        10.4708146487        3.4745435803        1.1641787796
  C        11.8049133855       -0.9801411396        5.5605018251
  C        11.2740441485       -1.8643378979        4.6027108173
  C        10.3019647130       -2.8162497433        4.9310001590
  C         9.8225129718       -2.9378034515        6.2382962950
  C        10.3435912074       -2.0751989168        7.2011832751
  C        11.3080666324       -1.1172987499        6.8680976105
  C         9.9455397061       -2.1887950867        8.6407225416
  F         9.5859156415       -0.9744047238        9.1686181449
  F         8.9066522766       -3.0508768988        8.8706662528
  F        11.0136700566       -2.6147561741        9.3936809430
  C         9.7543767011       -3.7005099572        3.8509534657
  F         8.8178338468       -4.5678636869        4.3254452055
  F        10.7202240611       -4.4537838622        3.2276743948
  F         9.1421045209       -2.9679372936        2.8562864447
  C        13.8574681829        0.6131010495        6.3683751007
  C        14.3484359938        1.9116342690        6.5842386905
  C        15.3234236271        2.1885926218        7.5531428377
  C        15.8567793308        1.1743766605        8.3448454764
  C        15.4106562142       -0.1317802556        8.1158321813
  C        14.4382216252       -0.4056671011        7.1508598297
  C        16.0239135972       -1.2302000887        8.9278136739
  F        16.0420707005       -0.8769565492       10.2655758413
  F        17.3295313091       -1.4918037061        8.5812900594
  F        15.3722127645       -2.4180503070        8.8053633040
  C        15.8743496871        3.5789927055        7.6466630332
  F        16.4720397817        3.8590770522        8.8472612898
  F        14.9152131586        4.5293310005        7.4126041791
  F        16.8261012397        3.7873103569        6.6724913657
  H        13.9762452068        1.9679559480        3.1836786993
  H        13.8971721574       -2.1769272305        4.3318187215
  H        16.0622004703       -0.9711401631        0.8201131336
  H        11.4164144968        0.8953194686        2.7957866649
  H         8.9879416070        4.2058985755        4.0932295609
  H        11.7117690358        2.3281152364        6.8418411628
  H        11.6205216112       -1.8144886496        3.5713781867
  H         9.0813715089       -3.6858009083        6.5009180514
  H        11.6785267647       -0.4589081658        7.6527087828
  H        13.9682079886        2.7357864866        5.9822410877
  H        16.5974771291        1.3928314326        9.1097596725
  H        14.1274483558       -1.4387213178        7.0051769332
  H        10.7994218302       11.7745785598        4.7840290212
  H        11.6305900160       10.0846604101        3.1562269623
     646
 i =       85, E =         0.0085753965
 Rh         3.6346232646        0.2353716235        4.8170337333
  P         5.3852563462        0.6383918583        6.2806579463
  C         5.2322219016       -0.2892531698        7.8738849471
  C         4.8222144316       -1.7593773457        7.6721275582
  C         4.5367056933       -2.4231024744        9.0293003154
  C         5.7217800040       -2.2926274078        9.9971283223
  C         6.1908833989       -0.8373736169       10.1414744564
  C         6.4703610118       -0.1829138183        8.7781101223
  C         5.6728665893        2.4042151376        6.7958333328
  C         4.6528982398        2.8133617007        7.8835066791
  C         4.6067244666        4.3254000592        8.1633342761
  C         4.5332544089        5.1525019208        6.8770397733
  C         5.7088402639        4.7979955210        5.9642509905
  C         5.6199135105        3.3225965768        5.5572091958
  C         6.9970143495        0.0912307006        5.5134300422
  C         6.9652657597        0.2294687577        3.9833761323
  P         5.3043124215       -0.2373135332        3.2851680538
  C         5.4465407643       -2.0256192791        2.7788160673
  C         4.3428807941       -2.4065018103        1.7720423687
  C         4.3758293930       -3.9024742184        1.4434006523
  C         4.2348028416       -4.7532356359        2.7074590004
  C         5.3575837684       -4.4288977300        3.6978839003
  C         5.3981015272       -2.9274675406        4.0342080332
  C         5.1509598351        0.7118444259        1.7033684730
  C         4.8794433684        2.2134965751        1.9197364356
  C         4.4334783577        2.8380102355        0.5870361700
  C         5.4835649710        2.6324577671       -0.5168835492
  C         5.9083942616        1.1599103119       -0.6521738701
  C         6.3065058576        0.5400428069        0.7011041302
  C         1.8752562307        0.3131302746        3.4683313777
  C         1.9027828914       -0.9404312788        4.0856618912
  C         1.0657031878       -0.8225067984        5.3721935964
  C         1.9294763618        0.1054063259        6.2528962281
  C         1.8993823756        1.3595421230        5.6413193411
  C         1.0182250180        1.2164689265        4.3832007571
  C        -0.0197994022        0.1808333169        4.8959468307
  H         4.3929845766        0.2198032573        8.3762088862
  H         5.6251682066       -2.3038633073        7.1533381145
  H         3.9367280567       -1.8154517291        7.0208278193
  H         4.2821595034       -3.4822933425        8.8809525341
  H         3.6470105049       -1.9512724904        9.4711179172
  H         5.4433848631       -2.6968446346       10.9812680382
  H         6.5579248262       -2.9084037438        9.6392731954
  H         7.0986054312       -0.7862411235       10.7610150918
  H         5.4143991470       -0.2541256241       10.6612625864
  H         6.7753807272        0.8624004622        8.9192129362
  H         7.3160659644       -0.6891185038        8.2949799342
  H         6.6890357167        2.4558279511        7.2195195801
  H         4.8869105455        2.2875241551        8.8191644346
  H         3.6503202816        2.4742175907        7.5875321872
  H         5.5029279703        4.6252221123        8.7251050697
  H         3.7473865947        4.5360856694        8.8163725934
  H         4.5215038085        6.2236877513        7.1197653203
  H         3.5915689649        4.9492382225        6.3453416691
  H         6.6534724172        4.9785656979        6.4960311855
  H         5.7313544445        5.4307724980        5.0680872487
  H         6.4279458130        3.0646016533        4.8571647329
  H         4.6747479033        3.1487318494        5.0169530311
  H         7.8341078933        0.6571363473        5.9471345690
  H         7.1403851483       -0.9597769349        5.8018272352
  H         7.7620911500       -0.3586316001        3.5057983534
  H         7.1236118547        1.2775766537        3.6921134268
  H         6.4252975256       -2.1472092644        2.2866309014
  H         4.4358040295       -1.8193317754        0.8489258671
  H         3.3569917012       -2.1609285820        2.1880654779
  H         5.3237525559       -4.1438714075        0.9408303897
  H         3.5736107200       -4.1320412824        0.7310725700
  H         4.2380626470       -5.8205212440        2.4467574190
  H         3.2568676673       -4.5610035819        3.1731333252
  H         5.2278402438       -4.9947446556        4.6328576271
  H         6.3227671332       -4.7415839137        3.2733215822
  H         6.2633045630       -2.7206243533        4.6801876744
  H         4.5037809081       -2.6594854466        4.6198274936
  H         4.2416118543        0.2813693192        1.2521303206
  H         5.7975585548        2.7087825636        2.2704958846
  H         4.1192658850        2.3650253606        2.7009038894
  H         4.2250128113        3.9089587011        0.7188880409
  H         3.4828546624        2.3730904881        0.2852224664
  H         6.3682771043        3.2472101140       -0.2957999051
  H         5.0889158758        2.9978060473       -1.4765044282
  H         6.7463024700        1.0726139955       -1.3596184653
  H         5.0755432274        0.5758017137       -1.0751468612
  H         7.1965774900        1.0507548345        1.0893297081
  H         6.5823687636       -0.5137823372        0.5683890119
  H         2.1152337662        0.5379646984        2.4328269167
  H         2.1745697444       -1.8908928188        3.6371723638
  H         0.7495644794       -1.7650020990        5.8255128022
  H         2.2133404868       -0.1165316363        7.2775542505
  H         2.1644987844        2.3124276302        6.0901013386
  H         0.6551519393        2.1475427619        3.9409197904
  H        -0.6401563740        0.5620170485        5.7138007262
  H        -0.6506064349       -0.2232619111        4.0975516496
 Rh        14.7185236834       19.6360527667       14.9715705302
  P        12.9466275340       19.2023210513       13.5255389854
  C        13.1171852581       20.1873796979       11.9632399209
  C        13.5015605474       21.6573893806       12.2113267074
  C        13.8465947117       22.3496595912       10.8826804226
  C        12.6916686271       22.2479765363        9.8767844128
  C        12.2625576907       20.7887771209        9.6660257946
  C        11.9300110302       20.0843186453       10.9941907840
  C        12.6485333412       17.4580008599       12.9410067671
  C        13.6581152873       17.0372316087       11.8511575349
  C        13.5889339378       15.5323666733       11.5473372498
  C        13.7878111497       14.7141312437       12.8257602985
  C        12.6815720502       15.0403858313       13.8331809693
  C        12.6742849659       16.5366753494       14.1806660397
  C        11.3249818101       19.6730887619       14.3417691559
  C        11.4138734209       19.6792915863       15.8801319309
  P        13.0937600906       20.1731188422       16.5201664272
  C        12.9417384253       21.9749619361       16.9620238175
  C        13.9868110460       22.4432953734       17.9986230020
  C        14.0033497745       23.9754005723       18.1636276932
  C        14.0796691902       24.7248592974       16.8288618534
  C        12.9401647110       24.2897668210       15.9061552199
  C        13.0434407638       22.7830595823       15.6514839393
  C        13.3259774650       19.2270066531       18.0975963887
  C        13.5840044669       17.7350768525       17.8070548707
  C        14.0388332187       17.0184822012       19.0859999856
  C        13.0024522915       17.1688764246       20.2104744601
  C        12.6195971031       18.6399032887       20.4526267171
  C        12.2220865739       19.3799273463       19.1577495703
  C        16.4379689428       19.6376205481       16.3555749808
  C        16.4605883434       20.8277825908       15.6197855202
  C        17.3275259783       20.5589566392       14.3742130244
  C        16.4552891072       19.5756023245       13.5624323732
  C        16.4281040346       18.3869495116       14.2934840522
  C        17.2849613167       18.6244003629       15.5550339167
  C        18.3698525768       19.5768250267       14.9782232372
  H        13.9875412727       19.7020136864       11.4893914455
  H        12.6649177660       22.1852514753       12.6926780145
  H        14.3512185647       21.7092484663       12.9098001707
  H        14.1095825568       23.4011962997       11.0638975659
  H        14.7450782726       21.8752128135       10.4604113948
  H        12.9864013271       22.6986436877        8.9174457775
  H        11.8343390370       22.8321543511       10.2398281217
  H        11.3898747757       20.7354283824        8.9983659470
  H        13.0799497640       20.2424080161        9.1692248941
  H        11.6627566407       19.0373430445       10.8027996211
  H        11.0458416771       20.5513527855       11.4463728946
  H        11.6383381200       17.4368388316       12.4998301203
  H        13.4712889193       17.6066706909       10.9303675900
  H        14.6812887160       17.2891395818       12.1665329750
  H        12.6112514473       15.2854197037       11.1077175560
  H        14.3445956454       15.2775211421       10.7905813187
  H        13.8090947638       13.6393643321       12.5981848672
  H        14.7693240253       14.9491325600       13.2653216062
  H        11.7097773695       14.7403140082       13.4173915250
  H        12.8158806788       14.4725906698       14.7638209973
  H        11.8144180283       16.7678924039       14.8281423105
  H        13.5745965564       16.7710425849       14.7709569865
  H        10.5421320635       18.9753262228       14.0092859719
  H        11.0406516986       20.6646221192       13.9631771628
  H        10.6411701856       20.3252747915       16.3214058920
  H        11.2416270393       18.6673175295       16.2730113130
  H        11.9342746455       22.1193499936       17.3845894233
  H        13.7810906572       21.9839982288       18.9762612672
  H        14.9898025713       22.1016099302       17.7080610620
  H        13.0947096639       24.2926054938       18.6945099228
  H        14.8514610301       24.2547058340       18.8033279457
  H        14.0509905962       25.8074163080       17.0107047316
  H        15.0431165735       24.5323488112       16.3342302846
  H        12.9677298582       24.8256922517       14.9475239767
  H        11.9708166368       24.5223324006       16.3693736464
  H        12.2775451899       22.4526100752       14.9368113608
  H        14.0147579534       22.5628583542       15.1790103954
  H        14.2548134367       19.6548818278       18.5118527368
  H        12.6575354143       17.2688332399       17.4383934800
  H        14.3311759579       17.6263420476       17.0053663047
  H        14.2209389613       15.9554601320       18.8712400307
  H        15.0042111033       17.4390883910       19.4056506274
  H        12.1029539446       16.5909714718       19.9525642656
  H        13.3920845461       16.7291460337       21.1402090902
  H        11.7880026344       18.6945707259       21.1711525312
  H        13.4707937754       19.1640831940       20.9153870535
  H        11.2812824287       18.9649314863       18.7721222336
  H        12.0312673041       20.4378156649       19.3781645119
  H        16.1798132511       19.5261085311       17.4044033009
  H        16.2031627151       21.8230023504       15.9718765331
  H        17.6867803662       21.4408705436       13.8384859882
  H        16.1977371990       19.7044140803       12.5153160623
  H        16.1312568223       17.4040637724       13.9377086326
  H        17.6019158856       17.7300621563       16.0968185792
  H        19.0052056012       19.1014529039       14.2225714150
  H        18.9873785959       20.0398519875       15.7569341526
 Rh         5.9764229741       10.0662718929       14.9867154362
  P         4.1684876600        9.5845874959       13.6188911122
  C         3.7626199966        7.8417553885       13.0969584429
  C         3.6738529447        6.8992339454       14.3183461763
  C         3.6522382472        5.4169483674       13.9072878265
  C         4.8608775696        5.0786874584       13.0321872332
  C         4.7860695748        5.8917877979       11.7400807422
  C         4.7885980126        7.3979554392       12.0345027112
  C         2.5916604801       10.2125277077       14.3831731760
  C         2.6621763753       10.1197449059       15.9115820405
  P         4.3479046726       10.6166953428       16.5253524380
  C         4.1416131536       12.3856576063       17.0445744271
  C         3.9875378890       13.2795922973       15.7940710629
  C         4.0721773860       14.7767608025       16.1235391679
  C         5.3789322808       15.0781101301       16.8610907442
  C         5.4140020710       14.2987365847       18.1769135803
  C         5.3228195792       12.7873396361       17.9508222843
  C         4.5915136375        9.6775663458       18.0953700133
  C         4.9526597432        8.2036424927       17.8301982185
  C         5.2357753887        7.4858730926       19.1567363175
  C         4.0286187458        7.5847288346       20.1006703152
  C         3.3963738305        9.8072233369       19.0517702876
  C         3.6569559614        9.0516577036       20.3637928484
  C         4.3740871021       10.5367080196       12.0463142805
  C         4.7041867141       12.0183130149       12.3126737484
  C         4.9909586925       12.7627381690       10.9980452631
  C         3.8573158872       12.5895719907        9.9757698641
  C         3.5025868739       11.1123324868        9.7564292803
  C         3.1921139938       10.3978681714       11.0805378361
  C         7.8269174546       11.1863819536       15.5467089674
  C         7.5894571079        8.6904785550       14.3513203514
  C         8.4949210606        8.9309674945       15.5775574984
  C         9.6273249967        9.7699833264       14.9236109151
  C         8.6405462560       10.7947054042       14.2962670573
  C         7.7454599889       10.0439698052       16.3430491286
  C         7.6790984761        9.8367313368       13.5580791211
  H         2.7655587594        7.8873922622       12.6282349992
  H         4.5343460595        7.0699312334       14.9832377217
  H         2.7737302195        7.1370577453       14.9055311410
  H         2.7334726474        5.1892057748       13.3498709707
  H         3.6260387173        4.7999500109       14.8125186213
  H         5.7898819036        5.3110309471       13.5751920737
  H         4.9033619181        4.0043034694       12.8066581526
  H         5.6248612593        5.6600689504       11.0695950998
  H         3.8695858442        5.6177683830       11.1981587208
  H         4.5887147338        7.9466755838       11.1082620174
  H         5.7998241628        7.6904345590       12.3521620178
  H         2.4788389736       11.2579035128       14.0644833488
  H         1.7287050441        9.6607513218       13.9841964732
  H         1.8921910762       10.7403745407       16.3915481514
  H         2.4988449264        9.0843929355       16.2409762321
  H         3.2086653873       12.4468528960       17.6276658714
  H         4.7795073187       13.0303578783       15.0713202186
  H         3.0303278903       13.0582446354       15.3008867744
  H         3.9886868744       15.3546610081       15.1917927600
  H         3.2199550099       15.0744655488       16.7514119000
  H         5.4922524010       16.1524489379       17.0566791200
  H         6.2344302412       14.7937076624       16.2293592940
  H         6.3258188456       14.5206818921       18.7447471514
  H         4.5674885554       14.6211768141       18.7993748930
  H         6.2666012955       12.4307359020       17.5134792308
  H         5.2256981981       12.2809495318       18.9215542858
  H         5.4700977565       10.1534843870       18.5610162296
  H         5.8195330594        8.1479259306       17.1535941196
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  C         7.0283430703        8.8519441008        1.6921855218
  C         6.4488496754        7.8478578214        2.4608938918
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  C         5.7177064479       10.4797522389        2.9426505313
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  F         7.4989243489        5.8844594068        3.2981002192
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  F        11.2167225187        9.0173275790       20.2235345298
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  C        13.2473384938       10.3740878459       16.0800391061
  C        12.7765591971        9.4061655742       16.9926315136
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  C        15.7745016723       12.0467583385       15.2287386128
  C        16.7051886546       13.0178762033       14.8391138666
  C        17.0858832732       13.1515676782       13.4988854782
  C        16.5040492087       12.2895107867       12.5612296550
  C        15.5612585227       11.3347152368       12.9597368572
  C        16.8410821883       12.3983973562       11.0971750861
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  F        15.7543389617       12.8159640264       10.3461260785
  F        17.2356075102       11.1910077489       10.5618542819
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  F        18.1482226273       14.8384851355       15.4060401010
  F        17.8388869295       13.2541130877       16.9347622797
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  C        12.4473373884       10.6728098334       12.8484696567
  C        11.4618591866       10.4126826455       11.8857571848
  C        11.0295299003        9.1086454653       11.6430804895
  C        11.6025935617        8.0746558399       12.3844582799
  C        12.5923633280        8.3364191674       13.3381438623
  C        11.0275991319        6.6991899845       12.2313074915
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  F        11.9227980135        5.6911333882       12.4652717481
  F        10.0064612362        6.4975235630       13.1311736176
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  F        10.6230409405       12.6610058272       11.7452836676
  F        11.7675665668       11.8854326748       10.0451159281
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  C        15.8625039257        8.5688846589       16.2874213702
  C        16.8108504584        7.5568165699       16.4657104581
  C        17.1121752015        6.6631221919       15.4345125902
  C        16.4832217246        6.8316360874       14.2087136290
  C        15.5662454433        7.8690148188       14.0134248484
  C        17.4848195515        7.2663996054       17.7711132808
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  F        16.7941023704        6.3143263361       18.4811735544
  F        18.7594855226        6.7892563249       17.5413153548
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  F        10.4806746311       13.7343432619       16.4313889196
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  F        17.3757629877        6.5266370099       12.0278277115
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  H        10.7266437379       11.2922833959       18.9840196228
  H        13.0789736760       12.4689610542       15.5823398131
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  H        17.8161249291        5.8528686903       15.5924764236
  H        15.1247602515        7.9894794404       13.0274224585
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  F         3.3632219397       17.0876347533       18.6298798266
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  C         4.1854827338       19.0337414270       16.8437953328
  C         4.6926616352       20.0196599624       15.9710607733
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  C         3.4416199468       21.6645578802       17.2998886366
  C         2.9808093369       20.6816525530       18.1717992159
  C         2.9240983473       23.0646790040       17.4357198081
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  F         3.9027526429       24.0240559122       17.3049441926
  F         1.9928094125       23.2929618805       16.4315568877
  B         5.6127787996       19.6410184608       14.6707455166
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  C         7.2759338117       18.2876577257       16.2228863467
  C         8.2430915177       17.3099083951       16.4687251275
  C         8.6354489458       16.4129114814       15.4742648961
  C         8.0510396619       16.5443783966       14.2150764302
  C         7.0963474865       17.5379986938       13.9631821650
  C         8.4236005316       15.5970882551       13.1143897945
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  F         9.2156630988       14.5691522789       13.5620898755
  F         9.1082742517       16.2277645500       12.1006924301
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  F        10.0143088435       16.5640784891       17.8928487132
  F         7.9538875002       16.3794921495       18.6302857412
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  C         7.2042529135       21.7087589509       15.2289553349
  C         8.1649689366       22.6677473704       14.8892475588
  C         8.6011824135       22.8137321904       13.5689749955
  C         8.0427428657       21.9744915870       12.6046319278
  C         7.0833864457       21.0172381186       12.9483752879
  C         8.4051581403       22.1121854251       11.1581958632
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  F         9.3807801510       23.0322237834       10.9270086345
  F         7.3250319525       22.5146224104       10.4087638592
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  F         7.6877703775       24.3577864453       16.5045991889
  F         9.2705764156       22.8897796134       17.0029037786
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  C         4.0549779402       17.9791172264       13.2699078970
  C         3.0869297466       17.6946377011       12.2954299989
  C         2.5666036264       18.7097902780       11.4915979607
  C         3.0225843513       20.0172648119       11.6992728533
  C         3.9836097533       20.2946557654       12.6748221063
  C         2.4006813687       21.1142646771       10.8851195132
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  F         1.0912354627       21.3338584017       11.2600776628
  F         3.0367964635       22.3171383736       10.9982119640
  C         2.5096794476       16.3089480312       12.1874069417
  F         1.9323606315       16.0519827558       10.9843710533
  F         3.4285584075       15.3139368494       12.3967840001
  F         1.5227960835       16.1212803918       13.1305232176
  H         4.4409173440       17.9865935656       16.6767356583
  H         4.5828629161       22.1307873433       15.5451045438
  H         2.3336839876       20.9341202063       19.0077527531
  H         6.9987420388       18.9627291704       17.0310427553
  H         9.3600443440       15.6315500735       15.6807083255
  H         6.6818386434       17.6167516353       12.9593325846
  H         6.8954532711       21.6312731485       16.2705265900
  H         9.3357139621       23.5655592914       13.2993483287
  H         6.6790769984       20.3818012763       12.1619134749
  H         4.4316503613       17.1607926291       13.8817216233
  H         1.8204972779       18.4891655500       10.7316727294
  H         4.3048771196       21.3257182163       12.8095845670
  F        15.6195958629        1.2741832360       -0.2926866732
  C        15.6610578686        1.6678551079        1.0283251994
  F        16.9906060834        1.8959726184        1.3192621693
  F        15.0496267672        2.8844075610        1.1026287171
  C        15.0716584305        0.6116964421        1.9263504654
  C        14.2401601499        0.9257941478        3.0088128879
  C        13.7456230125       -0.0699663856        3.8804941899
  C        14.1908225714       -1.3812357873        3.6472262795
  C        15.0053800838       -1.7042753895        2.5576680532
  C        15.4409399872       -0.7162626090        1.6738641033
  C        15.4680763350       -3.1197085265        2.3842098997
  F        16.0484659074       -3.3175704920        1.1716060375
  F        14.4479568929       -4.0417797230        2.4967142829
  F        16.4088633099       -3.4510225971        3.3550759161
  B        12.7961819125        0.2665875958        5.1705209393
  C        11.7334839217        1.4726385492        4.8557106301
  C        11.1226496829        1.5803312386        3.5905509712
  C        10.1455983830        2.5440664039        3.3232967567
  C         9.7291186604        3.4440566296        4.3083092189
  C        10.3108226733        3.3445544641        5.5689220934
  C        11.2865564483        2.3727301710        5.8389773077
  C         9.9392144484        4.3074546961        6.6586053863
  F        11.0581427051        4.8859132028        7.1936876183
  F         9.1284617910        5.3315933683        6.2349887204
  F         9.3025450276        3.6793583310        7.7009194515
  C         9.6239940867        2.7153479412        1.9308334574
  F         9.4966550481        1.5328643919        1.2490974861
  F         8.4035736170        3.3395539806        1.9039719007
  F        10.4697952571        3.4737989069        1.1650738503
  C        11.8036827700       -0.9787718449        5.5598775824
  C        11.2721157948       -1.8624298301        4.6019518383
  C        10.3011849087       -2.8153926408        4.9306080258
  C         9.8223146193       -2.9373090320        6.2380745504
  C        10.3432941213       -2.0746971383        7.2010739177
  C        11.3075715024       -1.1165012916        6.8677207656
  C         9.9452745413       -2.1888282139        8.6406140950
  F         9.5859525589       -0.9741944576        9.1687352861
  F         8.9068534589       -3.0506654766        8.8704843273
  F        11.0137905196       -2.6147099722        9.3936340750
  C         9.7541502641       -3.7002470331        3.8508933338
  F         8.8178815996       -4.5678033726        4.3253406809
  F        10.7201955827       -4.4536403489        3.2278941423
  F         9.1420461675       -2.9679654416        2.8560312982
  C        13.8570897030        0.6131805174        6.3677638713
  C        14.3479521824        1.9120855071        6.5834511119
  C        15.3237893655        2.1884353771        7.5524145395
  C        15.8574820059        1.1742769674        8.3427484856
  C        15.4108074946       -0.1320177807        8.1151299418
  C        14.4373790983       -0.4053449963        7.1504670408
  C        16.0237636308       -1.2301605841        8.9273945318
  F        16.0420531703       -0.8769029996       10.2653406499
  F        17.3294420829       -1.4917843762        8.5813117033
  F        15.3722825970       -2.4179210800        8.8053630460
  C        15.8744219648        3.5790245520        7.6460273204
  F        16.4719291851        3.8589408997        8.8463829026
  F        14.9151731580        4.5293262188        7.4124788324
  F        16.8261071077        3.7873709649        6.6723424000
  H        13.9741447789        1.9677719329        3.1817459642
  H        13.8945708140       -2.1772009061        4.3298501553
  H        16.0655154785       -0.9704832652        0.8220436194
  H        11.4167393794        0.8972421997        2.7947727779
  H         8.9881068169        4.2071321419        4.0929212228
  H        11.7118653143        2.3286332894        6.8413495469
  H        11.6172657605       -1.8112589949        3.5702707553
  H         9.0814074187       -3.6855042599        6.5008238722
  H        11.6784527206       -0.4583609944        7.6523965153
  H        13.9676721458        2.7361088982        5.9821326432
  H        16.6000327713        1.3923916126        9.1066665133
  H        14.1256646396       -1.4382736961        7.0054844337
  H        10.8008074675       11.7734186154        4.7821732661
  H        11.6280176620       10.0833138384        3.1537945875
     646
 i =       86, E =         0.0013673336
 Rh         3.6349542243        0.2355786959        4.8171211522
  P         5.3852829627        0.6384079233        6.2809364026
  C         5.2318484885       -0.2898496288        7.8736491216
  C         4.8226557178       -1.7604082207        7.6718146460
  C         4.5365002725       -2.4237261161        9.0291253444
  C         5.7217735258       -2.2935956723        9.9969259001
  C         6.1906909529       -0.8382466972       10.1414797244
  C         6.4699023162       -0.1834368892        8.7781960628
  C         5.6727522458        2.4043175384        6.7962558347
  C         4.6522250729        2.8137224463        7.8832907284
  C         4.6073382327        4.3257163586        8.1636091341
  C         4.5335641175        5.1530864489        6.8774659902
  C         5.7083241851        4.7983855597        5.9636030072
  C         5.6203651855        3.3226286219        5.5574477277
  C         6.9971092873        0.0912132259        5.5137952240
  C         6.9655744286        0.2293922315        3.9836961814
  P         5.3045084475       -0.2372107220        3.2855264659
  C         5.4472949595       -2.0255404357        2.7793458454
  C         4.3443309196       -2.4061195835        1.7717613562
  C         4.3759252850       -3.9024768394        1.4438419205
  C         4.2352899404       -4.7528706902        2.7081124702
  C         5.3584253452       -4.4287379066        3.6982028852
  C         5.3985716757       -2.9274158431        4.0346469921
  C         5.1499259055        0.7115253841        1.7037137644
  C         4.8780927011        2.2132508288        1.9199272055
  C         4.4333566142        2.8382444278        0.5870363732
  C         5.4841324841        2.6327492226       -0.5163243107
  C         5.9079601294        1.1600003390       -0.6519609000
  C         6.3051046497        0.5391525746        0.7011161960
  C         1.8755382417        0.3133930047        3.4684455982
  C         1.9030134931       -0.9401878097        4.0861358220
  C         1.0661725458       -0.8217063074        5.3727578297
  C         1.9302085880        0.1065517983        6.2530558252
  C         1.9002558937        1.3600349760        5.6414314311
  C         1.0188532935        1.2170293731        4.3833089922
  C        -0.0194328005        0.1815669674        4.8962373417
  H         4.3922670689        0.2186059554        8.3759120686
  H         5.6265013567       -2.3045616181        7.1540728743
  H         3.9378829294       -1.8172946405        7.0198637566
  H         4.2812963418       -3.4826575328        8.8811059968
  H         3.6473398128       -1.9510641093        9.4708331085
  H         5.4434702777       -2.6979734559       10.9809847383
  H         6.5578608151       -2.9093606762        9.6388438703
  H         7.0984128007       -0.7870037229       10.7607994772
  H         5.4140819071       -0.2554104293       10.6613544327
  H         6.7745880120        0.8618694119        8.9194437441
  H         7.3156099340       -0.6893823884        8.2948302830
  H         6.6886105722        2.4559729725        7.2205539663
  H         4.8848767481        2.2872453166        8.8188796361
  H         3.6495387717        2.4757191734        7.5862749360
  H         5.5040777427        4.6246864474        8.7248133272
  H         3.7485554020        4.5369139222        8.8170980653
  H         4.5227366273        6.2242192431        7.1204604562
  H         3.5912549423        4.9506544531        6.3464684767
  H         6.6533950162        4.9803475077        6.4939474218
  H         5.7289792457        5.4303062446        5.0668369045
  H         6.4291579438        3.0649246531        4.8582198425
  H         4.6757609581        3.1480282210        5.0163616093
  H         7.8342339176        0.6568999942        5.9476705871
  H         7.1401514370       -0.9598045026        5.8022255063
  H         7.7622215394       -0.3593398941        3.5064186035
  H         7.1246244935        1.2773239898        3.6922795545
  H         6.4262754812       -2.1470158248        2.2878739371
  H         4.4394360771       -1.8199304643        0.8482136609
  H         3.3580950563       -2.1587014920        2.1861092819
  H         5.3232525375       -4.1445292302        0.9409668894
  H         3.5731602831       -4.1315976870        0.7321736800
  H         4.2383235858       -5.8202214521        2.4473875679
  H         3.2572942236       -4.5607155979        3.1743456548
  H         5.2291261190       -4.9948038363        4.6330649802
  H         6.3232920266       -4.7409530431        3.2731858029
  H         6.2636356680       -2.7204204645        4.6808869377
  H         4.5040200109       -2.6595519454        4.6204009972
  H         4.2402395773        0.2807394103        1.2531384124
  H         5.7956827682        2.7084731536        2.2718704884
  H         4.1170042836        2.3643428614        2.7002432468
  H         4.2252269353        3.9091968827        0.7191659323
  H         3.4827582979        2.3738313905        0.2842610439
  H         6.3690049767        3.2468001937       -0.2943379061
  H         5.0902825733        2.9987539837       -1.4759507726
  H         6.7461844933        1.0723201983       -1.3589900713
  H         5.0748291778        0.5766796663       -1.0757152769
  H         7.1957608476        1.0484274740        1.0896446539
  H         6.5794191304       -0.5149883725        0.5679761859
  H         2.1150644247        0.5378286083        2.4328110548
  H         2.1744701963       -1.8906783844        3.6376343935
  H         0.7499339548       -1.7640287803        5.8264735414
  H         2.2146910524       -0.1156329318        7.2775989304
  H         2.1661031529        2.3131894913        6.0893984362
  H         0.6558808358        2.1481651923        3.9409322206
  H        -0.6399489039        0.5628707640        5.7136698278
  H        -0.6497079532       -0.2227232563        4.0976604185
 Rh        14.7185782504       19.6360165071       14.9718601850
  P        12.9471565390       19.2025216487       13.5256540610
  C        13.1179631082       20.1873108666       11.9632468952
  C        13.5018538082       21.6576852915       12.2114200937
  C        13.8468850688       22.3501050163       10.8827266305
  C        12.6917148396       22.2482818358        9.8768528369
  C        12.2622817426       20.7891301718        9.6662223615
  C        11.9304031903       20.0845309839       10.9945548012
  C        12.6491749235       17.4578117909       12.9420235175
  C        13.6587668516       17.0372179546       11.8521883964
  C        13.5895923065       15.5324326721       11.5477010145
  C        13.7876929774       14.7134759382       12.8258203802
  C        12.6816094637       15.0400623605       13.8334078186
  C        12.6751946608       16.5362148948       14.1816094979
  C        11.3254078701       19.6742009700       14.3410337277
  C        11.4135953587       19.6789438121       15.8794556140
  P        13.0934060630       20.1729365787       16.5197840739
  C        12.9408251782       21.9746281180       16.9617556479
  C        13.9868306200       22.4423282180       17.9977017790
  C        14.0029443942       23.9741143736       18.1640266297
  C        14.0800375091       24.7240937579       16.8296502642
  C        12.9405816830       24.2901835626       15.9062548190
  C        13.0415309222       22.7832647286       15.6513836003
  C        13.3262736674       19.2270056024       18.0971583871
  C        13.5848353100       17.7350275120       17.8070164229
  C        14.0387529244       17.0185338893       19.0863722306
  C        13.0016953712       17.1692205233       20.2101980991
  C        12.6199147444       18.6405055854       20.4523902013
  C        12.2224545612       19.3801885458       19.1573107396
  C        16.4384792799       19.6374384873       16.3553206639
  C        16.4608502281       20.8270147219       15.6202937244
  C        17.3272847018       20.5589203828       14.3740260403
  C        16.4547574865       19.5754294641       13.5628176849
  C        16.4278472716       18.3873769227       14.2932096945
  C        17.2850569747       18.6239071021       15.5544820062
  C        18.3698231411       19.5766540972       14.9776172748
  H        13.9882592547       19.7022834598       11.4892157132
  H        12.6646878431       22.1850994494       12.6922641723
  H        14.3511075810       21.7100740946       12.9100031133
  H        14.1094167218       23.4015665040       11.0640663792
  H        14.7453601627       21.8759523737       10.4603926597
  H        12.9864183341       22.6987855542        8.9174786317
  H        11.8345857457       22.8327164913       10.2399981032
  H        11.3891471218       20.7361246694        8.9993351442
  H        13.0791626523       20.2427369477        9.1688850035
  H        11.6628429342       19.0376713239       10.8032481341
  H        11.0465921472       20.5517621677       11.4473388153
  H        11.6389838825       17.4363041817       12.5010830440
  H        13.4720565268       17.6069467791       10.9316067523
  H        14.6819955717       17.2890147776       12.1677393660
  H        12.6121678040       15.2858993582       11.1075194302
  H        14.3456322352       15.2779176186       10.7913242521
  H        13.8080188637       13.6388350630       12.5976138312
  H        14.7694078784       14.9472997011       13.2656076932
  H        11.7097102836       14.7409137755       13.4173822153
  H        12.8154867272       14.4716356706       14.7636454464
  H        11.8156808555       16.7674164006       14.8294885092
  H        13.5758188852       16.7700268034       14.7717298664
  H        10.5419050854       18.9778962991       14.0073256151
  H        11.0428644889       20.6665016563       13.9632561490
  H        10.6407180394       20.3245578289       16.3209039067
  H        11.2413519864       18.6666899639       16.2713930871
  H        11.9338161521       22.1187880446       17.3852414752
  H        13.7824341063       21.9817731886       18.9750332695
  H        14.9896568919       22.1013095386       17.7055193103
  H        13.0938603525       24.2907014620       18.6945509210
  H        14.8505890330       24.2531307449       18.8044157191
  H        14.0518645598       25.8066206509       17.0118815776
  H        15.0436390801       24.5312295040       16.3353709098
  H        12.9697338700       24.8258723936       14.9475591269
  H        11.9712645450       24.5243480706       16.3686957034
  H        12.2739094108       22.4542514829       14.9379588375
  H        14.0117543646       22.5618331990       15.1771628591
  H        14.2551506232       19.6552700656       18.5110333049
  H        12.6588508583       17.2685593435       17.4376285667
  H        14.3327316702       17.6264234467       17.0060211737
  H        14.2207993553       15.9554754395       18.8718098338
  H        15.0040166853       17.4389565205       19.4067063052
  H        12.1018889399       16.5922876789       19.9513280732
  H        13.3902205876       16.7288148543       21.1400447996
  H        11.7885822391       18.6959534723       21.1710511545
  H        13.4716308099       19.1642325829       20.9146746101
  H        11.2817521890       18.9649406356       18.7717745215
  H        12.0316142728       20.4381166946       19.3772868663
  H        16.1808741984       19.5253980137       17.4047145432
  H        16.2037513348       21.8227366230       15.9726743165
  H        17.6862731911       21.4408937130       13.8384514490
  H        16.1964243055       19.7049569053       12.5153549504
  H        16.1303936877       17.4039824289       13.9374894055
  H        17.6022253921       17.7295794639       16.0958715870
  H        19.0050722435       19.1015490247       14.2218219924
  H        18.9873164753       20.0395878416       15.7563823872
 Rh         5.9755375442       10.0660277059       14.9866201688
  P         4.1683007810        9.5850166754       13.6181147274
  C         3.7638654140        7.8419405567       13.0964672271
  C         3.6754600808        6.9000049090       14.3183798639
  C         3.6529138956        5.4176869862       13.9078072454
  C         4.8611144711        5.0783568327       13.0322978590
  C         4.7867762425        5.8916757003       11.7402995430
  C         4.7906501481        7.3979056434       12.0348792014
  C         2.5913494986       10.2123395290       14.3828059138
  C         2.6618482250       10.1193942134       15.9113547123
  P         4.3474438108       10.6163800834       16.5256304639
  C         4.1418855476       12.3857568043       17.0445963547
  C         3.9883282830       13.2793390316       15.7938846537
  C         4.0725126578       14.7766770541       16.1230240742
  C         5.3788547493       15.0786791131       16.8611102985
  C         5.4139667647       14.2990321794       18.1767842717
  C         5.3234229326       12.7875058193       17.9502715891
  C         4.5907216265        9.6773154277       18.0959777029
  C         4.9516166037        8.2033248505       17.8306605204
  C         5.2350387112        7.4851965964       19.1569748553
  C         4.0284526665        7.5842102060       20.1015940866
  C         3.3960414647        9.8071906635       19.0529844429
  C         3.6568860075        9.0511439468       20.3648215100
  C         4.3735963928       10.5371481567       12.0453768263
  C         4.7041279576       12.0186300318       12.3117305198
  C         4.9919458591       12.7626173965       10.9971034849
  C         3.8578077278       12.5905775795        9.9751809181
  C         3.5024099055       11.1134655086        9.7553677293
  C         3.1915884957       10.3988954892       11.0795185386
  C         7.8255856305       11.1879494548       15.5463251896
  C         7.5888089168        8.6892198004       14.3516092397
  C         8.4941567474        8.9313443531       15.5775775974
  C         9.6266289775        9.7703923983       14.9241302689
  C         8.6395878904       10.7946013368       14.2967640759
  C         7.7440857834       10.0428545429       16.3445364990
  C         7.6784899363        9.8373698124       13.5570798397
  H         2.7670591512        7.8863912327       12.6270822282
  H         4.5364567533        7.0707799803       14.9824663543
  H         2.7758522781        7.1384523329       14.9059570338
  H         2.7337748368        5.1902718508       13.3507884618
  H         3.6267369867        4.8009091385       14.8132582084
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  F        11.2163214943        9.0175965940       20.2238953296
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  C        15.7739688680       12.0472845651       15.2281540980
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  F        18.1483539893       14.8383987404       15.4059528050
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  F        11.9232695810        5.6909006547       12.4654995764
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  F        10.0141354575       16.5640332513       17.8927975199
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  C         8.6008682986       22.8141619889       13.5687360243
  C         8.0424104170       21.9744051340       12.6048198744
  C         7.0834120397       21.0170409743       12.9481886231
  C         8.4051398664       22.1123356743       11.1582349782
  F         8.8237100130       20.9053084733       10.6309493893
  F         9.3807909466       23.0321747537       10.9265163559
  F         7.3252866605       22.5146363411       10.4085481110
  C         8.6823735499       23.5858974560       15.9562827296
  F         9.6020401164       24.4692579758       15.4765278498
  F         7.6878068680       24.3578758180       16.5044837591
  F         9.2707861084       22.8897474826       17.0028827894
  C         4.5455033440       19.2823528838       13.4786145866
  C         4.0546931728       17.9792930679       13.2696214421
  C         3.0864555121       17.6948084436       12.2951599619
  C         2.5659440874       18.7100314821       11.4916538969
  C         3.0222597982       20.0170266879       11.6994482594
  C         3.9833372526       20.2947564362       12.6749279016
  C         2.4004778758       21.1141360290       10.8850204653
  F         2.3722727582       20.7828476923        9.5410614406
  F         1.0912632635       21.3340601779       11.2598175183
  F         3.0366042978       22.3173088482       10.9975206297
  C         2.5097099873       16.3090794019       12.1875708678
  F         1.9325233504       16.0520485974       10.9844455548
  F         3.4285667350       15.3139315196       12.3965016102
  F         1.5227359650       16.1212938638       13.1303126472
  H         4.4405123963       17.9893188481       16.6765522845
  H         4.5844626710       22.1329385738       15.5442430205
  H         2.3324674779       20.9342267887       19.0064750824
  H         6.9980053943       18.9621275253       17.0311317102
  H         9.3607477742       15.6322975351       15.6803558195
  H         6.6807655488       17.6157412561       12.9594092137
  H         6.8960888039       21.6306573591       16.2706954894
  H         9.3348838285       23.5664417736       13.2990771784
  H         6.6793658496       20.3818875272       12.1619440503
  H         4.4317791076       17.1606999471       13.8818152242
  H         1.8199882427       18.4895821013       10.7326643873
  H         4.3045285196       21.3260228978       12.8099439311
  F        15.6178793828        1.2757268298       -0.2927435592
  C        15.6613636918        1.6676672669        1.0289437788
  F        16.9912652996        1.8961024553        1.3185521673
  F        15.0493387980        2.8839860524        1.1006763817
  C        15.0713155333        0.6114384766        1.9265369821
  C        14.2396122088        0.9257016396        3.0081980757
  C        13.7454306104       -0.0700380212        3.8794577657
  C        14.1899849727       -1.3814481760        3.6467215622
  C        15.0051597022       -1.7037355206        2.5578161485
  C        15.4417756599       -0.7161781479        1.6743694093
  C        15.4679127605       -3.1194231054        2.3838899017
  F        16.0484873396       -3.3178121931        1.1717431733
  F        14.4479169496       -4.0419979879        2.4968257036
  F        16.4090495735       -3.4514121778        3.3552412226
  B        12.7955212671        0.2668758111        5.1701358857
  C        11.7338644691        1.4732045019        4.8558463986
  C        11.1226119301        1.5812891258        3.5902339575
  C        10.1454571747        2.5445248544        3.3223080469
  C         9.7291279264        3.4446940525        4.3082688304
  C        10.3112237575        3.3448795099        5.5693755788
  C        11.2866483909        2.3731702664        5.8387862749
  C         9.9394129828        4.3079347322        6.6585016903
  F        11.0583373220        4.8857280461        7.1935033923
  F         9.1285708661        5.3315416248        6.2351475073
  F         9.3026374528        3.6791855125        7.7008027435
  C         9.6249993819        2.7165896141        1.9296776957
  F         9.4970503882        1.5321170555        1.2489394049
  F         8.4038301993        3.3405855962        1.9045106551
  F        10.4683958005        3.4730553178        1.1667387437
  C        11.8029739775       -0.9778890654        5.5596618955
  C        11.2709427995       -1.8613279122        4.6016677776
  C        10.3005828663       -2.8149662911        4.9304170990
  C         9.8221750033       -2.9370674628        6.2380956641
  C        10.3431711075       -2.0743744125        7.2008820779
  C        11.3072430783       -1.1160351036        6.8676021970
  C         9.9453067144       -2.1887045996        8.6404787350
  F         9.5856187790       -0.9744142722        9.1687664598
  F         8.9068829270       -3.0504936227        8.8707286443
  F        11.0136998927       -2.6147777277        9.3936541364
  C         9.7540044569       -3.7002098791        3.8507613249
  F         8.8178636889       -4.5676872586        4.3255118704
  F        10.7201747642       -4.4536363972        3.2278099852
  F         9.1419323578       -2.9678576022        2.8561067689
  C        13.8568813144        0.6139169590        6.3673280149
  C        14.3479836907        1.9117296519        6.5834764805
  C        15.3233674586        2.1889247088        7.5511501367
  C        15.8583055966        1.1735982724        8.3421561257
  C        15.4106134622       -0.1320083592        8.1144712758
  C        14.4371275811       -0.4056444330        7.1505919822
  C        16.0236647388       -1.2301608841        8.9271783832
  F        16.0419336730       -0.8769706631       10.2652331522
  F        17.3294378600       -1.4919550097        8.5814239139
  F        15.3723760813       -2.4177973265        8.8054572963
  C        15.8743712686        3.5788119172        7.6455631723
  F        16.4720106937        3.8589459143        8.8458838696
  F        14.9151081995        4.5292530152        7.4124522259
  F        16.8261750390        3.7871902412        6.6722175188
  H        13.9729204213        1.9676776108        3.1806168462
  H        13.8930417444       -2.1772587158        4.3286113480
  H        16.0674207572       -0.9701500988        0.8231932343
  H        11.4170290646        0.8981187299        2.7939196202
  H         8.9880164479        4.2079595927        4.0926307696
  H        11.7116828288        2.3289643234        6.8405997852
  H        11.6153876329       -1.8093919058        3.5694412331
  H         9.0814764166       -3.6853883154        6.5007497957
  H        11.6783194508       -0.4581254981        7.6521056257
  H        13.9672631858        2.7364516549        5.9819254620
  H        16.6013476373        1.3921014466        9.1047529920
  H        14.1246542915       -1.4379325704        7.0056916151
  H        10.8014977574       11.7727896025        4.7809383335
  H        11.6268175838       10.0825381509        3.1523794802
     646
 i =       87, E =         0.0061858015
 Rh         3.6353295797        0.2357711959        4.8171891533
  P         5.3853588379        0.6384207410        6.2811804800
  C         5.2315500648       -0.2905604107        7.8734591687
  C         4.8231895180       -1.7614180787        7.6715240949
  C         4.5364141299       -2.4243347436        9.0289278620
  C         5.7217659675       -2.2945964771        9.9966718161
  C         6.1904909185       -0.8392057764       10.1414150851
  C         6.4694105466       -0.1840072267        8.7782607225
  C         5.6726100948        2.4044282412        6.7966871480
  C         4.6515205541        2.8140869093        7.8830557154
  C         4.6079827785        4.3259966896        8.1638253363
  C         4.5338748548        5.1536600061        6.8778894606
  C         5.7077420337        4.7987378253        5.9629576551
  C         5.6207990674        3.3226347378        5.5576915758
  C         6.9972023032        0.0912042180        5.5141758627
  C         6.9659350700        0.2292963402        3.9839953488
  P         5.3047468892       -0.2371591665        3.2859096910
  C         5.4480263510       -2.0254548763        2.7799261533
  C         4.3457637149       -2.4057601251        1.7714412072
  C         4.3760047874       -3.9023842170        1.4444211819
  C         4.2356707982       -4.7525597595        2.7088512734
  C         5.3592085664       -4.4285224985        3.6985197928
  C         5.3990261630       -2.9273058827        4.0352085962
  C         5.1488188246        0.7112166663        1.7039967205
  C         4.8767058800        2.2129101652        1.9200920385
  C         4.4332272187        2.8384678285        0.5870130591
  C         5.4846826787        2.6330160671       -0.5156953103
  C         5.9074978299        1.1600583062       -0.6517789024
  C         6.3036097923        0.5382369887        0.7011317066
  C         1.8758399091        0.3135437812        3.4686581306
  C         1.9032568660       -0.9398152289        4.0865863075
  C         1.0666478055       -0.8208937102        5.3733486251
  C         1.9309584970        0.1073282967        6.2534532427
  C         1.9011208718        1.3609411533        5.6413593484
  C         1.0194917093        1.2175847878        4.3834288719
  C        -0.0189051390        0.1822969701        4.8964977328
  H         4.3915393758        0.2173772537        8.3756224413
  H         5.6278857286       -2.3052932023        7.1548128901
  H         3.9390499225       -1.8191889879        7.0188239331
  H         4.2804287919       -3.4831081458        8.8812306331
  H         3.6476391263       -1.9508743722        9.4705345142
  H         5.4435772025       -2.6991696141       10.9806882335
  H         6.5578061523       -2.9103453393        9.6383821426
  H         7.0982767073       -0.7878194406       10.7606131137
  H         5.4137620363       -0.2567253301       10.6614784642
  H         6.7738032639        0.8613460233        8.9197046784
  H         7.3151814402       -0.6896451364        8.2946970585
  H         6.6882047101        2.4561144171        7.2216295824
  H         4.8827896954        2.2869321831        8.8185969300
  H         3.6487605069        2.4772667862        7.5849815260
  H         5.5053223522        4.6241266796        8.7245299869
  H         3.7497719623        4.5377621674        8.8178833535
  H         4.5240054247        6.2247559826        7.1211740448
  H         3.5909649309        4.9520856057        6.3476513297
  H         6.6533551981        4.9821727113        6.4918113130
  H         5.7265363351        5.4298268638        5.0655259010
  H         6.4304183224        3.0652343952        4.8592899135
  H         4.6768249202        3.1472928990        5.0157723303
  H         7.8343834901        0.6566628870        5.9482066927
  H         7.1399399754       -0.9598400392        5.8026221263
  H         7.7623365167       -0.3600319283        3.5070579857
  H         7.1256754528        1.2770720167        3.6924416307
  H         6.4273999499       -2.1468148827        2.2891055303
  H         4.4431767881       -1.8205681437        0.8474885207
  H         3.3593437161       -2.1564675558        2.1840785450
  H         5.3228767688       -4.1452662939        0.9410332491
  H         3.5726729366       -4.1311594710        0.7332583178
  H         4.2386089505       -5.8198949672        2.4480571832
  H         3.2578916500       -4.5604199683        3.1755306152
  H         5.2304912347       -4.9948792772        4.6332826063
  H         6.3239673561       -4.7403429492        3.2729904017
  H         6.2639768174       -2.7202140416        4.6815838435
  H         4.5043759966       -2.6596575914        4.6208936514
  H         4.2388977883        0.2800964583        1.2541953570
  H         5.7937921047        2.7081791720        2.2732961361
  H         4.1146694914        2.3636270798        2.6995844687
  H         4.2254384138        3.9094382199        0.7194572406
  H         3.4826826013        2.3745890450        0.2832822478
  H         6.3697919966        3.2463839710       -0.2927929557
  H         5.0917099003        2.9997569136       -1.4753890434
  H         6.7460489006        1.0720181946       -1.3583549280
  H         5.0741212209        0.5776090794       -1.0762756482
  H         7.1949939373        1.0460506647        1.0899641206
  H         6.5764082166       -0.5162505804        0.5675297028
  H         2.1149414264        0.5376814988        2.4327528254
  H         2.1744127130       -1.8905143434        3.6380986602
  H         0.7503505692       -1.7630218990        5.8274576629
  H         2.2160501232       -0.1146802374        7.2775853982
  H         2.1677193750        2.3139124742        6.0886683384
  H         0.6566553722        2.1487719583        3.9409458145
  H        -0.6397352375        0.5637687063        5.7136152442
  H        -0.6488310909       -0.2221971847        4.0977732567
 Rh        14.7185066832       19.6359950228       14.9721575770
  P        12.9476519185       19.2026960253       13.5257875885
  C        13.1186841189       20.1873597840       11.9632642517
  C        13.5020565861       21.6579387428       12.2114461488
  C        13.8470158450       22.3504937287       10.8827818249
  C        12.6917571281       22.2486183954        9.8769877554
  C        12.2619663006       20.7895291229        9.6665266236
  C        11.9307758628       20.0847810529       10.9949501026
  C        12.6498601733       17.4576116273       12.9431124231
  C        13.6594806542       17.0371910947       11.8532552132
  C        13.5902697609       15.5325496624       11.5481481556
  C        13.7875563199       14.7128161561       12.8258955661
  C        12.6816778891       15.0397604337       13.8335987933
  C        12.6761564548       16.5357751975       14.1825638440
  C        11.3258551400       19.6753585954       14.3402952642
  C        11.4133090890       19.6786099969       15.8787429346
  P        13.0929897625       20.1727252271       16.5193842708
  C        12.9399128324       21.9743064967       16.9614761718
  C        13.9868359756       22.4412787756       17.9967554458
  C        14.0024757766       23.9727813098       18.1644421689
  C        14.0803992828       24.7233160154       16.8304503850
  C        12.9409817321       24.2905907502       15.9064038868
  C        13.0395537907       22.7834899545       15.6513125474
  C        13.3265757637       19.2270060978       18.0967328696
  C        13.5856758034       17.7350192066       17.8070046758
  C        14.0386529661       17.0185995091       19.0867697048
  C        13.0009007966       17.1695912227       20.2099096623
  C        12.6202286597       18.6411179094       20.4521122216
  C        12.2228242100       19.3804360778       19.1568636218
  C        16.4389414574       19.6366896144       16.3557051465
  C        16.4610804969       20.8270808385       15.6205778324
  C        17.3269981932       20.5587586933       14.3739838479
  C        16.4541428951       19.5758544953       13.5624488424
  C        16.4274497320       18.3868845834       14.2930565311
  C        17.2851685267       18.6236390076       15.5538595739
  C        18.3697708399       19.5764904602       14.9769899839
  H        13.9890002977       19.7025472720       11.4890154869
  H        12.6644416228       22.1849524651       12.6918795842
  H        14.3510309914       21.7109151685       12.9102665019
  H        14.1092282482       23.4020189234       11.0642558257
  H        14.7456500223       21.8766963533       10.4603673803
  H        12.9863970913       22.6989460742        8.9175130293
  H        11.8348016851       22.8332889801       10.2401788047
  H        11.3883200552       20.7368424394        9.0003008340
  H        13.0783497771       20.2430607325        9.1685177638
  H        11.6628987485       19.0379863800       10.8037061002
  H        11.0473345793       20.5521635294       11.4483240892
  H        11.6395880344       17.4357533669       12.5023432642
  H        13.4728469151       17.6072451240       10.9328689881
  H        14.6826668630       17.2888803738       12.1689862481
  H        12.6130595268       15.2863865844       11.1072927622
  H        14.3467115014       15.2783149887       10.7920670432
  H        13.8068875778       13.6382915975       12.5970196109
  H        14.7694568371       14.9454116187       13.2658963275
  H        11.7095890893       14.7415275847       13.4173669450
  H        12.8150641500       14.4706483141       14.7634972909
  H        11.8169696949       16.7669462617       14.8308954601
  H        13.5770606985       16.7689827284       14.7724843287
  H        10.5416272177       18.9805505971       14.0052994763
  H        11.0451229615       20.6684570123       13.9633519680
  H        10.6402248397       20.3237952448       16.3204036252
  H        11.2410597685       18.6660065567       16.2697261595
  H        11.9332678022       22.1181949245       17.3859484222
  H        13.7838061498       21.9794755515       18.9737614555
  H        14.9894356840       22.1010169145       17.7029196072
  H        13.0929463562       24.2887398471       18.6946013616
  H        14.8496645451       24.2515051692       18.8055682382
  H        14.0527509242       25.8057835246       17.0131071041
  H        15.0441197226       24.5300633619       16.3365752248
  H        12.9717575203       24.8260655232       14.9476125171
  H        11.9716892034       24.5264323321       16.3680273562
  H        12.2701060103       22.4559421999       14.9391517946
  H        14.0085853835       22.5607863159       15.1752906643
  H        14.2554392680       19.6556659019       18.5101938625
  H        12.6601683521       17.2682607051       17.4368225404
  H        14.3343310150       17.6265206437       17.0066902078
  H        14.2206417525       15.9554901976       18.8723946286
  H        15.0037837957       17.4388291143       19.4077942990
  H        12.1007608536       16.5936325737       19.9500552059
  H        13.3882838918       16.7284699272       21.1398791128
  H        11.7891457787       18.6973802257       21.1709758660
  H        13.4724752937       19.1643864287       20.9139396922
  H        11.2821896270       18.9649570717       18.7714295815
  H        12.0319333291       20.4384370952       19.3764019391
  H        16.1819729276       19.5247038965       17.4047633373
  H        16.2043775734       21.8221977776       15.9734251664
  H        17.6857269409       21.4409852813       13.8383894112
  H        16.1951479860       19.7054569959       12.5157404340
  H        16.1295962641       17.4042459303       13.9373532453
  H        17.6025392453       17.7290203569       16.0949472816
  H        19.0049177346       19.1016501807       14.2210071460
  H        18.9872548848       20.0393258562       15.7557881588
 Rh         5.9750024125       10.0657737822       14.9865601018
  P         4.1680672022        9.5854473968       13.6172848737
  C         3.7651340858        7.8420889895       13.0959772310
  C         3.6771090358        6.9007965811       14.3183393124
  C         3.6536444481        5.4183688676       13.9083439387
  C         4.8612972548        5.0780199639       13.0324322168
  C         4.7875063295        5.8915891052       11.7405403757
  C         4.7927078235        7.3977886820       12.0352838325
  C         2.5910415925       10.2121163475       14.3824551698
  C         2.6615121206       10.1190276368       15.9110993080
  P         4.3469289692       10.6160603282       16.5259642721
  C         4.1421960453       12.3857739887       17.0445850162
  C         3.9891186095       13.2790829242       15.7936477373
  C         4.0728831209       14.7765438484       16.1224849110
  C         5.3787460667       15.0792095353       16.8611244581
  C         5.4139350942       14.2992555096       18.1766199960
  C         5.3240852503       12.7876923240       17.9497411579
  C         4.5899310598        9.6770195132       18.0965994531
  C         4.9505154930        8.2029591687       17.8311452655
  C         5.2342745093        7.4844788398       19.1572078825
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  F        18.1483809735       14.8383782773       15.4059188394
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  F        10.6247887246       12.6604097862       11.7431909638
  F        11.7654874989       11.8885569292       10.0475113501
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  C        16.8103983993        7.5568585857       16.4648493970
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  C        16.4850815083        6.8298892676       14.2082207780
  C        15.5663734703        7.8684937557       14.0143198363
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  H        17.8161135763        5.8543592794       15.5914699307
  H        15.1230353307        7.9891273520       13.0252315612
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  F         3.3556051361       17.0870358516       18.6341224710
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  C         4.6908341417       20.0168037173       15.9744085975
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  C         3.4407983314       21.6635005037       17.3009380400
  C         2.9795567307       20.6797312812       18.1707667416
  C         2.9243370644       23.0645098726       17.4347198114
  F         2.3002657027       23.2925379262       18.6239264157
  F         3.9020625718       24.0245662849       17.3055166880
  F         1.9928405749       23.2937342559       16.4322526545
  B         5.6135104278       19.6411467797       14.6693039357
  C         6.6580152312       18.4202602741       14.9669263944
  C         7.2753029471       18.2868550370       16.2230231713
  C         8.2431475712       17.3095677101       16.4684158101
  C         8.6362323798       16.4132249798       15.4739421499
  C         8.0509208952       16.5442972044       14.2154224185
  C         7.0952845015       17.5370822256       13.9636132929
  C         8.4235402859       15.5969572793       13.1143576139
  F         7.3130754839       15.0307300718       12.5389727221
  F         9.2158704495       14.5690172058       13.5621131333
  F         9.1080049043       16.2276221006       12.1005356095
  C         8.7832412713       17.1553898142       17.8521043008
  F         8.9103626002       18.3674233689       18.4840098208
  F        10.0140930406       16.5639856077       17.8927913797
  F         7.9540144748       16.3791918277       18.6302360853
  C         6.6284030217       20.8578352479       14.2666252950
  C         7.2048816028       21.7080068042       15.2287275132
  C         8.1649271767       22.6677759768       14.8890362471
  C         8.6004127860       22.8144922741       13.5686209079
  C         8.0422674565       21.9745040600       12.6047614218
  C         7.0834725772       21.0169114224       12.9481067686
  C         8.4051157659       22.1123604304       11.1582130287
  F         8.8236964497       20.9054063590       10.6309690755
  F         9.3807468653       23.0321529622       10.9264096948
  F         7.3253193884       22.5146592577       10.4084617423
  C         8.6823550516       23.5858990728       15.9562660941
  F         9.6020196853       24.4692399132       15.4765509798
  F         7.6877963567       24.3579024916       16.5044515574
  F         9.2708195655       22.8897395680       17.0028443992
  C         4.5453671639       19.2825510024       13.4787129548
  C         4.0545634663       17.9793889235       13.2695711529
  C         3.0861235337       17.6949407690       12.2951071756
  C         2.5655060205       18.7101715377       11.4919969490
  C         3.0219235710       20.0171020336       11.6996222911
  C         3.9830977367       20.2948830893       12.6751259553
  C         2.4004892554       21.1141558053       10.8851249397
  F         2.3722447067       20.7829832382        9.5411085012
  F         1.0911152706       21.3341714826       11.2596571119
  F         3.0364046475       22.3172642376       10.9973354308
  C         2.5096622575       16.3090897188       12.1875485738
  F         1.9326038490       16.0520832167       10.9845363106
  F         3.4285433197       15.3139591777       12.3964397599
  F         1.5226886634       16.1212493220       13.1302929178
  H         4.4404626742       17.9900050174       16.6762080435
  H         4.5855616569       22.1336478433       15.5445103202
  H         2.3311331925       20.9340166291       19.0053344396
  H         6.9972165048       18.9616339151       17.0314241078
  H         9.3614392154       15.6330933085       15.6800083913
  H         6.6797490578       17.6147064899       12.9597421793
  H         6.8967637688       21.6299923009       16.2706974475
  H         9.3340207930       23.5673480124       13.2987849620
  H         6.6795553908       20.3818280553       12.1618398063
  H         4.4317705871       17.1607639960       13.8817268406
  H         1.8191525664       18.4899019352       10.7333688920
  H         4.3040989738       21.3262092980       12.8102627463
  F        15.6174942816        1.2758561331       -0.2928046309
  C        15.6615373014        1.6677570129        1.0290807828
  F        16.9914209473        1.8960506090        1.3183300407
  F        15.0492216130        2.8839287424        1.1003177919
  C        15.0713857617        0.6113385118        1.9264557719
  C        14.2389771014        0.9257731491        3.0076205099
  C        13.7448714288       -0.0701131542        3.8788544687
  C        14.1891669994       -1.3813868645        3.6460970544
  C        15.0051540652       -1.7036816658        2.5577920140
  C        15.4426080821       -0.7159668725        1.6748487246
  C        15.4678618010       -3.1193846052        2.3838438452
  F        16.0484984718       -3.3178414222        1.1717834621
  F        14.4479520696       -4.0419769588        2.4968214523
  F        16.4090782956       -3.4514547201        3.3552310068
  B        12.7951665580        0.2672343351        5.1696700335
  C        11.7338920791        1.4739208483        4.8554867875
  C        11.1228436416        1.5819852253        3.5898558274
  C        10.1453667625        2.5453093324        3.3220497185
  C         9.7293076677        3.4451161372        4.3081510437
  C        10.3112397268        3.3453310584        5.5690631637
  C        11.2868510838        2.3735249199        5.8385735119
  C         9.9396177673        4.3081207559        6.6585231246
  F        11.0586902768        4.8857127209        7.1934620758
  F         9.1285624595        5.3316518890        6.2351820525
  F         9.3027015103        3.6791574518        7.7007494290
  C         9.6247018276        2.7164452340        1.9296837643
  F         9.4972011172        1.5321446938        1.2489425732
  F         8.4040583699        3.3410331041        1.9045687518
  F        10.4685081905        3.4733224859        1.1666012675
  C        11.8021813266       -0.9770961840        5.5594172070
  C        11.2697998267       -1.8602023313        4.6012099311
  C        10.3000796299       -2.8144667350        4.9302625117
  C         9.8220812633       -2.9368463575        6.2379867313
  C        10.3430499165       -2.0740602657        7.2007668158
  C        11.3069298200       -1.1155833075        6.8673710696
  C         9.9453658926       -2.1886244373        8.6404185625
  F         9.5855465985       -0.9744465040        9.1687669028
  F         8.9069046040       -3.0504764215        8.8707844031
  F        11.0136747729       -2.6147748593        9.3936001389
  C         9.7539140142       -3.7001271753        3.8506655388
  F         8.8178738665       -4.5676511529        4.3255634075
  F        10.7201396236       -4.4535986554        3.2277769512
  F         9.1418842748       -2.9678222490        2.8560747670
  C        13.8567412651        0.6135156776        6.3671714711
  C        14.3475713614        1.9123567238        6.5827679775
  C        15.3238737255        2.1883587155        7.5511080523
  C        15.8584755368        1.1739065070        8.3405928114
  C        15.4107587682       -0.1322230672        8.1141456163
  C        14.4364795489       -0.4052017990        7.1501463936
  C        16.0236444623       -1.2301339601        8.9269700658
  F        16.0418849191       -0.8769421556       10.2651072860
  F        17.3294539840       -1.4919691347        8.5814085186
  F        15.3723682948       -2.4178121041        8.8054397637
  C        15.8742679686        3.5787946051        7.6449985424
  F        16.4720545469        3.8588718601        8.8452695423
  F        14.9150900030        4.5292780346        7.4123856249
  F        16.8262944817        3.7871891256        6.6720352016
  H        13.9716977839        1.9675461849        3.1794502883
  H        13.8914296882       -2.1774456384        4.3274510194
  H        16.0693752716       -0.9698029719        0.8243978941
  H        11.4172914213        0.8991690460        2.7932573540
  H         8.9880118790        4.2087249590        4.0923970921
  H        11.7116283528        2.3292963358        6.8401182523
  H        11.6134246943       -1.8074840322        3.5687468173
  H         9.0815738080       -3.6853135295        6.5006974060
  H        11.6782186239       -0.4578213841        7.6518808320
  H        13.9669889708        2.7364635272        5.9819261566
  H        16.6028869640        1.3918231833        9.1030027605
  H        14.1236066992       -1.4377950748        7.0058841747
  H        10.8021545247       11.7721918639        4.7796039904
  H        11.6253695619       10.0817299958        3.1510267740
     646
 i =       88, E =         0.0040205109
 Rh         3.6358090569        0.2359696201        4.8173135531
  P         5.3855016594        0.6384129218        6.2813692961
  C         5.2313165421       -0.2914771627        7.8733668963
  C         4.8239079638       -1.7624806300        7.6712381524
  C         4.5365092000       -2.4249941523        9.0286843445
  C         5.7217889566       -2.2957520083        9.9963273740
  C         6.1902907127       -0.8403762075       10.1412578545
  C         6.4688488673       -0.1846882263        8.7783086789
  C         5.6724431600        2.4045560811        6.7971775876
  C         4.6507384312        2.8144600864        7.8827774291
  C         4.6087415896        4.3262545854        8.1640048555
  C         4.5342269410        5.1542445975        6.8783488011
  C         5.7070476604        4.7990796629        5.9622578263
  C         5.6212610796        3.3225801907        5.5579731441
  C         6.9973145080        0.0912107735        5.5145831825
  C         6.9664086330        0.2291733391        3.9843175491
  P         5.3050328386       -0.2371966910        3.2863526895
  C         5.4488785448       -2.0253599116        2.7805664736
  C         4.3474041071       -2.4054583063        1.7710499958
  C         4.3761243906       -3.9021776025        1.4451687065
  C         4.2359978689       -4.7523001446        2.7097696920
  C         5.3600057012       -4.4282474725        3.6988629138
  C         5.3995340704       -2.9271182100        4.0359684248
  C         5.1475573696        0.7108966117        1.7042211769
  C         4.8751720870        2.2124128027        1.9202556982
  C         4.4330955445        2.8386678254        0.5869775917
  C         5.4852593053        2.6332667632       -0.5149033149
  C         5.9069544961        1.1600677646       -0.6516058677
  C         6.3018908741        0.5371969659        0.7011610749
  C         1.8762390203        0.3136940003        3.4688214714
  C         1.9036004977       -0.9394896176        4.0870389377
  C         1.0671803275       -0.8200429004        5.3740914618
  C         1.9317250901        0.1081660987        6.2536456788
  C         1.9019976887        1.3617313672        5.6410923710
  C         1.0201993240        1.2182440351        4.3835855454
  C        -0.0181026768        0.1831073807        4.8968203190
  H         4.3907903429        0.2159762510        8.3753075850
  H         5.6294786430       -2.3061487089        7.1556128767
  H         3.9403455197       -1.8213120446        7.0175966846
  H         4.2795123763       -3.4837315792        8.8813186988
  H         3.6479280615       -1.9507133942        9.4701919071
  H         5.4437422841       -2.7005733157       10.9803470435
  H         6.5577711548       -2.9114521306        9.6378394713
  H         7.0982255720       -0.7887960120       10.7604556203
  H         5.4134270558       -0.2581966470       10.6616678528
  H         6.7729801790        0.8607801558        8.9200400205
  H         7.3147933118       -0.6899382124        8.2945826010
  H         6.6877939576        2.4562551428        7.2228509047
  H         4.8804691271        2.2865327064        8.8183005201
  H         3.6479229999        2.4789894991        7.5835373385
  H         5.5068062929        4.6234682513        8.7242277400
  H         3.7511773488        4.5386885626        8.8188250037
  H         4.5254369904        6.2253279307        7.1219720413
  H         3.5906828138        4.9536303494        6.3490120392
  H         6.6533550568        4.9841874126        6.4894237985
  H         5.7238039795        5.4292647021        5.0640450228
  H         6.4318444434        3.0655394956        4.8604742370
  H         4.6780404212        3.1464353887        5.0151395689
  H         7.8346009409        0.6564045993        5.9487897046
  H         7.1397642966       -0.9599046192        5.8030511997
  H         7.7624638608       -0.3607681253        3.5077696901
  H         7.1268678135        1.2767955478        3.6926153259
  H         6.4287661987       -2.1465902828        2.2904562556
  H         4.4473680748       -1.8213267865        0.8466921237
  H         3.3608407543       -2.1540442294        2.1818113977
  H         5.3226041642       -4.1461731525        0.9410484507
  H         3.5721278028       -4.1307011382        0.7344312621
  H         4.2389633588       -5.8195232276        2.4488460399
  H         3.2587603521       -4.5600935927        3.1767996776
  H         5.2321027736       -4.9949882761        4.6335359961
  H         6.3249109941       -4.7397129487        3.2727007367
  H         6.2643772404       -2.7199940503        4.6823413542
  H         4.5049175217       -2.6598325183        4.6213303537
  H         4.2374947309        0.2793597374        1.2554082100
  H         5.7917093793        2.7078594525        2.2749021795
  H         4.1120658878        2.3627867043        2.6988689191
  H         4.2256595405        3.9096954493        0.7197986392
  H         3.4826261784        2.3754143485        0.2822059923
  H         6.3707287390        3.2459117304       -0.2909917117
  H         5.0933467266        3.0009200616       -1.4747700752
  H         6.7458863827        1.0716697197       -1.3576716513
  H         5.0733680056        0.5786742397       -1.0768622788
  H         7.1942179562        1.0433936004        1.0903040775
  H         6.5730767466       -0.5176852443        0.5669994368
  H         2.1148612375        0.5374521934        2.4327699216
  H         2.1743993271       -1.8903199434        3.6386567882
  H         0.7508761512       -1.7619063524        5.8285432765
  H         2.2176100107       -0.1136669298        7.2778035176
  H         2.1695451421        2.3148899304        6.0879570950
  H         0.6575698732        2.1493434495        3.9409656063
  H        -0.6394621836        0.5647748087        5.7136564658
  H        -0.6479177803       -0.2216717809        4.0979042440
 Rh        14.7184987448       19.6359832570       14.9724651970
  P        12.9481080188       19.2028599311       13.5259558674
  C        13.1193955009       20.1875605538       11.9632574062
  C        13.5021575653       21.6581299579       12.2113721346
  C        13.8469440825       22.3508514236       10.8828435349
  C        12.6917662383       22.2490238910        9.8772330082
  C        12.2615447573       20.7900398023        9.6670020435
  C        11.9311381362       20.0850877302       10.9954347417
  C        12.6506253833       17.4573740392       12.9443548433
  C        13.6603103281       17.0371482692       11.8544497756
  C        13.5910222433       15.5327311010       11.5487242969
  C        13.7873763144       14.7121002583       12.8259899134
  C        12.6817872674       15.0394476312       13.8337720054
  C        12.6772479621       16.5353310569       14.1836104360
  C        11.3263953802       19.6766508035       14.3395136302
  C        11.4130006482       19.6782596143       15.8779074960
  P        13.0924251821       20.1724677368       16.5189438796
  C        12.9389021550       21.9739764689       16.9611880814
  C        13.9867973672       22.4400363293       17.9956937040
  C        14.0018766169       23.9712797926       18.1649175900
  C        14.0807488451       24.7224313360       16.8313506047
  C        12.9413796754       24.2910287016       15.9066351408
  C        13.0372821458       22.7837657024       15.6512774333
  C        13.3268762070       19.2270017671       18.0962918682
  C        13.5865938916       17.7350663846       17.8070183291
  C        14.0385216031       17.0186881395       19.0872410407
  C        12.9999903289       17.1700347157       20.2095721555
  C        12.6205536629       18.6417969759       20.4517467411
  C        12.2232238968       19.3806754380       19.1563779107
  C        16.4394740408       19.6361706416       16.3556607300
  C        16.4613584969       20.8266363006       15.6209223049
  C        17.3266007946       20.5587715682       14.3738970256
  C        16.4534555171       19.5759317616       13.5625380557
  C        16.4269991862       18.3870378447       14.2926414318
  C        17.2853162260       18.6232886369       15.5533261208
  C        18.3695635867       19.5763310708       14.9762667401
  H        13.9897878433       19.7028456309       11.4887793506
  H        12.6641180051       22.1848206501       12.6915322091
  H        14.3509871526       21.7118403167       12.9106318728
  H        14.1089675428       23.4026051064       11.0644856215
  H        14.7459376529       21.8775147434       10.4603421991
  H        12.9863006204       22.6991469319        8.9175577421
  H        11.8349703924       22.8339208435       10.2403903291
  H        11.3872718303       20.7376455206        9.0013410093
  H        13.0774235375       20.2434001910        9.1680807082
  H        11.6629058066       19.0383094939       10.8042131743
  H        11.0480963415       20.5525834463       11.4494162191
  H        11.6401987389       17.4351328249       12.5037204571
  H        13.4737348882       17.6075979460       10.9342662419
  H        14.6833606139       17.2887278453       12.1703972085
  H        12.6139945989       15.2869287872       11.1070116962
  H        14.3479246500       15.2787503822       10.7928789362
  H        13.8055797585       13.6376851099       12.5963427474
  H        14.7694613674       14.9432940777       13.2662136137
  H        11.7093792148       14.7422144538       13.4173413503
  H        12.8145626931       14.4695515641       14.7633624524
  H        11.8184047056       16.7664497926       14.8324999555
  H        13.5784486637       16.7678187811       14.7732720820
  H        10.5412189943       18.9835209366       14.0030076318
  H        11.0476101833       20.6707114853       13.9634719026
  H        10.6396022271       20.3229114119       16.3198819413
  H        11.2407120818       18.6651670496       16.2678558896
  H        11.9325526021       22.1175012096       17.3867886015
  H        13.7853189256       21.9768894786       18.9723282736
  H        14.9890880387       22.1007097775       17.7000270619
  H        13.0918538747       24.2865324812       18.6946725075
  H        14.8485664532       24.2496713925       18.8069001863
  H        14.0537152418       25.8048337967       17.0145009079
  H        15.0445789267       24.5287305918       16.3379579590
  H        12.9739500470       24.8262878163       14.9477047617
  H        11.9721001380       24.5287803944       16.3673321867
  H        12.2657429282       22.4578404677       14.9405121506
  H        14.0049262720       22.5596242695       15.1732273739
  H        14.2556868597       19.6561156521       18.5092685536
  H        12.6615924496       17.2679036980       17.4358910972
  H        14.3361127294       17.6266539702       17.0074391216
  H        14.2204434454       15.9555142831       18.8730464947
  H        15.0034639905       17.4386995300       19.4090123057
  H        12.0994460600       16.5951205022       19.9486283800
  H        13.3860884468       16.7280759442       21.1396995956
  H        11.7897285317       18.6989791296       21.1709354017
  H        13.4733950589       19.1645584764       20.9131107559
  H        11.2825998877       18.9649820242       18.7710602091
  H        12.0322333878       20.4388179651       19.3754357077
  H        16.1830743942       19.5238733957       17.4050290898
  H        16.2049661191       21.8218033834       15.9743238488
  H        17.6850649366       21.4410658864       13.8383573756
  H        16.1936760822       19.7060706353       12.5159643988
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 Rh        12.6621175087        9.7946433096        4.6976588812
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  C        13.3028763615       13.7589875906        7.9413015674
  C        13.1913154562       12.3068713045        7.4548347560
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  C         5.7192860463       10.4800272259        2.9442427236
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  C         2.5744977989        7.8601495608        4.6566030589
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  F         2.6894889461        7.1590100265        9.5350100610
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  F        11.2166728007        9.0173468935       20.2232513001
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  C        11.4305967661       11.0384035546       18.1955190238
  C        11.8854826661       12.0121377300       17.3064440287
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  C        13.2471645828       10.3742861820       16.0795903614
  C        12.7749524813        9.4055580603       16.9908876815
  B        14.1582205469        9.9812890680       14.7702321286
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  C        15.7727373632       12.0485615720       15.2278355525
  C        16.7046521017       13.0186876620       14.8387389112
  C        17.0860555063       13.1517689441       13.4985408342
  C        16.5044940107       12.2893126903       12.5611850831
  C        15.5624327021       11.3337873352       12.9595383661
  C        16.8412126160       12.3983797133       11.0969865419
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  F        15.7544073567       12.8159122575       10.3461677154
  F        17.2356542930       11.1908969340       10.5617566415
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  F        16.2463317387       14.6722786141       16.4974127663
  F        18.1482598587       14.8385063969       15.4059918377
  F        17.8388342805       13.2541597245       16.9345130105
  C        13.0543756383        9.6432101392       13.5957270343
  C        12.4473743346       10.6732094668       12.8479613046
  C        11.4626218722       10.4125742464       11.8848680003
  C        11.0316349268        9.1084081931       11.6407312356
  C        11.6024834869        8.0748010977       12.3844145328
  C        12.5899287472        8.3372719761       13.3402596855
  C        11.0276597223        6.6993534247       12.2313518706
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  F        11.9226903713        5.6910952211       12.4651090635
  F        10.0065052158        6.4974076806       13.1310302384
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  F         9.7390389422       11.1770208508       10.4117385114
  F        10.6235151885       12.6608765228       11.7449057429
  F        11.7674877611       11.8862906782       10.0453040795
  C        15.1972869790        8.7426820253       15.0506487955
  C        15.8615591519        8.5684952187       16.2871898023
  C        16.8104511935        7.5571335117       16.4655059420
  C        17.1125984309        6.6637465991       15.4341032048
  C        16.4831597710        6.8317172991       14.2081039908
  C        15.5655340615        7.8686127844       14.0131620290
  C        17.4846365070        7.2664330823       17.7709630174
  F        17.6136695038        8.3286544018       18.6222741423
  F        16.7940768772        6.3143863696       18.4810954008
  F        18.7595355090        6.7892603569       17.5412149336
  C        11.3910923160       13.4254124137       17.4292981114
  F        10.7858117383       13.6681123679       18.6257321913
  F        10.4808056850       13.7342428588       16.4314575477
  F        12.4021919769       14.3399004790       17.3057695882
  F        17.6300119332        4.8709158343       13.4870162538
  F        17.3764039304        6.5265462630       12.0282344299
  F        15.6577212603        5.2685580560       12.6117828927
  C        16.7880558880        5.8813390081       13.0912005859
  H        10.7296178174       11.2926501504       18.9858885977
  H        13.0811391920       12.4696768952       15.5837324266
  H        13.0966353170        8.3716689010       16.8837255972
  H        15.5128338550       11.9694730530       16.2824340744
  H        17.7975104331       13.9134304079       13.1941232034
  H        15.1240853280       10.6898489360       12.1986810596
  H        12.7465771260       11.7065293134       13.0197693586
  H        10.2531606588        8.9035069756       10.9132979155
  H        13.0021953161        7.5005137439       13.9035289813
  H        15.6377694669        9.2343875838       17.1205725615
  H        17.8172256837        5.8541547832       15.5914264330
  H        15.1233833012        7.9885548878       13.0268991941
  F         2.7329253762       18.6351894192       20.1016191800
  C         2.7335008499       18.2904609915       18.7707432955
  F         1.4095620440       18.0808631957       18.4720715916
  F         3.3611800855       17.0872670126       18.6305763567
  C         3.3460804089       19.3562991293       17.9160897691
  C         4.1852513787       19.0335175306       16.8431524427
  C         4.6927268662       20.0193494252       15.9713502820
  C         4.2691784836       21.3367074550       16.2181135956
  C         3.4411878495       21.6643485926       17.2997130960
  C         2.9786431803       20.6807941348       18.1702390219
  C         2.9239834525       23.0645790824       17.4353909207
  F         2.2996705860       23.2918133145       18.6244679753
  F         3.9026023888       24.0241660263       17.3049344355
  F         1.9927790659       23.2931522940       16.4317507169
  B         5.6127461465       19.6408516726       14.6705491540
  C         6.6577430425       18.4197582661       14.9668690310
  C         7.2746673945       18.2865868060       16.2231911679
  C         8.2430936048       17.3095473739       16.4685707401
  C         8.6363177135       16.4138117963       15.4738634061
  C         8.0507894804       16.5439654145       14.2151326350
  C         7.0945760870       17.5364436054       13.9636287302
  C         8.4235741730       15.5969266143       13.1144096657
  F         7.3128675207       15.0304452371       12.5394111444
  F         9.2156501601       14.5691056350       13.5620964833
  F         9.1082294598       16.2277616633       12.1006912453
  C         8.7832558757       17.1552170752       17.8521165983
  F         8.9099338718       18.3673667961       18.4839613173
  F        10.0142315715       16.5639987561       17.8927865256
  F         7.9538829820       16.3794220013       18.6302193740
  C         6.6284277894       20.8575171879       14.2669149654
  C         7.2052581599       21.7076526430       15.2288665944
  C         8.1647700816       22.6677304515       14.8891110888
  C         8.5999062496       22.8148832681       13.5685317855
  C         8.0422961126       21.9747959945       12.6044005964
  C         7.0836630515       21.0169194233       12.9480867306
  C         8.4050256641       22.1122758779       11.1580984731
  F         8.8235782543       20.9054743923       10.6311472129
  F         9.3806820584       23.0322210968       10.9269004213
  F         7.3249884361       22.5146585385       10.4085980866
  C         8.6823068114       23.5857850766       15.9562855478
  F         9.6019492710       24.4692488231       15.4765461505
  F         7.6877132354       24.3578114248       16.5045647260
  F         9.2705603845       22.8897575059       17.0027944972
  C         4.5448992360       19.2823630481       13.4784574862
  C         4.0545540940       17.9794349203       13.2697565932
  C         3.0861754760       17.6948869492       12.2956353171
  C         2.5651418553       18.7102892040       11.4925319885
  C         3.0217230830       20.0175656034       11.6999886974
  C         3.9827576988       20.2950782146       12.6753440167
  C         2.4004410816       21.1143464827       10.8854219654
  F         2.3718835656       20.7824557764        9.5408485797
  F         1.0908748784       21.3340518725       11.2601056486
  F         3.0364988005       22.3170842489       10.9980465907
  C         2.5094961335       16.3089582067       12.1874070081
  F         1.9324285414       16.0519900497       10.9844969867
  F         3.4285225392       15.3140074795       12.3967229891
  F         1.5226889388       16.1211698232       13.1305485694
  H         4.4409990080       17.9874364640       16.6755620527
  H         4.5860324443       22.1323931683       15.5463863508
  H         2.3297825164       20.9331945076       19.0039760993
  H         6.9964669157       18.9608175868       17.0315270997
  H         9.3625755273       15.6335493835       15.6797051672
  H         6.6786789692       17.6135259332       12.9602604606
  H         6.8974937209       21.6291725187       16.2705975571
  H         9.3328979635       23.5682164948       13.2984989505
  H         6.6795869917       20.3815198686       12.1615325176
  H         4.4315731368       17.1610100469       13.8813981675
  H         1.8178479212       18.4901065666       10.7337934379
  H         4.3035199458       21.3262378927       12.8105579104
  F        15.6192510156        1.2741820779       -0.2927599576
  C        15.6613782113        1.6680644009        1.0283719818
  F        16.9908453864        1.8959117354        1.3189619274
  F        15.0494947703        2.8843814125        1.1023495941
  C        15.0719286933        0.6118148647        1.9262032445
  C        14.2382959135        0.9257070306        3.0069466332
  C        13.7437262099       -0.0698333439        3.8787516108
  C        14.1883900203       -1.3813146771        3.6452727284
  C        15.0054377650       -1.7041125083        2.5574911874
  C        15.4435657069       -0.7158475636        1.6752954518
  C        15.4680447406       -3.1196386608        2.3841717442
  F        16.0485032329       -3.3175670429        1.1716388188
  F        14.4480367626       -4.0416790034        2.4966779324
  F        16.4089122891       -3.4510300608        3.3549915425
  B        12.7951616323        0.2676141242        5.1691466438
  C        11.7337527275        1.4746326134        4.8544728479
  C        11.1231091231        1.5827594261        3.5893006801
  C        10.1457824329        2.5458590459        3.3226882783
  C         9.7291142358        3.4459152625        4.3076911556
  C        10.3111955446        3.3457600674        5.5682795440
  C        11.2867604711        2.3741388935        5.8379405730
  C         9.9397180816        4.3079482613        6.6585709762
  F        11.0593495502        4.8859068286        7.1936105852
  F         9.1285114030        5.3319068641        6.2351246711
  F         9.3027952937        3.6793976119        7.7007400423
  C         9.6233449808        2.7153623819        1.9307403953
  F         9.4968054373        1.5330379907        1.2491309846
  F         8.4037988081        3.3401628774        1.9039395503
  F        10.4700986388        3.4744014278        1.1646127619
  C        11.8012668330       -0.9763689847        5.5588314468
  C        11.2685679610       -1.8589708237        4.6006364992
  C        10.2997793011       -2.8138296996        4.9299746507
  C         9.8220653714       -2.9366039983        6.2378164827
  C        10.3428929884       -2.0738173330        7.2007106259
  C        11.3065940840       -1.1151111271        6.8671108036
  C         9.9453965876       -2.1886327732        8.6404524428
  F         9.5858980294       -0.9741777067        9.1687569242
  F         8.9069781213       -3.0506376865        8.8705028351
  F        11.0138108352       -2.6146702627        9.3934716725
  C         9.7538932461       -3.6999317329        3.8506859254
  F         8.8179372791       -4.5677464166        4.3253907057
  F        10.7201244998       -4.4535108854        3.2279012160
  F         9.1419345510       -2.9679154670        2.8558282397
  C        13.8563756735        0.6137053947        6.3665705992
  C        14.3474539733        1.9122526537        6.5824808044
  C        15.3238673445        2.1884047472        7.5502610255
  C        15.8593289064        1.1736591865        8.3396569395
  C        15.4107641733       -0.1322085145        8.1134812663
  C        14.4361331170       -0.4051087801        7.1500474996
  C        16.0237641092       -1.2301321710        8.9268213568
  F        16.0419772519       -0.8767748735       10.2649701232
  F        17.3295292487       -1.4917780118        8.5812350963
  F        15.3722715429       -2.4179299188        8.8052561837
  C        15.8743721392        3.5787716664        7.6446162335
  F        16.4720294322        3.8588118070        8.8443577177
  F        14.9151040761        4.5292880488        7.4122008601
  F        16.8263683820        3.7874395615        6.6717382983
  H        13.9703569895        1.9675010320        3.1781635862
  H        13.8896127434       -2.1777318837        4.3262405045
  H        16.0715424738       -0.9693831651        0.8258057813
  H        11.4175733061        0.9004917648        2.7927848561
  H         8.9883911595        4.2091845664        4.0923219175
  H        11.7118770045        2.3296286481        6.8402230634
  H        11.6112192304       -1.8053701395        3.5681507884
  H         9.0817499412       -3.6853036117        6.5006743486
  H        11.6781675219       -0.4574008587        7.6517211019
  H        13.9665554531        2.7368035123        5.9816665903
  H        16.6043281477        1.3915025266        9.1007593566
  H        14.1225057543       -1.4375609126        7.0060636261
  H        10.8028019904       11.7716078555        4.7780112569
  H        11.6234820835       10.0808054097        3.1496672545
     646
 i =       89, E =         0.0076981677
 Rh         3.6364356691        0.2362142591        4.8174869296
  P         5.3856167784        0.6383870260        6.2817037460
  C         5.2309433932       -0.2925151572        7.8731942136
  C         4.8247363549       -1.7639492004        7.6707239542
  C         4.5363501087       -2.4260165569        9.0283767704
  C         5.7218451413       -2.2973191164        9.9959754398
  C         6.1900830458       -0.8418289396       10.1412691491
  C         6.4682583730       -0.1855074264        8.7784356940
  C         5.6722927187        2.4046795240        6.7978393661
  C         4.6497581666        2.8149029627        7.8824529220
  C         4.6097800042        4.3266551520        8.1644019018
  C         4.5347232456        5.1550290046        6.8789722036
  C         5.7062613361        4.7995750022        5.9612848464
  C         5.6219277218        3.3224968734        5.5583511709
  C         6.9975301742        0.0912054264        5.5150804931
  C         6.9669552565        0.2290679327        3.9847881919
  P         5.3053414458       -0.2371714536        3.2869013373
  C         5.4501487639       -2.0252771975        2.7813508220
  C         4.3497100239       -2.4050307373        1.7706001809
  C         4.3763753387       -3.9021935873        1.4458984310
  C         4.2367402263       -4.7518326566        2.7108364200
  C         5.3613044135       -4.4280008180        3.6993137025
  C         5.4003368725       -2.9269972187        4.0366527846
  C         5.1460482904        0.7104250093        1.7046409126
  C         4.8731792787        2.2118880362        1.9205471531
  C         4.4329035238        2.8389415626        0.5870196250
  C         5.4861140699        2.6336675183       -0.5139550344
  C         5.9062818193        1.1601273848       -0.6513030743
  C         6.2997944412        0.5358214796        0.7011698836
  C         1.8767456383        0.3139612959        3.4690337559
  C         1.9040425770       -0.9390992145        4.0876910657
  C         1.0679310612       -0.8189144763        5.3749338751
  C         1.9328249967        0.1095530932        6.2539751430
  C         1.9032570505        1.3627227606        5.6410042270
  C         1.0211950818        1.2190101937        4.3836858372
  C        -0.0174532189        0.1841847478        4.8972722640
  H         4.3898943724        0.2141156247        8.3748903401
  H         5.6315536818       -2.3072632264        7.1566450690
  H         3.9421411798       -1.8240079537        7.0160790604
  H         4.2783869276       -3.4844241491        8.8813991086
  H         3.6483790767       -1.9505888097        9.4696661379
  H         5.4439424968       -2.7024098038       10.9798306598
  H         6.5577063593       -2.9129064691        9.6371017260
  H         7.0980485549       -0.7901409485       10.7601951373
  H         5.4130534258       -0.2601772245       10.6618996588
  H         6.7718678771        0.8599722900        8.9205256769
  H         7.3143192715       -0.6902976417        8.2944874869
  H         6.6871980347        2.4564380319        7.2244420994
  H         4.8774056587        2.2860188238        8.8178869822
  H         3.6467781633        2.4812436724        7.5816374277
  H         5.5087308192        4.6225530123        8.7237566385
  H         3.7531243293        4.5398830173        8.8200418196
  H         4.5273168209        6.2260199860        7.1229866842
  H         3.5902808010        4.9556090081        6.3507830389
  H         6.6532793552        4.9867685991        6.4862535634
  H         5.7202250935        5.4284577365        5.0621642236
  H         6.4336520057        3.0659135698        4.8620462240
  H         4.6795675555        3.1452777614        5.0143044730
  H         7.8348874893        0.6560726932        5.9495426338
  H         7.1395482605       -0.9599700598        5.8036070341
  H         7.7627042914       -0.3617707936        3.5086545733
  H         7.1283892959        1.2764360522        3.6928417071
  H         6.4304549054       -2.1462962808        2.2922855542
  H         4.4528185636       -1.8223403202        0.8456532259
  H         3.3627195725       -2.1508990995        2.1789456066
  H         5.3220360674       -4.1473536119        0.9412126504
  H         3.5715231720       -4.1300978531        0.7360714817
  H         4.2393663572       -5.8191115978        2.4499234892
  H         3.2596136650       -4.5595902734        3.1786177049
  H         5.2342248836       -4.9951170325        4.6338778153
  H         6.3259141644       -4.7388144962        3.2723990351
  H         6.2649477576       -2.7196891931        4.6834158331
  H         4.5054049845       -2.6599757722        4.6220296531
  H         4.2355801855        0.2783373932        1.2569267733
  H         5.7889003360        2.7073711259        2.2769710968
  H         4.1087130556        2.3616380412        2.6979033759
  H         4.2259457941        3.9099753381        0.7202629736
  H         3.4825282229        2.3764557766        0.2807922679
  H         6.3719056191        3.2452028306       -0.2885661923
  H         5.0955547696        3.0024464920       -1.4738677413
  H         6.7456442769        1.0711969611       -1.3568039150
  H         5.0722826732        0.5800178730       -1.0776461361
  H         7.1930925759        1.0398437690        1.0906856355
  H         6.5687105574       -0.5195409999        0.5663026162
  H         2.1148181988        0.5371608131        2.4328146412
  H         2.1744106231       -1.8900831202        3.6394011772
  H         0.7515118273       -1.7605190963        5.8299986006
  H         2.2195312179       -0.1122776406        7.2779964242
  H         2.1718043933        2.3160328904        6.0869530519
  H         0.6587285939        2.1501173254        3.9409323722
  H        -0.6389378859        0.5660790074        5.7136407279
  H        -0.6466867425       -0.2208996132        4.0982449537
 Rh        14.7184687184       19.6359609149       14.9728463249
  P        12.9487779791       19.2031364756       13.5261615794
  C        13.1204047821       20.1875850575       11.9631720211
  C        13.5024636328       21.6584857384       12.2115322569
  C        13.8471557632       22.3515160021       10.8828937828
  C        12.6917173832       22.2495569872        9.8774247866
  C        12.2609825213       20.7906301723        9.6673902807
  C        11.9315959497       20.0853874044       10.9960521020
  C        12.6515368188       17.4570759370       12.9458288116
  C        13.6613293444       17.0371376887       11.8559654954
  C        13.5920143722       15.5328616371       11.5493019121
  C        13.7871651982       14.7111125204       12.8260749592
  C        12.6818341868       15.0389881817       13.8340740686
  C        12.6786423054       16.5347307692       14.1849734468
  C        11.3270351724       19.6783356937       14.3383765345
  C        11.4125794699       19.6776928803       15.8768935902
  P        13.0917856422       20.1721624574       16.5183247693
  C        12.9374407671       21.9734836821       16.9608666751
  C        13.9867280182       22.4384861075       17.9943259732
  C        14.0011548379       23.9692952759       18.1655565256
  C        14.0812265145       24.7212336681       16.8325785510
  C        12.9419054766       24.2916609145       15.9068939477
  C        13.0342485146       22.7840999143       15.6512038964
  C        13.3272139808       19.2270017089       18.0956677469
  C        13.5877874910       17.7350583012       17.8069571748
  C        14.0383413365       17.0187875196       19.0878131027
  C        12.9987817204       17.1705587775       20.2091315192
  C        12.6209499310       18.6427178757       20.4513468513
  C        12.2236810606       19.3810595323       19.1557274485
  C        16.4401486364       19.6354899501       16.3556890481
  C        16.4616922575       20.8261093201       15.6214512545
  C        17.3261360616       20.5587154543       14.3737196994
  C        16.4525973624       19.5762187180       13.5624690958
  C        16.4264880140       18.3869999869       14.2922508786
  C        17.2854785289       18.6227835065       15.5524978638
  C        18.3694940216       19.5761153919       14.9752801034
  H        13.9907223644       19.7032951724       11.4884949385
  H        12.6637693507       22.1846384166       12.6911042049
  H        14.3508491056       21.7129808647       12.9109405220
  H        14.1086019100       23.4031728557       11.0647583132
  H        14.7462084197       21.8785855166       10.4603420012
  H        12.9861922714       22.6993753170        8.9176734268
  H        11.8352005397       22.8347523730       10.2406628838
  H        11.3860159879       20.7387010431        9.0027617380
  H        13.0761573220       20.2438909505        9.1675617587
  H        11.6629685509       19.0387784537       10.8048629348
  H        11.0490545633       20.5531174020       11.4508291752
  H        11.6411233217       17.4343009001       12.5055117120
  H        13.4749859732       17.6080256636       10.9360973801
  H        14.6843926856       17.2885219790       12.1722757596
  H        12.6153280991       15.2876708810       11.1066669024
  H        14.3494873904       15.2793206701       10.7939938573
  H        13.8038612301       13.6368987986       12.5954566920
  H        14.7694981819       14.9404977064       13.2666349445
  H        11.7091779127       14.7431564237       13.4173202618
  H        12.8139133582       14.4681749846       14.7631158156
  H        11.8203906369       16.7658212383       14.8345607696
  H        13.5803706646       16.7663111457       14.7742503469
  H        10.5407412959       18.9874954637       14.0000092344
  H        11.0509379864       20.6736504356       13.9636391293
  H        10.6388218979       20.3217072893       16.3191773749
  H        11.2403268295       18.6641159245       16.2653274278
  H        11.9317549739       22.1165618959       17.3878592662
  H        13.7873141027       21.9734852752       18.9704543849
  H        14.9887340924       22.1002666709       17.6961891020
  H        13.0904510638       24.2836091530       18.6947506947
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 Rh        12.6620465071        9.7955565035        4.6975018924
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  F        11.2166600602        9.0174211722       20.2233096967
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  C        13.2469823508       10.3744331430       16.0794469145
  C        12.7742092265        9.4052078578       16.9900918754
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  C        15.7718984859       12.0493334352       15.2275077200
  C        16.7043354764       13.0189142905       14.8383690330
  C        17.0861500984       13.1518622149       13.4983595811
  C        16.5047357601       12.2893089308       12.5612209417
  C        15.5630019717       11.3333996377       12.9595105582
  C        16.8415708568       12.3980504625       11.0971377786
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  F        15.7542232004       12.8160706936       10.3458555872
  F        17.2355412127       11.1911790847       10.5617129144
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  F        18.1482929474       14.8385610754       15.4059589114
  F        17.8388553062       13.2541158481       16.9344734359
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  C        11.4626223762       10.4130559257       11.8839876413
  C        11.0327952154        9.1085041366       11.6398138086
  C        11.6029325733        8.0749012347       12.3848414532
  C        12.5891790094        8.3374040316       13.3416200859
  C        11.0276061978        6.6989251061       12.2312066444
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  F        11.9229643801        5.6912421189       12.4654236168
  F        10.0063703669        6.4976154641       13.1314342529
  C        10.9011573256       11.5268953059       11.0452023862
  F         9.7390039921       11.1773506189       10.4117209819
  F        10.6232912969       12.6608227992       11.7447831005
  F        11.7668561450       11.8860341296       10.0457635179
  C        15.1968032819        8.7428811539       15.0506729074
  C        15.8610152341        8.5684523207       16.2869697017
  C        16.8104896445        7.5569296697       16.4650258040
  C        17.1127819918        6.6640834037       15.4337104567
  C        16.4834430270        6.8314200156       14.2083228374
  C        15.5651761983        7.8684882427       14.0130892236
  C        17.4847529453        7.2664627918       17.7709935792
  F        17.6136634094        8.3288617345       18.6224071238
  F        16.7939394851        6.3142472609       18.4810569328
  F        18.7594717912        6.7892599754       17.5410832105
  C        11.3912429971       13.4253652593       17.4293698803
  F        10.7858498057       13.6681948243       18.6256881690
  F        10.4808514178       13.7343113599       16.4315484543
  F        12.4021120812       14.3399483623       17.3058364051
  F        17.6294056917        4.8709903358       13.4872351847
  F        17.3760282046        6.5267273260       12.0279668114
  F        15.6574603132        5.2682255881       12.6119277179
  C        16.7885531556        5.8814293971       13.0912205002
  H        10.7309612454       11.2928111480       18.9868009121
  H        13.0820719615       12.4700103600       15.5843602076
  H        13.0947960023        8.3712363866       16.8818568320
  H        15.5110747384       11.9712032917       16.2818825292
  H        17.7976164210       13.9133902813       13.1939819325
  H        15.1254564240       10.6887181099       12.1986325401
  H        12.7466903573       11.7069889278       13.0193665082
  H        10.2552265541        8.9030765200       10.9106337273
  H        12.9995986128        7.5017138161       13.9056752524
  H        15.6369072197        9.2340394374       17.1204774183
  H        17.8176280069        5.8550076846       15.5908848362
  H        15.1225971373        7.9881623479       13.0265393662
  F         2.7328488345       18.6348956124       20.1009539065
  C         2.7341134234       18.2903773320       18.7709771603
  F         1.4086698368       18.0809908445       18.4720300877
  F         3.3617794445       17.0876551331       18.6304261666
  C         3.3455229798       19.3558108181       17.9157674907
  C         4.1851979374       19.0334115408       16.8428020087
  C         4.6925953351       20.0197971453       15.9716186829
  C         4.2699173163       21.3370399290       16.2180650289
  C         3.4411810290       21.6643509695       17.2993477996
  C         2.9780139083       20.6805226783       18.1690335072
  C         2.9239450823       23.0645991141       17.4354188081
  F         2.2997987168       23.2920605089       18.6245551396
  F         3.9024761526       24.0239356004       17.3051174583
  F         1.9926858387       23.2931093262       16.4316130132
  B         5.6128074163       19.6405768207       14.6703920859
  C         6.6571572309       18.4192143167       14.9670726108
  C         7.2741460885       18.2859473055       16.2232827241
  C         8.2429083908       17.3096038513       16.4684809560
  C         8.6369754212       16.4139201667       15.4736952752
  C         8.0505645459       16.5439117616       14.2152028496
  C         7.0939139947       17.5355780864       13.9639831747
  C         8.4234854621       15.5968921397       13.1143379507
  F         7.3129078073       15.0304943557       12.5393300782
  F         9.2158044607       14.5689804610       13.5621062928
  F         9.1081818927       16.2276642804       12.1007249141
  C         8.7832524494       17.1551964721       17.8520877893
  F         8.9099832994       18.3673237510       18.4839618285
  F        10.0143071222       16.5640557722       17.8928369376
  F         7.9538590478       16.3793706628       18.6303305917
  C         6.6286487167       20.8570423709       14.2667835517
  C         7.2057280528       21.7070595055       15.2288100535
  C         8.1647939490       22.6677970556       14.8889757154
  C         8.5993168809       22.8154192059       13.5683444973
  C         8.0420747697       21.9749385311       12.6044249879
  C         7.0836958202       21.0166398252       12.9480410706
  C         8.4048905073       22.1124306112       11.1581122774
  F         8.8236256852       20.9054014149       10.6310270041
  F         9.3806933201       23.0322556949       10.9268666195
  F         7.3249059606       22.5146343174       10.4085312982
  C         8.6821956598       23.5857427609       15.9562622283
  F         9.6019003175       24.4692157842       15.4764970162
  F         7.6877096349       24.3577783992       16.5045828642
  F         9.2705393922       22.8897230731       17.0028035971
  C         4.5446653778       19.2824125712       13.4786515743
  C         4.0543849221       17.9794942836       13.2697348841
  C         3.0858091681       17.6949175880       12.2957209293
  C         2.5644684140       18.7103998427       11.4929665305
  C         3.0212250518       20.0175404655       11.7002045686
  C         3.9824196643       20.2951637795       12.6756552475
  C         2.3999656668       21.1143989300       10.8854348665
  F         2.3720323658       20.7823855010        9.5410586442
  F         1.0908253124       21.3340187939       11.2600321771
  F         3.0366785291       22.3171565036       10.9981012976
  C         2.5094384068       16.3089979574       12.1876684439
  F         1.9323155154       16.0519265860       10.9843888337
  F         3.4285524374       15.3139837502       12.3966996721
  F         1.5227114476       16.1212238345       13.1305074417
  H         4.4409362005       17.9875503499       16.6751702955
  H         4.5872157070       22.1324904032       15.5475806151
  H         2.3275423183       20.9328436370       19.0028338788
  H         6.9954283629       18.9599165604       17.0317799718
  H         9.3636489078       15.6346286345       15.6791938926
  H         6.6771579187       17.6120635902       12.9605561370
  H         6.8984119593       21.6280826451       16.2708102113
  H         9.3314543189       23.5692974666       13.2981778766
  H         6.6797952553       20.3813117425       12.1614202729
  H         4.4315231246       17.1610610821       13.8812269503
  H         1.8166702292       18.4904687433       10.7347688087
  H         4.3029337389       21.3264667182       12.8109962543
  F        15.6191690894        1.2747472115       -0.2928193990
  C        15.6613417143        1.6679164635        1.0284139646
  F        16.9909376133        1.8961561744        1.3190406334
  F        15.0496602513        2.8843405268        1.1020322272
  C        15.0720840665        0.6117470809        1.9262428726
  C        14.2374734795        0.9256696638        3.0060327117
  C        13.7430474666       -0.0698648858        3.8777118020
  C        14.1872159024       -1.3814309981        3.6444380195
  C        15.0054151902       -1.7038333260        2.5574459395
  C        15.4447736582       -0.7155313130        1.6759813036
  C        15.4681255076       -3.1195558027        2.3841018808
  F        16.0485433595       -3.3176051444        1.1715476416
  F        14.4479988472       -4.0417294329        2.4967173299
  F        16.4090187428       -3.4511014846        3.3550122699
  B        12.7944889646        0.2682083527        5.1685882623
  C        11.7341560402        1.4752871614        4.8539164253
  C        11.1234883681        1.5837602906        3.5888116727
  C        10.1455857017        2.5465979335        3.3222254574
  C         9.7292916296        3.4466360119        4.3075428069
  C        10.3112013810        3.3465869537        5.5681099219
  C        11.2869264125        2.3747032447        5.8374771576
  C         9.9400171174        4.3083427927        6.6584919270
  F        11.0600791162        4.8857947888        7.1934713492
  F         9.1287612373        5.3318139038        6.2352532283
  F         9.3028986039        3.6794316572        7.7006729736
  C         9.6244341060        2.7167569442        1.9297668934
  F         9.4966158723        1.5327741116        1.2491145314
  F         8.4032903284        3.3398114277        1.9040138709
  F        10.4691533611        3.4737290433        1.1654834515
  C        11.8002518324       -0.9752190246        5.5583214708
  C        11.2669484060       -1.8573936509        4.5999788977
  C        10.2991815680       -2.8132160360        4.9297062966
  C         9.8220508466       -2.9363448528        6.2376682078
  C        10.3427472061       -2.0734892439        7.2005953970
  C        11.3061469215       -1.1145103905        6.8667842450
  C         9.9454344900       -2.1885083233        8.6403820180
  F         9.5859043676       -0.9742401224        9.1687717371
  F         8.9070760231       -3.0505916490        8.8704461724
  F        11.0138568533       -2.6146632183        9.3934412442
  C         9.7537492945       -3.6997684741        3.8506071832
  F         8.8179707669       -4.5677109259        4.3253732640
  F        10.7201744778       -4.4534636443        3.2280440510
  F         9.1418755945       -2.9679234193        2.8556671119
  C        13.8561512825        0.6139097853        6.3660617565
  C        14.3470555206        1.9123148580        6.5818010016
  C        15.3241295714        2.1883097510        7.5494355198
  C        15.8598975578        1.1733552582        8.3378840103
  C        15.4110290812       -0.1322355977        8.1129376812
  C        14.4354204647       -0.4051367956        7.1496792045
  C        16.0236910627       -1.2301265578        8.9264549280
  F        16.0419528196       -0.8767504049       10.2647862675
  F        17.3295485339       -1.4917998019        8.5812756171
  F        15.3723678739       -2.4178458461        8.8052696303
  C        15.8743834565        3.5787386397        7.6438535317
  F        16.4720637495        3.8587151843        8.8430560569
  F        14.9150466091        4.5292361092        7.4120518372
  F        16.8264558614        3.7874417374        6.6714312023
  H        13.9686469303        1.9673739058        3.1764903626
  H        13.8873254926       -2.1779239907        4.3244989108
  H        16.0743933944       -0.9689054031        0.8275509837
  H        11.4179948426        0.9019989272        2.7919249105
  H         8.9884387840        4.2101368880        4.0920430697
  H        11.7119011436        2.3300870047        6.8397214414
  H        11.6084222636       -1.8026566138        3.5671851412
  H         9.0820446622       -3.6853380103        6.5006330138
  H        11.6780526075       -0.4569276139        7.6514278078
  H        13.9660983709        2.7370004540        5.9814695518
  H        16.6064726532        1.3911513387        9.0981893135
  H        14.1211531629       -1.4371941683        7.0063425260
  H        10.8035610679       11.7709080292        4.7758558821
  H        11.6215437493       10.0796054460        3.1478290051
     646
 i =       90, E =         0.0016780051
 Rh         3.6368456840        0.2363905402        4.8175744219
  P         5.3857495674        0.6383758790        6.2820291193
  C         5.2307449471       -0.2932760274        7.8729535672
  C         4.8253636530       -1.7650416504        7.6704709098
  C         4.5363274171       -2.4266447483        9.0280605111
  C         5.7217880568       -2.2983751955        9.9956226880
  C         6.1898644469       -0.8429182856       10.1411887734
  C         6.4677865462       -0.1861602358        8.7786389507
  C         5.6721279959        2.4047455216        6.7983010023
  C         4.6490140218        2.8153073666        7.8821974888
  C         4.6105660143        4.3268914814        8.1646016501
  C         4.5351433405        5.1555582558        6.8794375991
  C         5.7056256097        4.7998399336        5.9606054723
  C         5.6223759175        3.3224873732        5.5586405931
  C         6.9976688319        0.0911875696        5.5154677961
  C         6.9673530649        0.2289488655        3.9850730487
  P         5.3056474290       -0.2371171249        3.2873171374
  C         5.4510276464       -2.0251913621        2.7819018793
  C         4.3513650045       -2.4047825964        1.7702709754
  C         4.3765518405       -3.9021151896        1.4465515269
  C         4.2371168473       -4.7515139640        2.7116780365
  C         5.3622138354       -4.4277814960        3.6996802050
  C         5.4008697202       -2.9268792309        4.0372952117
  C         5.1449268071        0.7100412384        1.7049417353
  C         4.8717177524        2.2114925623        1.9206881216
  C         4.4328210339        2.8391139710        0.5870269795
  C         5.4867335455        2.6339146657       -0.5131531176
  C         5.9057623947        1.1601901004       -0.6511107221
  C         6.2982293120        0.5348095993        0.7011340781
  C         1.8770989586        0.3140497047        3.4693313348
  C         1.9043202100       -0.9386820367        4.0881837552
  C         1.0684086522       -0.8180738583        5.3755293148
  C         1.9336501225        0.1104332836        6.2544797529
  C         1.9041909710        1.3636781380        5.6409276291
  C         1.0218379666        1.2195497466        4.3837485744
  C        -0.0166918992        0.1849760693        4.8975457580
  H         4.3892162475        0.2128126572        8.3746393928
  H         5.6330266113       -2.3080390055        7.1573711409
  H         3.9434110729       -1.8258885386        7.0149293645
  H         4.2775488487       -3.4850045349        8.8813845643
  H         3.6486252006       -1.9505256327        9.4692568827
  H         5.4440373000       -2.7037936659       10.9794904853
  H         6.5576505080       -2.9139809268        9.6365266735
  H         7.0979541862       -0.7911572948       10.7600702529
  H         5.4127758370       -0.2616120305       10.6621029871
  H         6.7710611023        0.8594483396        8.9209352318
  H         7.3140189178       -0.6905256684        8.2944506532
  H         6.6867819232        2.4565802881        7.2256210645
  H         4.8751481039        2.2856303031        8.8175993312
  H         3.6459515874        2.4829268687        7.5802425265
  H         5.5102175451        4.6218913918        8.7234059618
  H         3.7545809642        4.5407992214        8.8209798616
  H         4.5286846442        6.2265502308        7.1237083197
  H         3.5899863357        4.9570344530        6.3520736268
  H         6.6532617490        4.9886433898        6.4839385975
  H         5.7176199215        5.4278937139        5.0607293130
  H         6.4349711073        3.0661496302        4.8631595170
  H         4.6806693335        3.1444260648        5.0137145127
  H         7.8351020524        0.6558663622        5.9500787739
  H         7.1394008525       -0.9599681836        5.8039897685
  H         7.7628450308       -0.3624363034        3.5092980497
  H         7.1294779294        1.2762305068        3.6929853118
  H         6.4317660324       -2.1460609868        2.2935822725
  H         4.4567827729       -1.8230639280        0.8448786982
  H         3.3641621552       -2.1486607863        2.1768983941
  H         5.3216922628       -4.1482720767        0.9412817234
  H         3.5710494699       -4.1296947119        0.7372315548
  H         4.2396084821       -5.8187843534        2.4507649153
  H         3.2603391993       -4.5591702943        3.1799101783
  H         5.2357892847       -4.9951671579        4.6341008517
  H         6.3266921917       -4.7381691889        3.2721490176
  H         6.2653115765       -2.7194527933        4.6841757940
  H         4.5058368235       -2.6600835557        4.6224293707
  H         4.2342202798        0.2776087353        1.2580114885
  H         5.7868981887        2.7070444517        2.2784946914
  H         4.1062425094        2.3607913420        2.6972465480
  H         4.2261343239        3.9102215883        0.7206254417
  H         3.4824375896        2.3771957335        0.2797497762
  H         6.3728189069        3.2446848414       -0.2867109229
  H         5.0972055669        3.0036310849       -1.4732313551
  H         6.7454397596        1.0708491357       -1.3561961430
  H         5.0714636747        0.5810267154       -1.0782003420
  H         7.1923447016        1.0372826384        1.0909572970
  H         6.5655374197       -0.5209000965        0.5657699099
  H         2.1148768118        0.5370168123        2.4327217538
  H         2.1744569643       -1.8899335050        3.6399390646
  H         0.7519862488       -1.7594267824        5.8310276044
  H         2.2207907104       -0.1111469004        7.2779454854
  H         2.1733506069        2.3168283904        6.0861734671
  H         0.6595620744        2.1507404112        3.9408295216
  H        -0.6385923755        0.5671506390        5.7137633538
  H        -0.6459490390       -0.2203206706        4.0984574926
 Rh        14.7184409613       19.6359434119       14.9730734748
  P        12.9492999371       19.2033193239       13.5262307652
  C        13.1210851819       20.1876700517       11.9632397167
  C        13.5026456837       21.6587549007       12.2114179465
  C        13.8471798363       22.3518132555       10.8830209923
  C        12.6917510331       22.2498643289        9.8776269692
  C        12.2606329060       20.7910697314        9.6677557427
  C        11.9319590710       20.0857068284       10.9964091231
  C        12.6523164161       17.4568802674       12.9469348991
  C        13.6621756003       17.0370815868       11.8571100157
  C        13.5927536018       15.5329890451       11.5497776196
  C        13.7869643354       14.7104161455       12.8261289650
  C        12.6818861747       15.0387319375       13.8342257077
  C        12.6797482701       16.5342644096       14.1858956672
  C        11.3275410314       19.6796393709       14.3375984908
  C        11.4122945131       19.6773487443       15.8760376706
  P        13.0913418017       20.1719259770       16.5178770833
  C        12.9364834283       21.9731017004       16.9605536784
  C        13.9867341882       22.4373618271       17.9932864432
  C        14.0006269488       23.9678115284       18.1660280641
  C        14.0816528717       24.7203547910       16.8334527166
  C        12.9423037367       24.2920796491       15.9071375780
  C        13.0320790100       22.7843727365       15.6512129388
  C        13.3274688094       19.2270171912       18.0951917661
  C        13.5886732487       17.7350754689       17.8069537242
  C        14.0381825490       17.0189052267       19.0882172137
  C        12.9978860226       17.1710012588       20.2087809920
  C        12.6212651496       18.6433555525       20.4509951208
  C        12.2240165265       19.3813269095       19.1552433715
  C        16.4406726655       19.6348255180       16.3558315721
  C        16.4619436739       20.8259546203       15.6217902032
  C        17.3258889782       20.5586000513       14.3735888462
  C        16.4520059050       19.5763815882       13.5624277704
  C        16.4261717852       18.3869816272       14.2919500815
  C        17.2856170968       18.6224547756       15.5517705990
  C        18.3693767483       19.5759373853       14.9745095866
  H        13.9914825152       19.7035875373       11.4882185459
  H        12.6635870668       22.1845139713       12.6908531729
  H        14.3509056990       21.7137640699       12.9112197209
  H        14.1084251706       23.4037226213       11.0649761749
  H        14.7464703709       21.8793255406       10.4603114602
  H        12.9861544532       22.6995790704        8.9176984483
  H        11.8353575915       22.8353912010       10.2408663822
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 Rh        12.6620475698        9.7961726891        4.6974402953
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  C        13.3009691015       13.7582312541        7.9395624524
  C        13.1906588937       12.3060061992        7.4538608530
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  F         7.3492735584       10.8243015011       -0.2344506078
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  C         5.7204883147       10.4802054276        2.9456356332
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  F         2.6878713799        7.1587120786        9.5349465501
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  F         0.1934055362        5.0738211133        4.3299555041
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  C         1.1070141693       12.3797976371        1.9152222616
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  F         1.8933013011       13.1556236155        1.0970429764
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  F         7.4988305423        5.8844966209        3.2979161096
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  F         2.6780136437       14.5683094217        7.1193461624
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  H         5.1017879358        7.3394992986        4.0552381896
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  H         3.1917362681       11.9224683485        6.8044282997
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  F        11.2164137577        9.0175661561       20.2234331185
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  C        11.4315857410       11.0388248269       18.1961633744
  C        11.8859744382       12.0119092938       17.3071022408
  C        12.7671282991       11.6829983035       16.2680137734
  C        13.2469404478       10.3739611628       16.0793846194
  C        12.7735191622        9.4054215066       16.9895911124
  B        14.1585489132        9.9810989278       14.7701871555
  C        15.1626509220       11.1866535761       14.3006344484
  C        15.7714085017       12.0499513627       15.2272321616
  C        16.7042836355       13.0192373992       14.8381696670
  C        17.0862389337       13.1519296258       13.4982538553
  C        16.5046314506       12.2890008142       12.5614234363
  C        15.5633111371       11.3330063221       12.9595563616
  C        16.8419361825       12.3980096872       11.0973018913
  F        17.8573254672       13.2701893121       10.8524090975
  F        15.7540573507       12.8161139422       10.3455793049
  F        17.2355053923       11.1911936058       10.5615972030
  C        17.2395341001       13.9418320708       15.8972694156
  F        16.2462816324       14.6723588312       16.4975065610
  F        18.1483734897       14.8384774543       15.4059199574
  F        17.8388161904       13.2541805970       16.9343432745
  C        13.0532458387        9.6427510160       13.5957501065
  C        12.4470690193       10.6732686750       12.8472279434
  C        11.4630757418       10.4131965683       11.8838437044
  C        11.0334905441        9.1086621438       11.6390372290
  C        11.6033029467        8.0753760575       12.3850774477
  C        12.5885802939        8.3375822849       13.3424971456
  C        11.0274798040        6.6989301198       12.2311812864
  F        10.4970652828        6.4946531063       10.9939983615
  F        11.9231207826        5.6908668750       12.4653105108
  F        10.0061427636        6.4973937490       13.1315055881
  C        10.9003940475       11.5263940225       11.0456840567
  F         9.7395606516       11.1780323807       10.4118528804
  F        10.6245177423       12.6600784622       11.7435241804
  F        11.7662933843       11.8880149152       10.0462973021
  C        15.1958619899        8.7440004135       15.0513738850
  C        15.8608430035        8.5682778544       16.2870435602
  C        16.8099639307        7.5575112634       16.4648426458
  C        17.1135813578        6.6637144521       15.4340508789
  C        16.4839538503        6.8308579978       14.2073580532
  C        15.5654775871        7.8679799206       14.0138107890
  C        17.4846473101        7.2663794160       17.7712163641
  F        17.6136161664        8.3290648388       18.6224446491
  F        16.7937166849        6.3141537505       18.4809673002
  F        18.7598298135        6.7890169871       17.5410147503
  C        11.3913136770       13.4253763707       17.4293636665
  F        10.7858972106       13.6682744715       18.6256446878
  F        10.4809803063       13.7344310883       16.4316345295
  F        12.4020657377       14.3400700339       17.3057708634
  F        17.6316039299        4.8726049660       13.4880270848
  F        17.3770521200        6.5267910444       12.0288349465
  F        15.6561420898        5.2703975459       12.6111476066
  C        16.7876734510        5.8805757132       13.0909826659
  H        10.7320613729       11.2928619471       18.9872897996
  H        13.0827053710       12.4701832077       15.5848168563
  H        13.0935462535        8.3707046881       16.8804931826
  H        15.5097983000       11.9724065426       16.2817269112
  H        17.7977210227       13.9133622612       13.1939114671
  H        15.1265387081       10.6880763704       12.1988407715
  H        12.7467247780       11.7070903026       13.0190543789
  H        10.2567765081        8.9027558932       10.9088329245
  H        12.9978464835        7.5023613666       13.9073215936
  H        15.6363779878        9.2335328639       17.1200072253
  H        17.8176250597        5.8559442442       15.5903175857
  H        15.1216038059        7.9879701545       13.0254118329
  F         2.7309592735       18.6308260992       20.1009522849
  C         2.7335347220       18.2928793292       18.7686822004
  F         1.4106320578       18.0784569716       18.4753309651
  F         3.3575897439       17.0871141159       18.6330303999
  C         3.3470897413       19.3565763684       17.9130187062
  C         4.1849130112       19.0326495133       16.8429397841
  C         4.6916923955       20.0177647651       15.9734367776
  C         4.2696156913       21.3368020938       16.2193815348
  C         3.4408769333       21.6638288221       17.2997036105
  C         2.9768298230       20.6795577131       18.1692466881
  C         2.9240615716       23.0643988538       17.4348828029
  F         2.3000916711       23.2923497928       18.6241069821
  F         3.9022271988       24.0243474015       17.3053773368
  F         1.9927417623       23.2935840215       16.4320245193
  B         5.6131672257       19.6406037187       14.6696731905
  C         6.6566855837       18.4187523992       14.9671831859
  C         7.2736351701       18.2857576846       16.2234152782
  C         8.2433294285       17.3089589554       16.4682718712
  C         8.6369254716       16.4146150201       15.4734436673
  C         8.0509187969       16.5435102303       14.2156263010
  C         7.0930486677       17.5353719548       13.9639331653
  C         8.4235225292       15.5968009364       13.1143920035
  F         7.3129822548       15.0305916889       12.5390320261
  F         9.2157708701       14.5691048530       13.5620803574
  F         9.1080933601       16.2276605251       12.1005842677
  C         8.7832114716       17.1553355315       17.8520887438
  F         8.9102405250       18.3673940405       18.4839854425
  F        10.0141125299       16.5640274016       17.8927461788
  F         7.9540215968       16.3792847760       18.6302245052
  C         6.6290024774       20.8567380522       14.2665969694
  C         7.2061139539       21.7066487275       15.2287423023
  C         8.1646582845       22.6676562168       14.8889706314
  C         8.5988497890       22.8157036423       13.5681749761
  C         8.0417166262       21.9747966764       12.6045192786
  C         7.0838111087       21.0164852277       12.9478814762
  C         8.4049166832       22.1124358306       11.1580580388
  F         8.8236289427       20.9055304557       10.6310714353
  F         9.3806724839       23.0322024729       10.9265456183
  F         7.3251565136       22.5146683005       10.4084007112
  C         8.6822499086       23.5857992818       15.9562300610
  F         9.6019125958       24.4692101404       15.4765210730
  F         7.6877331337       24.3578777077       16.5044996226
  F         9.2706887341       22.8897199530       17.0027715502
  C         4.5446879725       19.2826402679       13.4789515321
  C         4.0540934727       17.9795411504       13.2694740573
  C         3.0855216419       17.6951073000       12.2956106199
  C         2.5638964466       18.7104344757       11.4931137011
  C         3.0209775552       20.0174798836       11.7004525042
  C         3.9820669098       20.2951595741       12.6756864447
  C         2.4001740810       21.1142758702       10.8855303783
  F         2.3721194273       20.7828488508        9.5411706998
  F         1.0906616358       21.3342977154       11.2599515481
  F         3.0363336649       22.3171491890       10.9975483446
  C         2.5094144201       16.3089789008       12.1874793094
  F         1.9325919207       16.0521047435       10.9846362110
  F         3.4285154212       15.3140716560       12.3965210336
  F         1.5225703124       16.1211705765       13.1304867921
  H         4.4406089952       17.9893321821       16.6750024496
  H         4.5887789207       22.1342790173       15.5470221911
  H         2.3264981908       20.9327671134       19.0012860130
  H         6.9947019519       18.9592967943       17.0319600478
  H         9.3646472321       15.6352202244       15.6788769985
  H         6.6762062204       17.6110246851       12.9609820795
  H         6.8991531874       21.6272992025       16.2709351905
  H         9.3306003104       23.5702175146       13.2978946122
  H         6.6800273408       20.3812207476       12.1614317468
  H         4.4316243499       17.1609187677       13.8812485444
  H         1.8160650664       18.4907454363       10.7356083329
  H         4.3026016555       21.3266358614       12.8113046071
  F        15.6180239430        1.2753932203       -0.2928609663
  C        15.6617071791        1.6679761691        1.0288222330
  F        16.9912537024        1.8959913147        1.3185477379
  F        15.0493147060        2.8841181693        1.1009010188
  C        15.0719985699        0.6116406716        1.9262332119
  C        14.2368850839        0.9257023692        3.0054218100
  C        13.7425597368       -0.0699872497        3.8770074187
  C        14.1864536950       -1.3814351490        3.6436788717
  C        15.0053156756       -1.7036788644        2.5575932699
  C        15.4457245930       -0.7155012960        1.6764603956
  C        15.4679753551       -3.1193304969        2.3839028553
  F        16.0485145935       -3.3177682582        1.1717230484
  F        14.4480414631       -4.0417732906        2.4967734395
  F        16.4091467804       -3.4513417152        3.3551075272
  B        12.7941046189        0.2684910472        5.1681042604
  C        11.7343198331        1.4760551441        4.8539914689
  C        11.1234359519        1.5847389472        3.5883807219
  C        10.1457161999        2.5470799640        3.3216588204
  C         9.7291408385        3.4472869816        4.3072216548
  C        10.3117695367        3.3466591343        5.5683447689
  C        11.2870008648        2.3751789512        5.8372076714
  C         9.9403297036        4.3085952245        6.6585825494
  F        11.0607202873        4.8856527316        7.1933302602
  F         9.1287208614        5.3320283970        6.2353050854
  F         9.3030483015        3.6794201500        7.7005412606
  C         9.6238900271        2.7164795256        1.9299266136
  F         9.4971891407        1.5326849172        1.2491149266
  F         8.4038063794        3.3408167812        1.9041470521
  F        10.4692749326        3.4740858078        1.1652913601
  C        11.7994284969       -0.9744536787        5.5580695467
  C        11.2657730108       -1.8562513057        4.5996765260
  C        10.2987148018       -2.8127586154        4.9295143511
  C         9.8219832996       -2.9362544840        6.2377185302
  C        10.3427034048       -2.0732189835        7.2003914019
  C        11.3058583805       -1.1140218987        6.8666365767
  C         9.9454842420       -2.1884464396        8.6402854990
  F         9.5856270331       -0.9742878045        9.1688179106
  F         8.9070704651       -3.0504597917        8.8706026223
  F        11.0137424221       -2.6146882570        9.3934471332
  C         9.7535762819       -3.6997079072        3.8504822329
  F         8.8179040256       -4.5676100816        4.3254969119
  F        10.7200925090       -4.4534059138        3.2279618751
  F         9.1417995073       -2.9678486904        2.8557056237
  C        13.8558271293        0.6136240572        6.3656689534
  C        14.3472472934        1.9126636698        6.5817254899
  C        15.3238208055        2.1882685598        7.5483006255
  C        15.8610241167        1.1735172930        8.3373305542
  C        15.4104088421       -0.1328640945        8.1118568922
  C        14.4354628039       -0.4046204610        7.1498914038
  C        16.0237638402       -1.2300331204        8.9263770283
  F        16.0417978028       -0.8767918851       10.2646937686
  F        17.3295206202       -1.4919205005        8.5813038259
  F        15.3722851191       -2.4178333128        8.8052616799
  C        15.8741822654        3.5784183938        7.6430439849
  F        16.4722782155        3.8588010431        8.8420292059
  F        14.9149341409        4.5292567248        7.4119709109
  F        16.8265940281        3.7873898985        6.6711354472
  H        13.9674381983        1.9672308077        3.1752927117
  H        13.8856279555       -2.1781281892        4.3233021309
  H        16.0764039868       -0.9685731350        0.8288423014
  H        11.4183762237        0.9029164124        2.7911451707
  H         8.9884757566        4.2107806064        4.0918233733
  H        11.7118045272        2.3304212209        6.8391319945
  H        11.6064325096       -1.8007204501        3.5663546225
  H         9.0823295527       -3.6853777113        6.5005927910
  H        11.6778893433       -0.4566637674        7.6511204924
  H        13.9657072965        2.7371467789        5.9812526105
  H        16.6076518697        1.3907921816        9.0960417461
  H        14.1200946491       -1.4372269185        7.0065094889
  H        10.8040321689       11.7705153063        4.7741608123
  H        11.6202354684       10.0787150892        3.1465151336
     646
 i =       91, E =         0.0000237238
 Rh         3.6369253873        0.2364304784        4.8176363923
  P         5.3857712757        0.6383727751        6.2820515062
  C         5.2307036902       -0.2934122993        7.8729717718
  C         4.8254713649       -1.7652007956        7.6703716871
  C         4.5363009781       -2.4268034234        9.0280146368
  C         5.7218039674       -2.2986035323        9.9955802320
  C         6.1898549587       -0.8431143414       10.1412065731
  C         6.4677278270       -0.1862473197        8.7786385967
  C         5.6721186403        2.4047641325        6.7983977758
  C         4.6488855097        2.8153398999        7.8821608346
  C         4.6107110646        4.3269503625        8.1646779084
  C         4.5351776629        5.1556516110        6.8795073444
  C         5.7055411304        4.7999263172        5.9604599026
  C         5.6224521212        3.3224404589        5.5586649967
  C         6.9977006677        0.0912171143        5.5155237563
  C         6.9674257784        0.2289711990        3.9851287721
  P         5.3056895266       -0.2371261534        3.2873798207
  C         5.4512054025       -2.0251844401        2.7820045355
  C         4.3516580792       -2.4047158558        1.7702038097
  C         4.3765787752       -3.9021327080        1.4466371171
  C         4.2372351800       -4.7514582496        2.7118300429
  C         5.3623584925       -4.4277329202        3.6997212497
  C         5.4009879810       -2.9268594480        4.0373661403
  C         5.1447361747        0.7099878138        1.7049781174
  C         4.8714666748        2.2114108608        1.9207493983
  C         4.4327616601        2.8391641280        0.5870288717
  C         5.4868434424        2.6339870238       -0.5130507559
  C         5.9056700768        1.1601903338       -0.6510866796
  C         6.2979676912        0.5346408236        0.7011364205
  C         1.8771917265        0.3141726379        3.4692179373
  C         1.9043954936       -0.9387607826        4.0882812613
  C         1.0685348515       -0.8179139942        5.3756849638
  C         1.9337250229        0.1107462460        6.2542775681
  C         1.9043192803        1.3635979937        5.6409124246
  C         1.0219808114        1.2196947557        4.3837794313
  C        -0.0166792537        0.1851285266        4.8976505118
  H         4.3891328541        0.2125714488        8.3745815274
  H         5.6332897985       -2.3081790342        7.1574885373
  H         3.9436513202       -1.8262058464        7.0147358696
  H         4.2774286886       -3.4850874867        8.8813685285
  H         3.6486730014       -1.9505323268        9.4691695196
  H         5.4440613893       -2.7040364439       10.9793985119
  H         6.5576289747       -2.9141568258        9.6364217751
  H         7.0979265995       -0.7913544150       10.7600385636
  H         5.4127324473       -0.2618670119       10.6621449362
  H         6.7709201829        0.8593390445        8.9210199861
  H         7.3139761195       -0.6905560483        8.2944619708
  H         6.6866970409        2.4566036355        7.2258216998
  H         4.8747496317        2.2855658862        8.8175364396
  H         3.6458124104        2.4832248700        7.5800016012
  H         5.5104837985        4.6217604393        8.7233302535
  H         3.7548568029        4.5409538586        8.8211413984
  H         4.5289282826        6.2266234841        7.1238316915
  H         3.5899580110        4.9572704485        6.3523183524
  H         6.6532463634        4.9889576458        6.4835258983
  H         5.7171615348        5.4277671254        5.0605078885
  H         6.4351808398        3.0661905447        4.8633637622
  H         4.6808649318        3.1442735876        5.0136233752
  H         7.8351405491        0.6558320167        5.9501617349
  H         7.1393904317       -0.9599860436        5.8040562041
  H         7.7628826692       -0.3625494791        3.5093969720
  H         7.1296592889        1.2761785325        3.6930149081
  H         6.4320024580       -2.1460161701        2.2938071543
  H         4.4574613146       -1.8232075394        0.8447567868
  H         3.3644272843       -2.1482882244        2.1765431007
  H         5.3216398715       -4.1484423167        0.9412993516
  H         3.5709841154       -4.1296163961        0.7374416094
  H         4.2396476302       -5.8187310040        2.4509193553
  H         3.2604541180       -4.5590798667        3.1801462295
  H         5.2360778895       -4.9951861279        4.6341541331
  H         6.3268440572       -4.7380579560        3.2720945451
  H         6.2653905868       -2.7194048860        4.6843177670
  H         4.5058981271       -2.6600970334        4.6225014426
  H         4.2339906811        0.2774749078        1.2582010808
  H         5.7865380531        2.7069833569        2.2787547132
  H         4.1058269870        2.3606343987        2.6971205076
  H         4.2261646082        3.9102368093        0.7206897623
  H         3.4824421664        2.3773292692        0.2795772618
  H         6.3729713054        3.2445831686       -0.2863687558
  H         5.0975144101        3.0038412340       -1.4730799999
  H         6.7453865358        1.0707941137       -1.3560952806
  H         5.0713187364        0.5812145653       -1.0782886684
  H         7.1922086511        1.0368327594        1.0909884373
  H         6.5649905461       -0.5211371247        0.5656675594
  H         2.1148809415        0.5369599638        2.4327998955
  H         2.1744639834       -1.8898655689        3.6400541338
  H         0.7520627340       -1.7592542252        5.8312015258
  H         2.2210419223       -0.1109829935        7.2781073364
  H         2.1736280835        2.3170609216        6.0860781769
  H         0.6597123462        2.1508112918        3.9408120039
  H        -0.6384687391        0.5673152304        5.7137448454
  H        -0.6458079710       -0.2202115473        4.0985292610
 Rh        14.7184514528       19.6359493850       14.9731258021
  P        12.9493609668       19.2033569749       13.5262555731
  C        13.1212130393       20.1876792396       11.9632044537
  C        13.5026947353       21.6587864452       12.2115116279
  C        13.8472160923       22.3519491049       10.8830142411
  C        12.6917116439       22.2499620299        9.8776468395
  C        12.2605277720       20.7911574714        9.6678007807
  C        11.9319907473       20.0857173648       10.9965019342
  C        12.6524152071       17.4568445055       12.9471070925
  C        13.6622960231       17.0370920307       11.8572796759
  C        13.5928950832       15.5330130096       11.5498540350
  C        13.7869387996       14.7102900203       12.8261439115
  C        12.6819044948       15.0386704062       13.8342764379
  C        12.6799148399       16.5342146202       14.1860731067
  C        11.3276169206       19.6798432378       14.3374511140
  C        11.4122398528       19.6772459351       15.8759168028
  P        13.0912427982       20.1718860171       16.5177995959
  C        12.9362643479       21.9730440217       16.9605383528
  C        13.9867133122       22.4371321754       17.9931397118
  C        14.0005378037       23.9675675299       18.1661188925
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  F         2.6780016713       14.5681144955        7.1194495482
  C         1.5258053543       13.9959177388        6.6380542706
  H         7.7442400213        8.6113600589        0.9119524010
  H         5.1020866863        7.3395352274        4.0555155690
  H         5.4525817662       11.5232404366        3.1085864994
  H         2.8012568212        7.9495157610        3.5950338920
  H         0.5891164511        5.9736776075        6.7160348194
  H         3.3067796744        9.1756697462        7.6798738007
  H         5.6029546594        8.1689342472        6.7023871433
  H         8.0421376711       10.8344292696        9.0346688101
  H         5.4643332042       12.3867930440        5.9502711799
  H         2.8991714094       10.6070769712        2.7228954954
  H         0.5660156939       13.9602778742        4.0687634362
  H         3.1921185759       11.9226272226        6.8046278829
  F         9.9831089061        8.3889267356       18.4855810566
  C        11.2760465008        8.6563712891       18.8869807295
  F        11.9351307335        7.4695195043       18.8445264996
  F        11.2165015340        9.0175145841       20.2233132145
  C        11.8830893629        9.7257206175       18.0223850588
  C        11.4317515058       11.0383679446       18.1962393952
  C        11.8860728642       12.0122663892       17.3069255011
  C        12.7672269501       11.6825656409       16.2681108477
  C        13.2468901124       10.3744630492       16.0792565019
  C        12.7735421358        9.4049573363       16.9894736011
  B        14.1583083908        9.9812317908       14.7701158257
  C        15.1626359997       11.1867192728       14.3008975611
  C        15.7712710112       12.0499935463       15.2271376364
  C        16.7042062893       13.0192544684       14.8382157532
  C        17.0861907235       13.1518766008       13.4982212545
  C        16.5047981216       12.2891278727       12.5613504756
  C        15.5633613106       11.3329305165       12.9594551087
  C        16.8417467971       12.3980243552       11.0971890640
  F        17.8573509379       13.2702238464       10.8525387750
  F        15.7541725455       12.8160734588       10.3457422158
  F        17.2355384698       11.1911606175       10.5616406414
  C        17.2395584785       13.9418643025       15.8972412288
  F        16.2462570844       14.6723788505       16.4975054045
  F        18.1483389706       14.8385026532       15.4059322189
  F        17.8388160677       13.2541559580       16.9343520009
  C        13.0533852079        9.6429256746       13.5959180622
  C        12.4471938428       10.6733948744       12.8473218262
  C        11.4629498001       10.4130105981       11.8836681836
  C        11.0336561228        9.1085690258       11.6389725467
  C        11.6030402787        8.0752161726       12.3848795870
  C        12.5883689791        8.3376895348       13.3425222882
  C        11.0275614393        6.6989710067       12.2312267125
  F        10.4971346176        6.4947262086       10.9941006478
  F        11.9229810108        5.6910258527       12.4652941571
  F        10.0062472546        6.4974574884       13.1314080244
  C        10.9007774259       11.5265185907       11.0454508518
  F         9.7392577256       11.1776989875       10.4117066576
  F        10.6240647365       12.6604855101       11.7440505466
  F        11.7665440882       11.8873588495       10.0460604941
  C        15.1962262129        8.7434178737       15.0511130095
  C        15.8605140369        8.5685477354       16.2869419741
  C        16.8103878516        7.5570280016       16.4648593264
  C        17.1129417145        6.6644084890       15.4335652365
  C        16.4840627990        6.8309242804       14.2080698183
  C        15.5649366724        7.8683263771       14.0132702444
  C        17.4846161943        7.2664655928       17.7710890028
  F        17.6136432159        8.3289617668       18.6224211908
  F        16.7938057752        6.3142123053       18.4809888357
  F        18.7596583236        6.7891272409       17.5410316671
  C        11.3913247953       13.4253476788       17.4294194228
  F        10.7858735052       13.6682508837       18.6256767010
  F        10.4809462071       13.7343543681       16.4316010635
  F        12.4021026521       14.3400349623       17.3057814004
  F        17.6308468542        4.8720964292       13.4877035238
  F        17.3767375493        6.5266775907       12.0286530339
  F        15.6565820008        5.2695272682       12.6113344168
  C        16.7879749844        5.8809199809       13.0909123415
  H        10.7321438006       11.2929215029       18.9874876477
  H        13.0828162819       12.4703049547       15.5848423906
  H        13.0932624396        8.3708249077       16.8802979221
  H        15.5096062532       11.9726068485       16.2816157412
  H        17.7977540722       13.9133810543       13.1938747324
  H        15.1266788197       10.6879154930       12.1988139893
  H        12.7467156284       11.7070365688       13.0190009616
  H        10.2570998211        8.9027230310       10.9086027383
  H        12.9976432611        7.5023207788       13.9077038283
  H        15.6362965017        9.2335377959       17.1201090896
  H        17.8180628971        5.8556529499       15.5903883002
  H        15.1217668967        7.9878392620       13.0259634315
  F         2.7316775478       18.6324410044       20.1009208260
  C         2.7335742015       18.2919170406       18.7693678438
  F         1.4100460602       18.0793017674       18.4741268450
  F         3.3589811527       17.0872407764       18.6320432420
  C         3.3460339809       19.3566007759       17.9142248430
  C         4.1852136717       19.0327517571       16.8424909885
  C         4.6920268294       20.0185431641       15.9728219878
  C         4.2701315801       21.3369146050       16.2187564278
  C         3.4405783973       21.6638629414       17.3000278226
  C         2.9771971972       20.6797957442       18.1684714023
  C         2.9240468063       23.0645032888       17.4349839578
  F         2.2999639438       23.2921520101       18.6242354274
  F         3.9023220998       24.0242282227       17.3052592621
  F         1.9927221779       23.2934358214       16.4319123472
  B         5.6129951410       19.6405269428       14.6699988991
  C         6.6565798175       18.4187394685       14.9671413230
  C         7.2738185904       18.2853702520       16.2234138494
  C         8.2428905743       17.3095450104       16.4685049358
  C         8.6374899969       16.4141066290       15.4735404791
  C         8.0504046234       16.5438576114       14.2151804467
  C         7.0933192832       17.5349403861       13.9642122184
  C         8.4235436097       15.5968235599       13.1144029997
  F         7.3129541838       15.0305593926       12.5391713697
  F         9.2157976553       14.5690092906       13.5620821010
  F         9.1081087489       16.2276791627       12.1006552283
  C         8.7832771353       17.1552516048       17.8520573132
  F         8.9101185884       18.3673775159       18.4839498978
  F        10.0141918470       16.5640192271       17.8927912399
  F         7.9539464487       16.3793305447       18.6302546528
  C         6.6290201526       20.8567193227       14.2666714375
  C         7.2061023854       21.7065089309       15.2288154942
  C         8.1647027401       22.6677088229       14.8889514273
  C         8.5987592001       22.8157592025       13.5682005615
  C         8.0418198717       21.9749307421       12.6044021249
  C         7.0837550614       21.0163973733       12.9479357003
  C         8.4048940364       22.1124238682       11.1580886109
  F         8.8236233977       20.9055160923       10.6310783520
  F         9.3806709422       23.0322203232       10.9266747595
  F         7.3250581617       22.5146742662       10.4084220638
  C         8.6822209717       23.5857577695       15.9562438617
  F         9.6019081602       24.4692145580       15.4765142571
  F         7.6877275649       24.3578524931       16.5045235183
  F         9.2706329753       22.8897311829       17.0027654536
  C         4.5445302147       19.2825619763       13.4788319160
  C         4.0542121227       17.9795567892       13.2696365498
  C         3.0854552457       17.6950362192       12.2956309751
  C         2.5639262594       18.7105325405       11.4932634889
  C         3.0208723776       20.0174528494       11.7004455049
  C         3.9821272486       20.2952316467       12.6758361065
  C         2.4000493862       21.1143774938       10.8855010190
  F         2.3720652869       20.7826837220        9.5411565383
  F         1.0906863262       21.3342343914       11.2598803688
  F         3.0364409973       22.3171482396       10.9977631831
  C         2.5094215561       16.3090403281       12.1875920402
  F         1.9324705069       16.0520291079       10.9845258187
  F         3.4285324882       15.3140326060       12.3965821512
  F         1.5226102830       16.1211687715       13.1304885873
  H         4.4406735704       17.9887897603       16.6749437097
  H         4.5887142434       22.1337439415       15.5476173473
  H         2.3260636469       20.9326727735       19.0013841440
  H         6.9945639293       18.9592308527       17.0320562912
  H         9.3646288145       15.6355196392       15.6787735276
  H         6.6759740490       17.6108702015       12.9609191434
  H         6.8992838658       21.6271509259       16.2709046945
  H         9.3303918169       23.5703163138       13.2978626827
  H         6.6800269591       20.3811529374       12.1613888937
  H         4.4315638010       17.1609782941       13.8811578236
  H         1.8158246338       18.4907421292       10.7356188645
  H         4.3024992012       21.3265771392       12.8113322058
  F        15.6184643251        1.2750502594       -0.2928367285
  C        15.6615867076        1.6680233182        1.0286387842
  F        16.9911850420        1.8960416026        1.3186909930
  F        15.0494244464        2.8842101198        1.1013710617
  C        15.0721118016        0.6116820397        1.9261943895
  C        14.2367687943        0.9256378021        3.0053350351
  C        13.7423920865       -0.0698702615        3.8769457437
  C        14.1862431557       -1.3814943436        3.6436882577
  C        15.0054406648       -1.7037261377        2.5574211158
  C        15.4458180049       -0.7154296964        1.6766020244
  C        15.4680184930       -3.1194358581        2.3840107074
  F        16.0485191411       -3.3176851272        1.1716644295
  F        14.4480363131       -4.0417105571        2.4967416515
  F        16.4090918229       -3.4512247593        3.3550531020
  B        12.7940785296        0.2685164159        5.1680350386
  C        11.7342535921        1.4761357176        4.8536247207
  C        11.1236923391        1.5846655695        3.5883931406
  C        10.1455847312        2.5473609421        3.3218348851
  C         9.7293966961        3.4471915797        4.3074094026
  C        10.3114290836        3.3469651665        5.5678928354
  C        11.2871346809        2.3751685092        5.8372599699
  C         9.9403916971        4.3085795767        6.6585713749
  F        11.0609352649        4.8856884454        7.1933511007
  F         9.1287887743        5.3319983803        6.2353196227
  F         9.3030444999        3.6794663928        7.7005722715
  C         9.6239827037        2.7165853811        1.9297945466
  F         9.4969755681        1.5327681909        1.2491064502
  F         8.4036629639        3.3405369538        1.9041029703
  F        10.4692702800        3.4740709745        1.1652839171
  C        11.7993066155       -0.9743079134        5.5579995103
  C        11.2655841233       -1.8560836668        4.5994978656
  C        10.2986328735       -2.8126911592        4.9295178644
  C         9.8220557520       -2.9361961278        6.2376174851
  C        10.3426722632       -2.0731867888        7.2004355896
  C        11.3057912622       -1.1139800018        6.8665511940
  C         9.9454654844       -2.1884249260        8.6402956796
  F         9.5857288683       -0.9742530109        9.1687923148
  F         8.9070730730       -3.0505011759        8.8705363058
  F        11.0137756644       -2.6146654059        9.3934223496
  C         9.7535851173       -3.6996573705        3.8504995906
  F         8.8179155836       -4.5676329384        4.3254539845
  F        10.7200846033       -4.4534020115        3.2279859626
  F         9.1417919399       -2.9678566664        2.8556450602
  C        13.8559419246        0.6140045669        6.3656686229
  C        14.3467837518        1.9123465114        6.5812722892
  C        15.3243118633        2.1881427436        7.5486896042
  C        15.8604440468        1.1731132991        8.3364880435
  C        15.4111574572       -0.1321816549        8.1124064542
  C        14.4348672042       -0.4051591853        7.1494039188
  C        16.0236330832       -1.2301233954        8.9262480427
  F        16.0418401319       -0.8767273346       10.2646449468
  F        17.3295358244       -1.4918526899        8.5812824242
  F        15.3723120833       -2.4178591679        8.8052737319
  C        15.8742237498        3.5785703237        7.6429612333
  F        16.4722154276        3.8587032761        8.8416382062
  F        14.9149417124        4.5292419530        7.4119206502
  F        16.8265735127        3.7874052737        6.6710620273
  H        13.9672292918        1.9672457617        3.1750933769
  H        13.8853527614       -2.1781275778        4.3230611862
  H        16.0767748337       -0.9685247339        0.8290362030
  H        11.4184061894        0.9031664203        2.7911276103
  H         8.9884413301        4.2109273215        4.0917916626
  H        11.7118433626        2.3304751385        6.8391481580
  H        11.6060669626       -1.8003886168        3.5663058662
  H         9.0823558672       -3.6854385102        6.5006122781
  H        11.6778852531       -0.4565691831        7.6511197221
  H        13.9656726410        2.7371548713        5.9812407589
  H        16.6081465204        1.3908365369        9.0959724652
  H        14.1200276093       -1.4369514550        7.0065855947
  H        10.8040863934       11.7704662998        4.7738361083
  H        11.6199478961       10.0785465287        3.1463399844
     646
 i =       92, E =         0.0039623965
 Rh         3.6372193843        0.2365452968        4.8177340937
  P         5.3858659712        0.6383668539        6.2821867050
  C         5.2305944823       -0.2939061166        7.8729554393
  C         4.8258845828       -1.7658041340        7.6700972058
  C         4.5362489678       -2.4272958643        9.0278215838
  C         5.7218140572       -2.2993615123        9.9953828654
  C         6.1897692838       -0.8438250269       10.1412152432
  C         6.4674805891       -0.1866037882        8.7786970755
  C         5.6720460850        2.4048250673        6.7987104845
  C         4.6484330509        2.8155269625        7.8820115012
  C         4.6112385298        4.3271288114        8.1648642144
  C         4.5353978264        5.1559880951        6.8797835195
  C         5.7051762688        4.8001398422        5.9599852478
  C         5.6227350080        3.3223474667        5.5588126952
  C         6.9978077566        0.0912687484        5.5157335123
  C         6.9676962021        0.2289816390        3.9853212648
  P         5.3058545473       -0.2371365193        3.2876184182
  C         5.4518324542       -2.0251457758        2.7823548116
  C         4.3527302852       -2.4045295333        1.7699740374
  C         4.3767157725       -3.9021493174        1.4469888478
  C         4.2375687233       -4.7512490388        2.7123691457
  C         5.3629389188       -4.4275834037        3.6999012013
  C         5.4013798610       -2.9267714778        4.0376769657
  C         5.1440455759        0.7097846266        1.7051238251
  C         4.8705584066        2.2111283961        1.9209002980
  C         4.4326374527        2.8392996005        0.5870426042
  C         5.4872476047        2.6341962902       -0.5125859659
  C         5.9053350223        1.1602211815       -0.6509783248
  C         6.2970114134        0.5340164168        0.7011206296
  C         1.8774489347        0.3142592226        3.4693088644
  C         1.9046110420       -0.9385189251        4.0885572588
  C         1.0688890360       -0.8173615828        5.3760921993
  C         1.9341774312        0.1112802722        6.2544153136
  C         1.9048447410        1.3641952188        5.6407474225
  C         1.0224583123        1.2200878757        4.3838053224
  C        -0.0164107090        0.1856416661        4.8978633169
  H         4.3887888853        0.2117303627        8.3743986856
  H         5.6342290944       -2.3086718671        7.1579081761
  H         3.9444804916       -1.8273430328        7.0140053674
  H         4.2769655181       -3.4854316728        8.8812960323
  H         3.6488233149       -1.9505502163        9.4688562934
  H         5.4441292545       -2.7049258841       10.9791011767
  H         6.5575644615       -2.9148116888        9.6360341955
  H         7.0978498486       -0.7920601052       10.7599505441
  H         5.4125725671       -0.2627855327       10.6622955768
  H         6.7704135876        0.8589800946        8.9213269327
  H         7.3138269760       -0.6906659066        8.2944910479
  H         6.6864143179        2.4566934337        7.2265572855
  H         4.8733115845        2.2853178749        8.8173329227
  H         3.6452925382        2.4843029861        7.5791167609
  H         5.5114697734        4.6213042590        8.7230693768
  H         3.7558358101        4.5415336823        8.8217485914
  H         4.5297986719        6.2269091151        7.1242726001
  H         3.5898111789        4.9581248435        6.3531683595
  H         6.6532192214        4.9901043221        6.4820404678
  H         5.7155118376        5.4273554726        5.0596431070
  H         6.4359664133        3.0663233931        4.8640727313
  H         4.6815520725        3.1437197774        5.0132744824
  H         7.8352874065        0.6557209070        5.9504687841
  H         7.1393425909       -0.9600022620        5.8042833892
  H         7.7629973971       -0.3629381586        3.5097674484
  H         7.1303215981        1.2760391940        3.6931056974
  H         6.4328597835       -2.1458515090        2.2946158120
  H         4.4599237274       -1.8237039876        0.8442923816
  H         3.3653784884       -2.1469331801        2.1752668696
  H         5.3214435253       -4.1490561584        0.9413558524
  H         3.5707254686       -4.1293502959        0.7381823089
  H         4.2397847057       -5.8185318706        2.4514836530
  H         3.2609002013       -4.5587584638        3.1809853184
  H         5.2371136288       -4.9952315022        4.6343217344
  H         6.3273652464       -4.7376460917        3.2719090329
  H         6.2656591905       -2.7192345964        4.6848191743
  H         4.5061477400       -2.6601491803        4.6227365615
  H         4.2331663647        0.2769987644        1.2588780919
  H         5.7852543719        2.7067700964        2.2796987157
  H         4.1043095904        2.3600727213        2.6966841833
  H         4.2262693305        3.9103418239        0.7209252985
  H         3.4824268923        2.3777998248        0.2789355568
  H         6.3735462808        3.2442267523       -0.2851293369
  H         5.0986194256        3.0046292959       -1.4726048286
  H         6.7452153514        1.0705870050       -1.3557446204
  H         5.0707872676        0.5818840980       -1.0786186004
  H         7.1917339108        1.0352138614        1.0911081248
  H         6.5630140540       -0.5219854598        0.5652975522
  H         2.1149560818        0.5368325972        2.4328198676
  H         2.1745300657       -1.8897794877        3.6404037821
  H         0.7523542304       -1.7585925835        5.8318516883
  H         2.2218224539       -0.1102675393        7.2782397008
  H         2.1745598565        2.3176206670        6.0856125127
  H         0.6602514218        2.1511342710        3.9407387038
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  H        -0.6453359098       -0.2198118012        4.0987652563
 Rh        14.7184359162       19.6359480121       14.9732587162
  P        12.9496256761       19.2034824879       13.5263351157
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  C        13.5028259528       21.6589191195       12.2116498275
  C        13.8472708698       22.3522794029       10.8830372178
  C        12.6916403005       22.2502542306        9.8777587233
  C        12.2602233479       20.7914601228        9.6679994864
  C        11.9321511287       20.0858474015       10.9967990744
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  C        13.6627985696       17.0370987119       11.8579543309
  C        13.5933709656       15.5330952571       11.5501327540
  C        13.7868306914       14.7098385102       12.8261888523
  C        12.6819298852       15.0384861943       13.8344022884
  C        12.6805800733       16.5339961698       14.1866704901
  C        11.3279189384       19.6806322197       14.3369288912
  C        11.4120498711       19.6769499067       15.8754344533
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  C        13.9866615686       22.4363632982       17.9925383182
  C        14.0001915518       23.9666455464       18.1664424837
  C        14.0819285641       24.7196156918       16.8342192251
  C        12.9425999989       24.2924713860       15.9073516810
  C        13.0302044902       22.7845751425       15.6511975419
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  C        13.5893395870       17.7351286848       17.8069095636
  C        14.0380452671       17.0189732457       19.0885661346
  C        12.9971230895       17.1713107303       20.2085173461
  C        12.6214372860       18.6439308948       20.4507619161
  C        12.2242233877       19.3815839575       19.1548616230
  C        16.4410563121       19.6345151444       16.3556975890
  C        16.4621675070       20.8255089945       15.6220649333
  C        17.3255969627       20.5586831530       14.3734877339
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  C        16.4258533526       18.3870165873       14.2916218233
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  H        11.0554358631       20.6776102657       13.9639115630
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  H        14.0569731401       25.8018666343       17.0187152045
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  H        12.9806008521       24.8269069782       14.9481521436
  H        11.9735238483       24.5359826762       16.3654314506
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  H        13.9937614626       22.5561333225       15.1669752926
  H        14.2563708767       19.6575652968       18.5065232825
  H        12.6660982317       17.2669070063       17.4329609530
  H        14.3415310114       17.6272507757       17.0097963911
  H        14.2198316964       15.9556869266       18.8749758051
  H        15.0024481807       17.4384192186       19.4127244114
  H        12.0954605981       16.5996911508       19.9442515741
  H        13.3793577263       16.7269643708       21.1390548152
  H        11.7916151861       18.7038721139       21.1707540401
  H        13.4761854406       19.1650752158       20.9104265790
  H        11.2837426304       18.9652064858       18.7699478821
  H        12.0331702788       20.4399712056       19.3724909550
  H        16.1862551404       19.5212516401       17.4053598422
  H        16.2067647963       21.8204526915       15.9768574214
  H        17.6832012698       21.4414446081       13.8382002245
  H        16.1896017307       19.7079025280       12.5165054627
  H        16.1261235482       17.4047261632       13.9361966867
  H        17.6040147801       17.7267687637       16.0905287845
  H        19.0038931094       19.1020819909       14.2167387334
  H        18.9873453885       20.0380799496       15.7525973938
 Rh         5.9717632154       10.0645177324       14.9862567192
  P         4.1670771896        9.5874250179       13.6137109936
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  C         3.6848572545        6.9043165386       14.3182370297
  C         3.6572427424        5.4212991640       13.9108978588
  C         4.8621242471        5.0763341204       13.0331239432
  C         4.7909270582        5.8911703721       11.7416493312
  C         4.8019184290        7.3972192909       12.0372956145
  C         2.5896248604       10.2108968298       14.3809338987
  C         2.6599636627       10.1172032738       15.9099594975
  P         4.3445882676       10.6144990298       16.5274707691
  C         4.1435884922       12.3854411917       17.0444573246
  C         3.9927728557       13.2777074903       15.7924124592
  C         4.0744164714       14.7756650431       16.1199401196
  C         5.3780752065       15.0813443704       16.8612789232
  C         5.4136722511       14.2999027894       18.1759819548
  C         5.3271656194       12.7882715413       17.9473565577
  C         4.5865325426        9.6754057111       18.0993531272
  C         4.9454249698        8.2010078942       17.8332680736
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  C         4.9970212846       12.7617228909       10.9918245184
  C         3.8603580408       12.5962183025        9.9718589016
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  C         7.5864594038        8.6897191588       14.3517738844
  C         8.4898242980        8.9317066964       15.5790901439
  C         9.6218512556        9.7729104314       14.9272855244
  C         8.6341475136       10.7957293632       14.2984137812
  C         7.7373300086       10.0427709175       16.3443380084
  C         7.6752997956        9.8365773836       13.5581904404
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  H         7.3974459896        9.9327403216       12.5119842000
 Rh        12.6619676812        9.7966663328        4.6973413460
  P        14.3037296630       10.0630543384        6.1664258681
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  C        14.7286325828       12.8384602944        5.5026398962
  C        14.7661302341       14.3052734967        5.9804218048
  C        13.5026157450       14.7019440713        6.7515925232
  C        13.3002767819       13.7581761241        7.9388971633
  C        13.1904552327       12.3055632799        7.4534362485
  C        15.9702186945        9.6508326395        5.4373469269
  C        15.9639999178        9.8801162206        3.9152596325
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  C        14.3791255571        7.6252306529        2.7102161372
  C        14.5683424283        6.7028995358        3.9333170560
  C        14.4425196610        5.2116497320        3.5723175734
  C        13.1090110095        4.9211336280        2.8772003859
  C        12.9943975650        5.7706131778        1.6089839277
  C        13.0991473098        7.2686462481        1.9233640371
  C        14.1247382377       10.3356209506        1.6070949948
  C        13.9376900920       11.8445815140        1.8464186268
  C        13.5664828400       12.5535990417        0.5370419579
  C        14.5952126092       12.2748260802       -0.5680557433
  C        15.1996495718       10.0666175870        0.5438594548
  C        14.8194086218       10.7683831262       -0.7705463191
  C        14.1514121827        9.1912147588        7.7887819060
  C        13.7617151533        7.7097755522        7.6560459436
  C        13.3994131696        7.1529090680        9.0416160848
  C        14.5822000146        7.2855140956       10.0080410457
  C        15.0590939721        8.7416193254       10.1059130168
  C        15.3580834188        9.3580745237        8.7259831455
  C        10.5221644878        9.9824700482        3.4557397296
  C        10.8796752211        9.3430998718        6.1509401668
  C         9.6380601931       10.1143249161        5.6821293805
  C         8.8763420391        9.0029218438        4.9098423105
  C        10.1149592126        8.5933779187        4.0800345512
  C        10.0372152088       11.0330699335        4.4993845873
  C        11.1233829131        8.3363191431        5.2053861273
  H        15.3050463937       11.8906644893        7.3495903075
  H        13.9544827518       12.7244483684        4.7290113335
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  H        16.1736682946        8.5974525267        5.6727704693
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  H        13.2906759048        9.7067769391        8.2455038534
  H        12.9175818451        7.5987837419        6.9664095373
  H        14.5981379635        7.1371380326        7.2298626777
  H        13.0722475362        6.1071139574        8.9605686275
  H        12.5382436481        7.7157469083        9.4340534448
  H        14.3044204144        6.9106352114       11.0033504372
  H        15.4087494624        6.6506100044        9.6602320547
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  H        14.2769307207        9.3427596009       10.5971421954
  H        16.2316876655        8.8647687779        8.2813193094
  H        15.6246073996       10.4150787996        8.8483089080
  H        10.0678726352       10.1218181347        2.4677142200
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  H         9.0971635164       10.6237041241        6.4803629755
  H         8.0440240665        9.3904757478        4.3092330033
  H         8.5195020307        8.1837039576        5.5444433108
  H         9.9984772743        7.7932415725        3.3425951548
  H         9.1699409082       11.5913073575        4.1215947553
  H        11.6106210715        7.3743698341        5.3537919660
  F         8.5035672288       11.5987954480        1.4658995943
  C         7.2291959128       11.2413601125        1.0667593655
  F         6.4849905203       12.3772438200        1.0308639250
  F         7.3490783690       10.8242236621       -0.2345544915
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  C         7.0203303535        8.8509600595        1.6856455305
  C         6.4477181162        7.8477485585        2.4604488535
  C         5.5272374867        8.1576671703        3.4753586944
  C         5.1447367805        9.4814765980        3.7620831017
  C         5.7208798705       10.4801637115        2.9461151611
  B         4.2366945611        9.8938000639        5.0725086406
  C         3.2192621311        8.7058261019        5.5723429373
  C         2.5755733624        7.8591497892        4.6573776043
  C         1.6535484530        6.8814717173        5.0590712471
  C         1.2934476379        6.7378212209        6.4007588684
  C         1.8941480651        7.6012835625        7.3263125783
  C         2.8417852913        8.5499014708        6.9195357919
  C         1.5840894913        7.5043992589        8.7972635910
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  F         2.6879256350        7.1596873540        9.5347356618
  F         1.1754806391        8.7166942236        9.3109412460
  C         1.1539842284        5.9768863520        3.9695181574
  F         2.1800114010        5.2399896588        3.4414460319
  F         0.1934641773        5.0738406782        4.3299624053
  F         0.6514097301        6.7255502248        2.9276039223
  C         5.3477680854       10.2442072021        6.2110580446
  C         5.9140487476        9.1865904416        6.9297787010
  C         6.8601818023        9.3836092523        7.9369991272
  C         7.3121175460       10.6695839541        8.2491216888
  C         6.8139630657       11.7405424330        7.4911931203
  C         5.8473443066       11.5265001843        6.4969630357
  C         7.3325633121       13.1421694044        7.6993368760
  F         7.8476012044       13.3444635375        8.9470492168
  F         6.3559155358       14.0817156374        7.4843666819
  F         8.3388573019       13.4808834079        6.8174508790
  C         7.2737189229        8.1342916895        8.6592366824
  F         8.4339773845        8.2300600560        9.3835195332
  F         7.4257391836        7.0989153140        7.7769134344
  F         6.2866005310        7.7322843502        9.5345724471
  C         3.2212882144       11.1318416185        4.7906780919
  C         2.6230970697       11.2818299848        3.5316608145
  C         1.6675003908       12.2676245359        3.2880299195
  C         1.2802923026       13.1709675256        4.2780684574
  C         1.8545695612       13.0292470825        5.5391032906
  C         2.7898858270       12.0156893430        5.7960609733
  C         1.1066571831       12.3799688549        1.9150817154
  F         1.0159773521       11.1552359587        1.3118720937
  F         1.8936924353       13.1559058286        1.0971505225
  F        -0.1569691727       12.9030325539        1.9038960002
  C         6.8221277812        6.4132247439        2.2177772749
  F         7.6157246136        6.2388869270        1.1137578010
  F         7.4987811321        5.8845901564        3.2979688880
  F         5.7124207329        5.6255945888        2.0531505374
  F         0.7128014425       15.0290410822        6.2357236212
  F         0.8949685380       13.3791574537        7.6962980820
  F         2.6779177070       14.5680060212        7.1196471821
  C         1.5257597169       13.9958233923        6.6380778953
  H         7.7425341792        8.6111453143        0.9104156618
  H         5.1031681828        7.3396682698        4.0565127068
  H         5.4533322695       11.5232776870        3.1092884593
  H         2.8019726822        7.9489058519        3.5952539003
  H         0.5889720735        5.9734339500        6.7158670926
  H         3.3055468350        9.1762496673        7.6799404820
  H         5.6019906135        8.1687659441        6.7032819551
  H         8.0421508814       10.8344164289        9.0346924857
  H         5.4652197230       12.3864668630        5.9497173137
  H         2.8994667831       10.6075103365        2.7228377845
  H         0.5647294944       13.9603243944        4.0687809658
  H         3.1927844370       11.9235243983        6.8038394317
  F         9.9830406273        8.3889669153       18.4854349657
  C        11.2759684400        8.6564129650       18.8871593798
  F        11.9352274520        7.4696221781       18.8446199348
  F        11.2166597203        9.0174009005       20.2231056122
  C        11.8831227262        9.7254181362       18.0223347952
  C        11.4320421909       11.0385002474       18.1963452236
  C        11.8862517430       12.0123552511       17.3069396106
  C        12.7673654456       11.6827079791       16.2681839475
  C        13.2468100026       10.3744359130       16.0792050551
  C        12.7732205659        9.4049528491       16.9890724834
  B        14.1578718297        9.9815639908       14.7700010908
  C        15.1625228533       11.1867441951       14.3010753150
  C        15.7708968911       12.0503285593       15.2271091460
  C        16.7040052253       13.0193252005       14.8381899914
  C        17.0862195290       13.1519373863       13.4982636794
  C        16.5049764803       12.2891297189       12.5611059575
  C        15.5636680569       11.3328658894       12.9594930841
  C        16.8415054260       12.3981007643       11.0970210742
  F        17.8573605882       13.2702569081       10.8527620165
  F        15.7543533304       12.8160034771       10.3460145129
  F        17.2355814885       11.1910774960       10.5617017299
  C        17.2395689146       13.9419307500       15.8971903880
  F        16.2462162960       14.6724244840       16.4975046295
  F        18.1482859311       14.8385646412       15.4059514829
  F        17.8388125644       13.2541164259       16.9343580521
  C        13.0535498362        9.6433553375       13.5962476201
  C        12.4472422801       10.6734369924       12.8472889243
  C        11.4630678791       10.4128497146       11.8835178937
  C        11.0339384470        9.1082454380       11.6384320569
  C        11.6027218827        8.0749220442       12.3846900036
  C        12.5876858352        8.3378951397       13.3427201118
  C        11.0276426823        6.6990842964       12.2312692419
  F        10.4972479110        6.4948693762       10.9942431680
  F        11.9227913816        5.6912773591       12.4653124556
  F        10.0064274820        6.4975827487       13.1312725298
  C        10.9012434995       11.5269242264       11.0449377269
  F         9.7388502500       11.1771433016       10.4115535667
  F        10.6233260046       12.6609817918       11.7449051676
  F        11.7670257387       11.8861218101       10.0456025661
  C        15.1964848352        8.7425761143       15.0503319745
  C        15.8606207061        8.5681599438       16.2868771938
  C        16.8102653720        7.5572974538       16.4650062313
  C        17.1131463545        6.6645308976       15.4334569731
  C        16.4830319839        6.8318835393       14.2079774557
  C        15.5646455005        7.8682366206       14.0128994014
  C        17.4846536284        7.2664846593       17.7708334815
  F        17.6136362363        8.3287830371       18.6223298145
  F        16.7939377947        6.3143326023       18.4810459708
  F        18.7593740068        6.7893167454       17.5410904677
  C        11.3913464880       13.4253921620       17.4294886564
  F        10.7858375744       13.6681814432       18.6257343945
  F        10.4808925821       13.7342179338       16.4315660389
  F        12.4021707620       14.3399982153       17.3058136453
  F        17.6294933466        4.8710423114       13.4870782749
  F        17.3761678550        6.5265884426       12.0281257723
  F        15.6574982231        5.2680282157       12.6117869354
  C        16.7885113481        5.8814499564       13.0911466728
  H        10.7326218196       11.2930057548       18.9880063795
  H        13.0831160232       12.4703597986       15.5851899982
  H        13.0924339359        8.3706078709       16.8795235836
  H        15.5089048913       11.9733267021       16.2812457903
  H        17.7978042547       13.9133618836       13.1937898909
  H        15.1271737031       10.6873180767       12.1987053298
  H        12.7467434222       11.7070803553       13.0188371719
  H        10.2582491841        8.9026031254       10.9077474017
  H        12.9967639312        7.5024165134       13.9089051375
  H        15.6359069244        9.2336383634       17.1204314220
  H        17.8185001686        5.8558458303       15.5902731270
  H        15.1217379354        7.9875509854       13.0266497767
  F         2.7329066269       18.6353921300       20.1008408862
  C         2.7336006216       18.2902824320       18.7707326948
  F         1.4088787107       18.0808047376       18.4719740632
  F         3.3616736905       17.0875962201       18.6300620105
  C         3.3449524482       19.3556889504       17.9152272931
  C         4.1849284191       19.0335309587       16.8425941970
  C         4.6928989934       20.0199128725       15.9714022728
  C         4.2705011791       21.3372154982       16.2186317192
  C         3.4409802516       21.6643722565       17.2991259956
  C         2.9766234240       20.6803994452       18.1682797895
  C         2.9239029146       23.0646137293       17.4353558619
  F         2.2997140826       23.2919162198       18.6244902363
  F         3.9025150637       24.0239560675       17.3050127459
  F         1.9927052045       23.2931643545       16.4316392039
  B         5.6126401714       19.6403387158       14.6705778456
  C         6.6564799049       18.4184024456       14.9672226756
  C         7.2733408290       18.2853291220       16.2234581772
  C         8.2429866763       17.3093811568       16.4684833828
  C         8.6374676941       16.4144985716       15.4733732954
  C         8.0505028610       16.5436461737       14.2153015949
  C         7.0928769530       17.5346585070       13.9642320339
  C         8.4234691881       15.5969069975       13.1143089992
  F         7.3129082406       15.0304464695       12.5393867728
  F         9.2157934372       14.5689535243       13.5621170947
  F         9.1081950170       16.2276946226       12.1007606053
  C         8.7832913252       17.1552341396       17.8520948857
  F         8.9099563210       18.3673577225       18.4839508990
  F        10.0143021094       16.5640206419       17.8928100506
  F         7.9538422159       16.3793977813       18.6302904188
  C         6.6290513147       20.8565047576       14.2668312550
  C         7.2063462346       21.7062645235       15.2288852212
  C         8.1646478097       22.6676785700       14.8890038023
  C         8.5985167482       22.8160105489       13.5681671233
  C         8.0418175583       21.9750452292       12.6042519916
  C         7.0838364247       21.0163402675       12.9479661180
  C         8.4048578908       22.1124401322       11.1580799393
  F         8.8236149587       20.9054959980       10.6310906564
  F         9.3806760362       23.0322593168       10.9269064037
  F         7.3248853301       22.5146727709       10.4084680526
  C         8.6821734401       23.5856939739       15.9562516730
  F         9.6019000791       24.4692174298       15.4764997165
  F         7.6877146895       24.3578013664       16.5045628315
  F         9.2705245758       22.8897474501       17.0027501518
  C         4.5443086709       19.2824832364       13.4787448214
  C         4.0541858857       17.9795324143       13.2697094333
  C         3.0855008984       17.6949896053       12.2959011085
  C         2.5636914181       18.7105932793       11.4934654843
  C         3.0208045459       20.0176792338       11.7006236920
  C         3.9819713411       20.2952497519       12.6759722238
  C         2.3997987430       21.1145021848       10.8855798225
  F         2.3719473881       20.7824031850        9.5411061944
  F         1.0907590690       21.3341370404       11.2601126861
  F         3.0366482364       22.3171658283       10.9981408596
  C         2.5093695219       16.3090635376       12.1877010643
  F         1.9322861681       16.0519200260       10.9843675222
  F         3.4285472261       15.3140219772       12.3966940647
  F         1.5226769862       16.1211784953       13.1305130783
  H         4.4408667248       17.9874834591       16.6746867535
  H         4.5889718974       22.1329951206       15.5487677371
  H         2.3252187018       20.9322935431       19.0007738025
  H         6.9941732688       18.9587629578       17.0321296082
  H         9.3653086071       15.6358122312       15.6785958037
  H         6.6753867355       17.6102463146       12.9611901582
  H         6.8997284575       21.6266086702       16.2709353869
  H         9.3296996656       23.5707216987       13.2977413897
  H         6.6800489094       20.3809264153       12.1612681395
  H         4.4314791856       17.1610427044       13.8809890626
  H         1.8152105564       18.4908161154       10.7358743732
  H         4.3022339397       21.3265574247       12.8114727161
  F        15.6192437537        1.2744817274       -0.2928089516
  C        15.6614124495        1.6680656476        1.0283286903
  F        16.9910172657        1.8961451972        1.3189628331
  F        15.0496338412        2.8843950004        1.1022064912
  C        15.0723147813        0.6118448808        1.9261717564
  C        14.2364182595        0.9256015903        3.0049177411
  C        13.7418575082       -0.0697897835        3.8767399133
  C        14.1857508492       -1.3814741787        3.6432613084
  C        15.0055027691       -1.7038515696        2.5573628440
  C        15.4463859273       -0.7152565013        1.6768355173
  C        15.4681297468       -3.1195769596        2.3841691749
  F        16.0485405100       -3.3175612318        1.1715518917
  F        14.4480056549       -4.0416097918        2.4966984691
  F        16.4089999853       -3.4510428100        3.3549715139
  B        12.7939356635        0.2687440058        5.1677566050
  C        11.7343262161        1.4763942268        4.8531272047
  C        11.1238144020        1.5851265917        3.5880985225
  C        10.1457628924        2.5475443410        3.3220244025
  C         9.7292504128        3.4476782427        4.3072136682
  C        10.3114543279        3.3473044418        5.5677501074
  C        11.2870411324        2.3755208445        5.8368544074
  C         9.9405597474        4.3086447404        6.6584728572
  F        11.0616927709        4.8856785843        7.1933262081
  F         9.1289544868        5.3319950248        6.2354002875
  F         9.3031306328        3.6795727741        7.7005748231
  C         9.6241103494        2.7168801186        1.9296573882
  F         9.4965976325        1.5329329796        1.2490966948
  F         8.4033250728        3.3400306043        1.9039592883
  F        10.4693156419        3.4740905326        1.1651794056
  C        11.7988545014       -0.9738544228        5.5576626959
  C        11.2648576114       -1.8554329471        4.5991676716
  C        10.2984314554       -2.8123876305        4.9293401857
  C         9.8221104557       -2.9361211218        6.2375603837
  C        10.3425845378       -2.0730741071        7.2004401997
  C        11.3055644419       -1.1137477077        6.8664224240
  C         9.9454149918       -2.1883824236        8.6402997608
  F         9.5859121809       -0.9741708415        9.1687607366
  F         8.9070919410       -3.0505599850        8.8704035581
  F        11.0138378017       -2.6146162317        9.3933675975
  C         9.7535261682       -3.6995423181        3.8505218490
  F         8.8179514968       -4.5676646019        4.3253635174
  F        10.7200767716       -4.4533729018        3.2280560025
  F         9.1417881146       -2.9678742931        2.8555171839
  C        13.8557207935        0.6139610337        6.3653197288
  C        14.3467888246        1.9123648290        6.5811271960
  C        15.3241258567        2.1881524540        7.5479500275
  C        15.8610350874        1.1731568255        8.3360374986
  C        15.4109754079       -0.1324995308        8.1119227214
  C        14.4348097403       -0.4049577305        7.1494378330
  C        16.0236167606       -1.2300768189        8.9261456824
  F        16.0418947713       -0.8766651413       10.2645925423
  F        17.3295497545       -1.4917958193        8.5812236464
  F        15.3722957617       -2.4178394131        8.8052062865
  C        15.8743005843        3.5785907284        7.6425551554
  F        16.4722396124        3.8586403203        8.8404279814
  F        14.9149029614        4.5292004210        7.4117609657
  F        16.8265665588        3.7874901071        6.6707730312
  H        13.9664968583        1.9671994714        3.1743664794
  H        13.8842915482       -2.1782742630        4.3223312660
  H        16.0780299541       -0.9683179296        0.8298474884
  H        11.4186000685        0.9038876425        2.7908810007
  H         8.9886214865        4.2111476413        4.0917662075
  H        11.7119956569        2.3306596425        6.8392464830
  H        11.6047981383       -1.7991949467        3.5659503810
  H         9.0825578496       -3.6855489178        6.5006295492
  H        11.6778222950       -0.4563062014        7.6510245024
  H        13.9654368249        2.7372347195        5.9810767534
  H        16.6089036133        1.3906683042        9.0946980353
  H        14.1194284961       -1.4369515947        7.0066854591
  H        10.8042757829       11.7703006185        4.7726532345
  H        11.6190277870       10.0779498393        3.1456455508
     646
 i =       93, E =         0.0055455845
 Rh         3.6377173484        0.2367554703        4.8178592609
  P         5.3860317256        0.6383708742        6.2825248315
  C         5.2304478048       -0.2947791223        7.8727536270
  C         4.8266382939       -1.7669734819        7.6697664056
  C         4.5362196050       -2.4280329271        9.0274074098
  C         5.7217230831       -2.3005924061        9.9949475307
  C         6.1895089128       -0.8451128967       10.1411413330
  C         6.4669712289       -0.1873303286        8.7789595165
  C         5.6718529028        2.4049155549        6.7992347753
  C         4.6475969408        2.8159906408        7.8817143859
  C         4.6122022637        4.3274043325        8.1650912408
  C         4.5359247155        5.1565802948        6.8803258129
  C         5.7044364036        4.8003852301        5.9592060594
  C         5.6232358711        3.3223085230        5.5591703891
  C         6.9979962102        0.0912777072        5.5161358050
  C         6.9681707176        0.2288823389        3.9856483608
  P         5.3061777397       -0.2370939978        3.2880539060
  C         5.4529305406       -2.0250375554        2.7829445503
  C         4.3546904635       -2.4042860644        1.7695918735
  C         4.3769833192       -3.9020932605        1.4477051938
  C         4.2379993288       -4.7508620619        2.7133389395
  C         5.3640532525       -4.4273386855        3.7003126413
  C         5.4020311051       -2.9265940941        4.0383498368
  C         5.1427861009        0.7093562428        1.7054320675
  C         4.8688993259        2.2106559080        1.9210597726
  C         4.4325580143        2.8394744617        0.5870921186
  C         5.4879812375        2.6344992547       -0.5115898744
  C         5.9047180544        1.1603139306       -0.6507538989
  C         6.2952489641        0.5328642251        0.7010510531
  C         1.8778660052        0.3143693405        3.4696346670
  C         1.9049811175       -0.9380311978        4.0890335951
  C         1.0693758688       -0.8164054963        5.3767326160
  C         1.9351072348        0.1123682386        6.2549427173
  C         1.9058373856        1.3652604277        5.6405303796
  C         1.0232118671        1.2207109145        4.3837924493
  C        -0.0155295417        0.1866039134        4.8981605816
  H         4.3880823893        0.2102662260        8.3741289342
  H         5.6359114903       -2.3095389916        7.1586601249
  H         3.9459220585       -1.8293660712        7.0126416181
  H         4.2760701294       -3.4861393677        8.8811397041
  H         3.6490440649       -1.9505712177        9.4682980323
  H         5.4441982171       -2.7065703103       10.9786458928
  H         6.5574797718       -2.9160503559        9.6353105799
  H         7.0977445940       -0.7933311873       10.7598461066
  H         5.4122744536       -0.2644500425       10.6625748518
  H         6.7694906898        0.8584016727        8.9219007328
  H         7.3135745844       -0.6908657271        8.2945265401
  H         6.6859363586        2.4568675842        7.2279159310
  H         4.8706973573        2.2848463717        8.8170088584
  H         3.6443298389        2.4862738952        7.5774993642
  H         5.5132899900        4.6205015678        8.7226105326
  H         3.7576081449        4.5426241901        8.8228845953
  H         4.5313621035        6.2274773118        7.1250694941
  H         3.5894826374        4.9596799494        6.3546705375
  H         6.6531986626        4.9921986765        6.4793502739
  H         5.7125245677        5.4266748301        5.0579802724
  H         6.4374323983        3.0665344587        4.8653129526
  H         4.6827642454        3.1427095818        5.0126228192
  H         7.8355616110        0.6555472522        5.9510444677
  H         7.1392345469       -0.9599546507        5.8046812624
  H         7.7631690108       -0.3636069238        3.5104638853
  H         7.1315228372        1.2758729401        3.6932485252
  H         6.4344061881       -2.1455482324        2.2960851726
  H         4.4643999814       -1.8245678533        0.8434229637
  H         3.3670986451       -2.1444659829        2.1729814365
  H         5.3210665475       -4.1501752609        0.9414534326
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 Rh        14.7184371224       19.6359410263       14.9734842879
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 Rh         5.9709164777       10.0642325897       14.9862206330
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  F         7.3491750709       10.8242998042       -0.2345716124
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  C         5.1453079750        9.4815819969        3.7627244260
  C         5.7215842467       10.4803596299        2.9466012598
  B         4.2367796589        9.8941227111        5.0726632351
  C         3.2197685783        8.7063261599        5.5721693270
  C         2.5759942024        7.8586240341        4.6572501927
  C         1.6538183668        6.8810117833        5.0586804560
  C         1.2937770695        6.7381205330        6.4010609737
  C         1.8928789738        7.6013451078        7.3271401305
  C         2.8404445248        8.5500585466        6.9198432695
  C         1.5867253784        7.5064763387        8.7937367330
  F         0.6269164619        6.5768183963        9.0920527920
  F         2.6881221206        7.1589770618        9.5354237928
  F         1.1743917303        8.7175183008        9.3121730873
  C         1.1542163636        5.9769484075        3.9696954709
  F         2.1800433672        5.2399225732        3.4413806629
  F         0.1933996532        5.0738246962        4.3300235728
  F         0.6514084171        6.7256497341        2.9276352032
  C         5.3475919162       10.2437537183        6.2115578868
  C         5.9132217210        9.1869186305        6.9307201601
  C         6.8598051650        9.3835431412        7.9372055850
  C         7.3122127115       10.6696651694        8.2492510199
  C         6.8144184063       11.7406040670        7.4914058779
  C         5.8478116329       11.5266816160        6.4964976553
  C         7.3327732989       13.1423723604        7.6992955514
  F         7.8474511888       13.3439334000        8.9472803622
  F         6.3554636161       14.0816688258        7.4843775708
  F         8.3391576842       13.4807110295        6.8171715010
  C         7.2735548691        8.1344220294        8.6593830244
  F         8.4341572847        8.2300688500        9.3836506559
  F         7.4257541203        7.0989223414        7.7768057816
  F         6.2866606585        7.7323845529        9.5344920861
  C         3.2219527033       11.1321428104        4.7904358402
  C         2.6236266584       11.2819534209        3.5311854271
  C         1.6672342413       12.2681816420        3.2885103267
  C         1.2799722687       13.1703002674        4.2780017678
  C         1.8541326167       13.0299438316        5.5386091450
  C         2.7909087849       12.0162721109        5.7958643730
  C         1.1068039922       12.3799957810        1.9151647734
  F         1.0158526841       11.1553250670        1.3116702193
  F         1.8934864600       13.1557507098        1.0971072577
  F        -0.1569395659       12.9029617817        1.9035730649
  C         6.8220574612        6.4132536408        2.2178215208
  F         7.6156930240        6.2388807071        1.1137634835
  F         7.4987828954        5.8845814093        3.2979281770
  F         5.7124268147        5.6255399565        2.0530625407
  F         0.7128133070       15.0290843825        6.2354529048
  F         0.8947303735       13.3790197437        7.6964545321
  F         2.6779361651       14.5681530306        7.1195202851
  C         1.5260506647       13.9959114897        6.6380935671
  H         7.7393394904        8.6107827783        0.9077742689
  H         5.1050810236        7.3398889351        4.0583857356
  H         5.4546781356       11.5234351550        3.1105867047
  H         2.8032653773        7.9478391322        3.5956641120
  H         0.5887772631        5.9730078724        6.7154421491
  H         3.3035706988        9.1775362996        7.6801566879
  H         5.6004362636        8.1691421886        6.7050324564
  H         8.0423040090       10.8345498558        9.0348217516
  H         5.4667362018       12.3862666130        5.9485352504
  H         2.9001328444       10.6082213263        2.7227983360
  H         0.5635407164       13.9592642960        4.0692335422
  H         3.1944573766       11.9250224243        6.8033943999
  F         9.9830563481        8.3889285406       18.4855314422
  C        11.2759536182        8.6563971627       18.8869595196
  F        11.9351918201        7.4695184731       18.8445757244
  F        11.2165323927        9.0174991778       20.2231981430
  C        11.8832457447        9.7252861399       18.0220586997
  C        11.4324544837       11.0388479694       18.1966341967
  C        11.8863928922       12.0120855618       17.3073754790
  C        12.7675852398       11.6832199114       16.2683004224
  C        13.2466532851       10.3740481095       16.0792100331
  C        12.7724551553        9.4050628479       16.9885460108
  B        14.1580298135        9.9814658520       14.7700463574
  C        15.1624169616       11.1868300172       14.3006881646
  C        15.7703072020       12.0509445020       15.2269238343
  C        16.7038829575       13.0196133856       14.8380011037
  C        17.0862816915       13.1519736598       13.4981571183
  C        16.5050019773       12.2889536424       12.5612733393
  C        15.5640287980       11.3324774923       12.9595522010
  C        16.8418687878       12.3980308160       11.0971827895
  F        17.8573199018       13.2702073502       10.8525698514
  F        15.7541714840       12.8160840807       10.3457564007
  F        17.2355238789       11.1910939798       10.5615811819
  C        17.2394441908       13.9419441251       15.8971932288
  F        16.2462554944       14.6724294972       16.4975081512
  F        18.1483418284       14.8385592755       15.4059337986
  F        17.8387900923       13.2541671090       16.9342731010
  C        13.0528963234        9.6432267844       13.5961208519
  C        12.4471386449       10.6734094108       12.8470130682
  C        11.4634452250       10.4129808681       11.8832987741
  C        11.0347445539        9.1082635333       11.6376855805
  C        11.6029777174        8.0752328152       12.3848996457
  C        12.5871067448        8.3380705122       13.3437620790
  C        11.0274681291        6.6990804170       12.2311872046
  F        10.4971286059        6.4948098972       10.9940258480
  F        11.9230637288        5.6910197339       12.4654130831
  F        10.0062522358        6.4975219218       13.1314882904
  C        10.9005583254       11.5269705379       11.0451334967
  F         9.7394291578       11.1776442348       10.4119026277
  F        10.6239830722       12.6601369996       11.7440990422
  F        11.7667856743       11.8870244203       10.0457604693
  C        15.1957500902        8.7432625902       15.0507611949
  C        15.8602626254        8.5681455651       16.2868752767
  C        16.8101643020        7.5573556293       16.4647918194
  C        17.1135253839        6.6646682397       15.4334524288
  C        16.4835177996        6.8312633241       14.2075639987
  C        15.5645329592        7.8679745401       14.0132203692
  C        17.4845203832        7.2665113992       17.7709750200
  F        17.6136054253        8.3289423018       18.6223918760
  F        16.7938065282        6.3142654953       18.4809447501
  F        18.7595326790        6.7891613126       17.5410365055
  C        11.3913752793       13.4254505056       17.4294986487
  F        10.7858796247       13.6682369333       18.6256962461
  F        10.4809973959       13.7342908718       16.4316700069
  F        12.4021375380       14.3400921129       17.3058151290
  F        17.6304439353        4.8716795007       13.4875744031
  F        17.3765977553        6.5268089971       12.0281314881
  F        15.6570560407        5.2693231302       12.6116365141
  C        16.7878631252        5.8810457575       13.0912240603
  H        10.7337125735       11.2931018540       18.9886763169
  H        13.0837070928       12.4705109945       15.5857243850
  H        13.0909986408        8.3700941999       16.8780736908
  H        15.5075586871       11.9746091636       16.2809789305
  H        17.7978923232       13.9132989684       13.1937153022
  H        15.1282405864       10.6864898371       12.1988355584
  H        12.7468054229       11.7073175609       13.0185278963
  H        10.2598653455        8.9022680799       10.9057592812
  H        12.9948084250        7.5031800509       13.9106230232
  H        15.6353213140        9.2332708302       17.1201787196
  H        17.8187550002        5.8567113185       15.5897625208
  H        15.1208096615        7.9872544677       13.0260219370
  F         2.7320121306       18.6331832813       20.1008338484
  C         2.7337182053       18.2914752590       18.7695712722
  F         1.4092798092       18.0796980661       18.4734059850
  F         3.3597979425       17.0874619025       18.6316384585
  C         3.3454630100       19.3560935925       17.9137112230
  C         4.1847186226       19.0331875573       16.8425635988
  C         4.6923606904       20.0190118055       15.9724968284
  C         4.2706953387       21.3372407106       16.2192747252
  C         3.4408140490       21.6641386748       17.2992091639
  C         2.9758176322       20.6797536889       18.1678243805
  C         2.9239396585       23.0645417617       17.4351157087
  F         2.2999312887       23.2922242431       18.6243316804
  F         3.9023903408       24.0241254406       17.3052230626
  F         1.9926552273       23.2933936665       16.4317245726
  B         5.6128682133       19.6402161321       14.6701541037
  C         6.6559197300       18.4180300107       14.9674500753
  C         7.2729985589       18.2848358003       16.2236180559
  C         8.2430374928       17.3092118576       16.4682895527
  C         8.6378083186       16.4149291286       15.4733255389
  C         8.0506119543       16.5434151634       14.2154274627
  C         7.0921420715       17.5342091534       13.9642738187
  C         8.4235304846       15.5967473469       13.1144000606
  F         7.3129177111       15.0305205964       12.5391530731
  F         9.2157483812       14.5691145638       13.5620669534
  F         9.1081635242       16.2276934472       12.1006392937
  C         8.7832545793       17.1552544058       17.8520799971
  F         8.9101138363       18.3673758148       18.4839778502
  F        10.0142379237       16.5640661483       17.8928072350
  F         7.9539504367       16.3793742927       18.6302640145
  C         6.6292847918       20.8560492915       14.2666874255
  C         7.2068397466       21.7058324907       15.2288829632
  C         8.1646264601       22.6676226619       14.8889326656
  C         8.5979362776       22.8162492307       13.5680139575
  C         8.0415304679       21.9749942975       12.6044463559
  C         7.0840029747       21.0161829580       12.9478409271
  C         8.4048141758       22.1125130389       11.1579893684
  F         8.8236412207       20.9055457440       10.6310639524
  F         9.3806851221       23.0322502311       10.9267387342
  F         7.3250147452       22.5146565004       10.4084164450
  C         8.6821881793       23.5857234791       15.9562288168
  F         9.6018845619       24.4691713450       15.4764924158
  F         7.6877115808       24.3578432760       16.5045332064
  F         9.2705896710       22.8897249951       17.0027512591
  C         4.5442955519       19.2825515036       13.4790643194
  C         4.0539691039       17.9795748014       13.2695397000
  C         3.0852769798       17.6952306794       12.2958599620
  C         2.5632344067       18.7106326329       11.4937543502
  C         3.0204833935       20.0177465012       11.7007457974
  C         3.9816382791       20.2952666469       12.6760480111
  C         2.3999655512       21.1144349032       10.8857156219
  F         2.3720358601       20.7826178669        9.5411837561
  F         1.0905394345       21.3343208070       11.2600360552
  F         3.0364812713       22.3171815693       10.9978496053
  C         2.5092823590       16.3089069890       12.1875086738
  F         1.9324857540       16.0520695753       10.9845487382
  F         3.4285093500       15.3141306441       12.3966022747
  F         1.5225855767       16.1211844531       13.1305444211
  H         4.4406103495       17.9883882714       16.6745149538
  H         4.5902949322       22.1339182885       15.5490690172
  H         2.3236983138       20.9321818506       18.9996048371
  H         6.9933850124       18.9580800054       17.0323522198
  H         9.3663309468       15.6366009305       15.6781898864
  H         6.6743225915       17.6091439924       12.9615980489
  H         6.9005486666       21.6256539502       16.2711633129
  H         9.3286874151       23.5716643943       13.2974740712
  H         6.6802547115       20.3807199050       12.1612774245
  H         4.4315257825       17.1609428669       13.8809209381
  H         1.8144518752       18.4910514942       10.7366119516
  H         4.3018959668       21.3266947322       12.8117804120
  F        15.6186531797        1.2750774321       -0.2928580976
  C        15.6616667426        1.6680107269        1.0285960062
  F        16.9910646694        1.8960975556        1.3187937398
  F        15.0495120580        2.8842662215        1.1015123773
  C        15.0724128236        0.6118012487        1.9261019856
  C        14.2357008559        0.9256628896        3.0043070260
  C        13.7412772418       -0.0699013100        3.8759777172
  C        14.1848784855       -1.3814786398        3.6424359192
  C        15.0054291833       -1.7036074875        2.5574297900
  C        15.4473806550       -0.7152121396        1.6774455891
  C        15.4680707841       -3.1194004286        2.3840297633
  F        16.0485327645       -3.3176726745        1.1716461377
  F        14.4479730218       -4.0416884011        2.4967430517
  F        16.4090824502       -3.4512200034        3.3550606355
  B        12.7934512999        0.2691477687        5.1672658590
  C        11.7345401666        1.4770918336        4.8530434024
  C        11.1239367164        1.5860354598        3.5876324966
  C        10.1457059120        2.5481824733        3.3215118076
  C         9.7292762549        3.4482173379        4.3069440826
  C        10.3118189056        3.3476566021        5.5677909459
  C        11.2872188150        2.3759471425        5.8365816669
  C         9.9411061015        4.3089761574        6.6586471218
  F        11.0630618668        4.8854151263        7.1930568622
  F         9.1291005623        5.3321050100        6.2354771663
  F         9.3033671435        3.6796509908        7.7004081717
  C         9.6239553565        2.7169311911        1.9298218674
  F         9.4968557379        1.5329394270        1.2491326654
  F         8.4033984538        3.3403653731        1.9039514543
  F        10.4693843830        3.4742802304        1.1649968859
  C        11.7979210936       -0.9730986109        5.5573179387
  C        11.2635798139       -1.8541395364        4.5987988506
  C        10.2979455794       -2.8118932234        4.9291379586
  C         9.8220735242       -2.9360896934        6.2375872911
  C        10.3424706325       -2.0728362553        7.2002820832
  C        11.3052645996       -1.1131875564        6.8661918044
  C         9.9454411652       -2.1883266537        8.6402399445
  F         9.5857546653       -0.9741797485        9.1688283095
  F         8.9070993403       -3.0504833121        8.8704646616
  F        11.0137788626       -2.6146228265        9.3933445825
  C         9.7533438322       -3.6994601140        3.8503795352
  F         8.8179308265       -4.5676166181        4.3254306071
  F        10.7200610401       -4.4533053779        3.2281156410
  F         9.1417492364       -2.9678616681        2.8554824331
  C        13.8554303042        0.6136493117        6.3649013372
  C        14.3466056038        1.9126428121        6.5806107066
  C        15.3241672849        2.1880353686        7.5470161468
  C        15.8617692288        1.1732075957        8.3349097206
  C        15.4106586182       -0.1328120936        8.1110888148
  C        14.4345293317       -0.4046401303        7.1493604825
  C        16.0236874137       -1.2300641882        8.9260371827
  F        16.0417942598       -0.8766646601       10.2644713517
  F        17.3294930507       -1.4918414867        8.5812552802
  F        15.3722550101       -2.4178393721        8.8052064634
  C        15.8739414134        3.5781377406        7.6411115735
  F        16.4726526249        3.8587592580        8.8383157741
  F        14.9147603096        4.5292873781        7.4115987322
  F        16.8267313631        3.7875154958        6.6702758452
  H        13.9651895027        1.9670156914        3.1730480580
  H        13.8823612349       -2.1785206345        4.3210058592
  H        16.0802820949       -0.9679489564        0.8313104478
  H        11.4190075139        0.9049905894        2.7901586617
  H         8.9886210547        4.2118523261        4.0915681270
  H        11.7119446574        2.3310234090        6.8387035190
  H        11.6025449866       -1.7970545711        3.5650943177
  H         9.0829752992       -3.6856966956        6.5006308952
  H        11.6776198120       -0.4559529343        7.6507230077
  H        13.9650415945        2.7372432877        5.9808562952
  H        16.6103643804        1.3903789044        9.0925251393
  H        14.1183499030       -1.4368982179        7.0068998510
  H        10.8046174285       11.7700541357        4.7704849191
  H        11.6176197626       10.0768819456        3.1442771161
     646
 i =       94, E =         0.0050749221
 Rh         3.6382166003        0.2369832454        4.8180841687
  P         5.3861882906        0.6383463597        6.2828568439
  C         5.2302236721       -0.2956173047        7.8726131276
  C         4.8273502252       -1.7681664390        7.6693048939
  C         4.5360912819       -2.4289121000        9.0270018940
  C         5.7216818126       -2.3019489522        9.9945600491
  C         6.1893127615       -0.8464158845       10.1411790169
  C         6.4665260777       -0.1880201067        8.7791958930
  C         5.6717075523        2.4050018436        6.7998294089
  C         4.6467142570        2.8163807777        7.8814471727
  C         4.6131904120        4.3277254961        8.1654565741
  C         4.5363297616        5.1571566282        6.8808449588
  C         5.7037626759        4.8007729118        5.9583261738
  C         5.6237258088        3.3221725332        5.5594521978
  C         6.9982077490        0.0913590100        5.5165509910
  C         6.9686087071        0.2288857863        3.9859901698
  P         5.3065076692       -0.2370631729        3.2885085536
  C         5.4540385138       -2.0249460004        2.7835798113
  C         4.3566866154       -2.4039939189        1.7692098242
  C         4.3771979408       -3.9021085082        1.4484163836
  C         4.2385863447       -4.7504700848        2.7143509571
  C         5.3651043702       -4.4270522131        3.7007122751
  C         5.4027557444       -2.9264474697        4.0390000009
  C         5.1415440056        0.7089258454        1.7057598993
  C         4.8672049410        2.2101583047        1.9213081683
  C         4.4323535776        2.8397145897        0.5871473531
  C         5.4887273007        2.6348794226       -0.5107002066
  C         5.9040880593        1.1603776844       -0.6505374895
  C         6.2934571444        0.5317091598        0.7010025163
  C         1.8783641568        0.3147682301        3.4695519090
  C         1.9053474879       -0.9379319686        4.0896848845
  C         1.0700325131       -0.8153625449        5.3774782401
  C         1.9358837021        0.1138579445        6.2548520210
  C         1.9068643918        1.3658493272        5.6404822071
  C         1.0239993332        1.2214181119        4.3838345892
  C        -0.0149507833        0.1876195189        4.8986415399
  H         4.3874232647        0.2087394403        8.3738348861
  H         5.6376124148       -2.3104154277        7.1594389652
  H         3.9474616451       -1.8314062039        7.0113155439
  H         4.2751970072       -3.4867785186        8.8809784600
  H         3.6492870254       -1.9506214843        9.4677125065
  H         5.4442702499       -2.7082394137       10.9781332011
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  H        13.0764978057        6.1023693618        8.9590868227
  H        12.5379395110        7.7094194187        9.4328890454
  H        14.3028377307        6.9096043842       11.0043439781
  H        15.4097576834        6.6485505046        9.6635100209
  H        15.9587053527        8.8101869215       10.7334236518
  H        14.2762744174        9.3409738687       10.5975758080
  H        16.2306845052        8.8621437386        8.2816292972
  H        15.6244700050       10.4130053083        8.8483098778
  H        10.0626754553       10.1162477575        2.4674673394
  H        11.2047319191        9.3265184603        7.1887619146
  H         9.0957739940       10.6288416339        6.4779365197
  H         8.0433064230        9.3870447221        4.3111586020
  H         8.5216346317        8.1852062975        5.5501698795
  H         9.9997426305        7.7899329334        3.3485743866
  H         9.1700578253       11.5930170582        4.1178457501
  H        11.6120676138        7.3786106336        5.3606331871
  F         8.5034662702       11.5987574791        1.4656860073
  C         7.2288912864       11.2412759305        1.0665568760
  F         6.4850010069       12.3773686032        1.0308055038
  F         7.3491972212       10.8243412355       -0.2345618807
  C         6.6304509213       10.1721322194        1.9295670758
  C         7.0175420896        8.8505587620        1.6833066494
  C         6.4473298021        7.8478161661        2.4603525105
  C         5.5290066769        8.1578775284        3.4771153291
  C         5.1459869065        9.4817733504        3.7632302716
  C         5.7221926431       10.4802851367        2.9472707500
  B         4.2370522204        9.8943885486        5.0729496090
  C         3.2192584665        8.7060747246        5.5727051501
  C         2.5767492102        7.8583563874        4.6576139835
  C         1.6542965858        6.8811667208        5.0594153294
  C         1.2930526953        6.7373183221        6.4008188087
  C         1.8929147601        7.6018450541        7.3257512015
  C         2.8395367103        8.5507827443        6.9194937905
  C         1.5842343017        7.5050275371        8.7969341619
  F         0.6303432173        6.5796074840        9.0907162452
  F         2.6869217090        7.1591218859        9.5339774794
  F         1.1754182969        8.7167836400        9.3111530356
  C         1.1540819219        5.9765078271        3.9693714224
  F         2.1800723617        5.2398924994        3.4413506088
  F         0.1935491238        5.0739770398        4.3300409235
  F         0.6514979637        6.7256229026        2.9277750400
  C         5.3473702004       10.2443230908        6.2118310175
  C         5.9123791264        9.1865104910        6.9317715862
  C         6.8596252700        9.3838547277        7.9376235712
  C         7.3123254232       10.6692686941        8.2494985906
  C         6.8143798250       11.7409767367        7.4910799638
  C         5.8486117663       11.5259565361        6.4965397943
  C         7.3330364082       13.1426308532        7.6991686126
  F         7.8472254298       13.3438433438        8.9474148473
  F         6.3551543496       14.0814085687        7.4846888299
  F         8.3393864264       13.4804561968        6.8171306686
  C         7.2736309650        8.1343822129        8.6594860998
  F         8.4341133573        8.2300883325        9.3836297750
  F         7.4257158310        7.0990782981        7.7768325416
  F         6.2865982630        7.7324231508        9.5345519306
  C         3.2226567842       11.1322461976        4.7899095847
  C         2.6232049267       11.2835082046        3.5315066089
  C         1.6684613979       12.2664622547        3.2878457594
  C         1.2780536311       13.1715710817        4.2780202357
  C         1.8553362411       13.0291932794        5.5394254438
  C         2.7907307905       12.0179867543        5.7948676086
  C         1.1066187640       12.3801988917        1.9154202348
  F         1.0158578218       11.1554569210        1.3116980529
  F         1.8934104532       13.1556095858        1.0970443390
  F        -0.1569747199       12.9028669188        1.9032546250
  C         6.8220358077        6.4132348811        2.2177980184
  F         7.6156103939        6.2388886516        1.1138227532
  F         7.4987366688        5.8845886687        3.2979003155
  F         5.7124222992        5.6254988384        2.0530428528
  F         0.7128978295       15.0290382299        6.2353793305
  F         0.8946868683       13.3789056718        7.6963849515
  F         2.6780284757       14.5682059154        7.1194378274
  C         1.5258395062       13.9962170500        6.6380156638
  H         7.7360363955        8.6104386290        0.9051650980
  H         5.1070254649        7.3401201636        4.0602958165
  H         5.4560283753       11.5236936991        3.1118980906
  H         2.8046079151        7.9467781329        3.5957437059
  H         0.5890160595        5.9730334634        6.7149621430
  H         3.3015153546        9.1787528970        7.6802737433
  H         5.5989031869        8.1697240603        6.7068742450
  H         8.0424692155       10.8346798319        9.0349611898
  H         5.4681034959       12.3863959765        5.9471441481
  H         2.9009272104       10.6085693500        2.7223042147
  H         0.5628019216       13.9576226606        4.0698184979
  H         3.1963148359       11.9264827121        6.8033578888
  F         9.9830544730        8.3888943685       18.4856008674
  C        11.2760630460        8.6563030355       18.8868042501
  F        11.9351044333        7.4694623341       18.8445156814
  F        11.2164472458        9.0175838678       20.2231993066
  C        11.8828941784        9.7258287435       18.0221756444
  C        11.4329443626       11.0382390641       18.1971363844
  C        11.8867007418       12.0126079126       17.3073158978
  C        12.7678386404       11.6825262890       16.2687724906
  C        13.2464492232       10.3748518442       16.0788995475
  C        12.7719412053        9.4041834906       16.9879715696
  B        14.1579764415        9.9813811832       14.7700214673
  C        15.1623271559       11.1870138113       14.3006489281
  C        15.7696995728       12.0515026160       15.2264602517
  C        16.7036845163       13.0198540862       14.8379347733
  C        17.0862838848       13.1519432205       13.4980223159
  C        16.5051341808       12.2888691688       12.5613969206
  C        15.5643186340       11.3319703591       12.9593979285
  C        16.8419277220       12.3978955242       11.0971924576
  F        17.8574095121       13.2702403448       10.8524325741
  F        15.7541473966       12.8160992668       10.3456920150
  F        17.2355127483       11.1911516442       10.5615526108
  C        17.2394021768       13.9420173254       15.8971400839
  F        16.2462298222       14.6724575764       16.4975450842
  F        18.1483537689       14.8385185746       15.4059155982
  F        17.8387682240       13.2541798964       16.9341965943
  C        13.0525060129        9.6431997591       13.5962545130
  C        12.4472024181       10.6737439471       12.8468834718
  C        11.4634423613       10.4130726215       11.8827061502
  C        11.0355978097        9.1083912491       11.6369615197
  C        11.6031120651        8.0753764704       12.3850441174
  C        12.5862623619        8.3383577374       13.3445510526
  C        11.0274785889        6.6989858653       12.2312050219
  F        10.4970888618        6.4946972452       10.9940362168
  F        11.9230007203        5.6910386154       12.4653233164
  F        10.0061763551        6.4974411495       13.1314960862
  C        10.9008741058       11.5263106997       11.0453738125
  F         9.7393430653       11.1778921393       10.4116978253
  F        10.6242207157       12.6602719490       11.7437890076
  F        11.7664619681       11.8877960531       10.0459482816
  C        15.1953835265        8.7435045452       15.0511028812
  C        15.8596828243        8.5683280156       16.2867800238
  C        16.8101960519        7.5572997022       16.4646171588
  C        17.1134449391        6.6651674315       15.4329824897
  C        16.4840557137        6.8309327459       14.2078939540
  C        15.5641027578        7.8679046857       14.0132130349
  C        17.4844563592        7.2665392147       17.7710553578
  F        17.6135896371        8.3290479935       18.6224269611
  F        16.7937030971        6.3142240803       18.4809095912
  F        18.7596189734        6.7890943188       17.5409944032
  C        11.3914727260       13.4253219329       17.4295974796
  F        10.7858647929       13.6683263669       18.6257267755
  F        10.4810417773       13.7343322031       16.4317003499
  F        12.4021211376       14.3401503275       17.3057889006
  F        17.6311514760        4.8723854946       13.4879540708
  F        17.3767556222        6.5267091474       12.0288180997
  F        15.6562914395        5.2699229254       12.6112739465
  C        16.7878705858        5.8808316295       13.0906837255
  H        10.7347659675       11.2932543266       18.9894117705
  H        13.0843890018       12.4709784174       15.5860299355
  H        13.0894199293        8.3699578006       16.8766617540
  H        15.5061829064       11.9758964434       16.2807850203
  H        17.7980140999       13.9132786948       13.1936225449
  H        15.1293530760       10.6857106010       12.1990372424
  H        12.7468080893       11.7073149367       13.0181947475
  H        10.2615569131        8.9019379321       10.9038269614
  H        12.9929486519        7.5037477600       13.9125131862
  H        15.6347621207        9.2328884571       17.1199609426
  H        17.8193058587        5.8572902675       15.5893418519
  H        15.1200294301        7.9868959454       13.0257539515
  F         2.7313075273       18.6316518591       20.1006710684
  C         2.7333077702       18.2922785296       18.7686762934
  F         1.4100057054       18.0788535975       18.4747083519
  F         3.3583758232       17.0872264793       18.6325541131
  C         3.3453326886       19.3566949975       17.9130701436
  C         4.1849661442       19.0325324022       16.8419709044
  C         4.6919404717       20.0184145902       15.9733536722
  C         4.2711978545       21.3371810240       16.2195331808
  C         3.4401712122       21.6637144849       17.2999678299
  C         2.9752802167       20.6794405059       18.1669216396
  C         2.9239892742       23.0645359976       17.4347715976
  F         2.3000418409       23.2922537943       18.6241757617
  F         3.9022649963       24.0242685175       17.3053690124
  F         1.9926700721       23.2935417926       16.4319398951
  B         5.6129593601       19.6401045644       14.6699746253
  C         6.6553801332       18.4175508836       14.9674741896
  C         7.2726925984       18.2842549680       16.2237473223
  C         8.2428897830       17.3094355156       16.4685589704
  C         8.6385997927       16.4147729618       15.4731105736
  C         8.0501631526       16.5436605752       14.2152486926
  C         7.0918668033       17.5334113573       13.9648415785
  C         8.4235543604       15.5967343382       13.1144200426
  F         7.3129551530       15.0305691727       12.5390807274
  F         9.2158376280       14.5689814864       13.5620636877
  F         9.1080726225       16.2276583952       12.1006411773
  C         8.7832957923       17.1552731037       17.8519937909
  F         8.9101641395       18.3673794346       18.4839472161
  F        10.0141704243       16.5640456357       17.8927866084
  F         7.9539777777       16.3793298273       18.6302578993
  C         6.6297048697       20.8558130330       14.2666216422
  C         7.2071126179       21.7051484784       15.2289147361
  C         8.1646046956       22.6675919110       14.8889470627
  C         8.5975304706       22.8167082587       13.5679254805
  C         8.0413950932       21.9750386856       12.6042473229
  C         7.0838932670       21.0157565878       12.9478789846
  C         8.4047818285       22.1125023049       11.1580893978
  F         8.8236257072       20.9056170251       10.6310805009
  F         9.3806454420       23.0322360952       10.9266154881
  F         7.3250393156       22.5146919317       10.4083166292
  C         8.6821743977       23.5856969396       15.9562164852
  F         9.6018747783       24.4691761234       15.4764938088
  F         7.6877128552       24.3578711697       16.5045079355
  F         9.2706228127       22.8897172381       17.0027374198
  C         4.5440735108       19.2826389656       13.4791512629
  C         4.0539871874       17.9796443832       13.2696419798
  C         3.0848596976       17.6951359899       12.2957361455
  C         2.5627411402       18.7108882480       11.4939674903
  C         3.0201584891       20.0175411116       11.7009429078
  C         3.9814918234       20.2953283124       12.6763350077
  C         2.3998497595       21.1145665227       10.8856730476
  F         2.3721038101       20.7827528194        9.5413418460
  F         1.0904643517       21.3344074293       11.2598575461
  F         3.0363615718       22.3171507168       10.9976906664
  C         2.5093142507       16.3091173128       12.1876046406
  F         1.9324836539       16.0520471486       10.9845265868
  F         3.4285343645       15.3140605802       12.3965359131
  F         1.5225154301       16.1211171793       13.1305225553
  H         4.4403163449       17.9893025840       16.6743906296
  H         4.5915840098       22.1346986675       15.5494950971
  H         2.3221429920       20.9320212601       18.9984625215
  H         6.9925881722       18.9573982939       17.0326326001
  H         9.3671986922       15.6375987390       15.6777704978
  H         6.6731298145       17.6080593899       12.9617834844
  H         6.9014285360       21.6246985021       16.2712928494
  H         9.3275587969       23.5725162462       13.2972236024
  H         6.6804867196       20.3805374773       12.1613008962
  H         4.4315104057       17.1608915249       13.8807870658
  H         1.8136948596       18.4912717273       10.7373789703
  H         4.3015196621       21.3267516479       12.8120806676
  F        15.6182456403        1.2752814153       -0.2928947142
  C        15.6617779622        1.6681040337        1.0286942333
  F        16.9913045302        1.8960562719        1.3186395252
  F        15.0493872132        2.8841691141        1.1011200178
  C        15.0724165604        0.6116907391        1.9261863683
  C        14.2351005326        0.9254656475        3.0035531013
  C        13.7406101212       -0.0697992158        3.8752267260
  C        14.1838118041       -1.3816841296        3.6419086961
  C        15.0055144068       -1.7035762218        2.5573153043
  C        15.4483520733       -0.7149771800        1.6780573265
  C        15.4679487410       -3.1193185702        2.3840072373
  F        16.0485148789       -3.3177180471        1.1717143243
  F        14.4479982167       -4.0416621718        2.4967445415
  F        16.4091250107       -3.4512972687        3.3550968074
  B        12.7929870174        0.2693809967        5.1667879259
  C        11.7345948818        1.4777943754        4.8525334439
  C        11.1242754921        1.5868173512        3.5874157686
  C        10.1456337279        2.5489099826        3.3213001794
  C         9.7295265474        3.4486777831        4.3070794875
  C        10.3118633989        3.3481705411        5.5673115548
  C        11.2874785665        2.3763449855        5.8364749246
  C         9.9417878493        4.3092481585        6.6587448086
  F        11.0648024007        4.8851461083        7.1928098596
  F         9.1293024371        5.3322067593        6.2356078693
  F         9.3035455881        3.6797372898        7.7003911692
  C         9.6237818085        2.7171013727        1.9294874437
  F         9.4970763948        1.5329454053        1.2492193329
  F         8.4035706527        3.3406913757        1.9040443748
  F        10.4692823547        3.4743661290        1.1650275318
  C        11.7970749457       -0.9721532921        5.5570567481
  C        11.2622039395       -1.8529814643        4.5981993595
  C        10.2973841577       -2.8114365552        4.9290502904
  C         9.8221990730       -2.9359341976        6.2374438606
  C        10.3424117277       -2.0725279507        7.2001723082
  C        11.3048066566       -1.1127933288        6.8659443536
  C         9.9454818028       -2.1882417087        8.6401874047
  F         9.5856533885       -0.9742204629        9.1688447407
  F         8.9071061528       -3.0504407445        8.8705236413
  F        11.0137380375       -2.6146274348        9.3933291391
  C         9.7532484809       -3.6993375686        3.8503369572
  F         8.8178828414       -4.5675905228        4.3254792338
  F        10.7200211227       -4.4532716539        3.2281021291
  F         9.1416535621       -2.9678305763        2.8553925016
  C        13.8552854283        0.6142283110        6.3644616399
  C        14.3460793649        1.9120080034        6.5799435330
  C        15.3244053889        2.1877790011        7.5462467170
  C        15.8618305923        1.1725523920        8.3331862775
  C        15.4113601913       -0.1321330012        8.1111272674
  C        14.4335631837       -0.4053397972        7.1487674317
  C        16.0234905862       -1.2300901015        8.9257332337
  F        16.0417318298       -0.8766163540       10.2643320989
  F        17.3295380313       -1.4918610037        8.5812651621
  F        15.3722700470       -2.4178789769        8.8052546334
  C        15.8738897891        3.5782276250        7.6399278580
  F        16.4728942994        3.8586327148        8.8352852155
  F        14.9145923138        4.5292149390        7.4113292768
  F        16.8268273729        3.7874229908        6.6695928996
  H        13.9638102677        1.9669805363        3.1717522068
  H        13.8804510231       -2.1786439801        4.3195381655
  H        16.0825784964       -0.9676047016        0.8327765971
  H        11.4194043226        0.9061206531        2.7894442758
  H         8.9885719641        4.2125944120        4.0913671352
  H        11.7119203361        2.3313811646        6.8382064292
  H        11.6002230856       -1.7948814153        3.5643361081
  H         9.0833189665       -3.6859639341        6.5006869950
  H        11.6774343370       -0.4555424620        7.6504654133
  H        13.9645541916        2.7374382923        5.9804911270
  H        16.6120659893        1.3901875864        9.0905462006
  H        14.1173994634       -1.4364364888        7.0071892273
  H        10.8049348678       11.7698156714        4.7682337979
  H        11.6161321565       10.0757527417        3.1429590408
     646
 i =       95, E =         0.0000207172
 Rh         3.6383084894        0.2370032634        4.8180635467
  P         5.3862257642        0.6383440982        6.2829087102
  C         5.2302074975       -0.2957736927        7.8726126454
  C         4.8274791660       -1.7683283966        7.6692319121
  C         4.5360781284       -2.4290498949        9.0269303000
  C         5.7216692574       -2.3021767423        9.9944954713
  C         6.1892755037       -0.8466395518       10.1411771069
  C         6.4664443733       -0.1881218432        8.7792247444
  C         5.6716742654        2.4050181894        6.7999218236
  C         4.6465860088        2.8164403638        7.8814155545
  C         4.6133607157        4.3277678929        8.1654961033
  C         4.5364158211        5.1572794935        6.8809422983
  C         5.7036428883        4.8008090359        5.9581994573
  C         5.6238166793        3.3221476031        5.5595040806
  C         6.9982347630        0.0913777259        5.5166093823
  C         6.9686952900        0.2288872471        3.9860412583
  P         5.3065554808       -0.2370742819        3.2885864163
  C         5.4542419078       -2.0249383641        2.7836837127
  C         4.3569999141       -2.4039395666        1.7691413461
  C         4.3772660597       -3.9021241548        1.4485225267
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  F         7.3491652727       10.8243077681       -0.2346230168
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  C         6.4473313118        7.8477332898        2.4603280759
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  C         5.7222876061       10.4804825237        2.9473463894
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  C         2.5768508862        7.8582374042        4.6576471836
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  F         2.6874223832        7.1590471302        9.5346489991
  F         1.1751129379        8.7173211301        9.3115940891
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  F         0.1934417733        5.0738536097        4.3300127914
  F         0.6514591683        6.7256064218        2.9276769644
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  F         7.4257112253        7.0990655953        7.7768467119
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  C         1.2797196886       13.1694904722        4.2782935940
  C         1.8540436844       13.0303316535        5.5383422960
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  C         1.1067349383       12.3799083608        1.9151876094
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  F         1.8934725261       13.1557477983        1.0970994527
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  F        11.2165150126        9.0175073518       20.2231148824
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  C        13.2464781107       10.3740404436       16.0790559469
  C        12.7717067721        9.4049118955       16.9878228697
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  C        15.7695833499       12.0516278033       15.2266548038
  C        16.7036433351       13.0198771141       14.8378602539
  C        17.0863119370       13.1520051147       13.4981228349
  C        16.5051228330       12.2887777471       12.5612364482
  C        15.5644681089       11.3320650586       12.9595659484
  C        16.8418396379       12.3979837237       11.0971263345
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  F        15.7542341639       12.8160530871       10.3458225264
  F        17.2355339473       11.1910930145       10.5615821043
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  F        18.1483325539       14.8385389588       15.4059196220
  F        17.8387637617       13.2541626191       16.9342003255
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  C        11.0275071805        6.6990664031       12.2312387931
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  F        11.9229358077        5.6910936900       12.4653207413
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  F        10.6239947492       12.6603786504       11.7441154043
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  C        15.8599107546        8.5680174844       16.2868392725
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  C        16.4833409833        6.8314775104       14.2073962616
  C        15.5641151541        7.8677907943       14.0132300376
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  F        16.7937577626        6.3142773015       18.4809528603
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  C        14.4340421856       -0.4045365835        7.1491613092
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  H        14.1171237410       -1.4367752828        7.0071691928
  H        10.8049527992       11.7697977105        4.7678376734
  H        11.6158669527       10.0755591415        3.1427751740
     646
 i =       96, E =         0.0055806280
 Rh         3.6386270786        0.2371367060        4.8181948470
  P         5.3863410150        0.6383330171        6.2830875705
  C         5.2301262996       -0.2963215029        7.8725916071
  C         4.8279443613       -1.7689687931        7.6689707484
  C         4.5360295531       -2.4295639837        9.0266586018
  C         5.7216129035       -2.3030051124        9.9942404151
  C         6.1891299728       -0.8474664694       10.1411826462
  C         6.4661530462       -0.1885260706        8.7793666992
  C         5.6715648207        2.4050716331        6.8002794568
  C         4.6460749444        2.8166783409        7.8812628270
  C         4.6139890718        4.3279438539        8.1656828678
  C         4.5367020995        5.1576530653        6.8812777401
  C         5.7032080820        4.8009842575        5.9576984607
  C         5.6241093044        3.3220529007        5.5596987053
  C         6.9983548769        0.0914403687        5.5168450267
  C         6.9689919897        0.2288975158        3.9862424244
  P         5.3067450672       -0.2370933640        3.2888580075
  C         5.4549658254       -2.0248961630        2.7840639328
  C         4.3582052090       -2.4037722895        1.7689029489
  C         4.3774540358       -3.9021540854        1.4489447009
  C         4.2389899212       -4.7501540307        2.7151796386
  C         5.3659912805       -4.4268430712        3.7009939733
  C         5.4032908791       -2.9263099664        4.0394445580
  C         5.1405773699        0.7086082218        1.7059607265
  C         4.8659425431        2.2097452845        1.9215177107
  C         4.4322225343        2.8398719789        0.5871823807
  C         5.4893388928        2.6351628235       -0.5099213040
  C         5.9035868205        1.1604573201       -0.6503772558
  C         6.2921406207        0.5308184290        0.7009503159
  C         1.8786998926        0.3146972828        3.4699082789
  C         1.9056165242       -0.9373955046        4.0900426058
  C         1.0704601971       -0.8145961033        5.3780382537
  C         1.9365490023        0.1144279751        6.2553694110
  C         1.9075816050        1.3669344179        5.6401548261
  C         1.0246359550        1.2219674563        4.3838290043
  C        -0.0144708099        0.1883287020        4.8988649272
  H         4.3869584973        0.2076051313        8.3736235495
  H         5.6388826218       -2.3110528297        7.1599769376
  H         3.9485991602       -1.8328772934        7.0102634321
  H         4.2745672837       -3.4873074586        8.8807598894
  H         3.6494354943       -1.9507334886        9.4672073733
  H         5.4442935391       -2.7095477655       10.9776944137
  H         6.5572203153       -2.9182298234        9.6340214231
  H         7.0974607522       -0.7957338986       10.7596603236
  H         5.4117332587       -0.2674834762       10.6631409999
  H         6.7678070774        0.8572951562        8.9230659992
  H         7.3131491305       -0.6911542258        8.2947241507
  H         6.6850260019        2.4571780793        7.2303555499
  H         4.8659609010        2.2840204693        8.8163748514
  H         3.6426139562        2.4898534419        7.5746208892
  H         5.5166181116        4.6189907984        8.7217251202
  H         3.7609412955        4.5445783749        8.8249576631
  H         4.5341673284        6.2284452377        7.1264897935
  H         3.5889575613        4.9623788762        6.3574613219
  H         6.6531173224        4.9958725175        6.4744954327
  H         5.7071418013        5.4253194016        5.0551135315
  H         6.4399371601        3.0668786785        4.8675854632
  H         4.6849063248        3.1408560356        5.0115331787
  H         7.8360445823        0.6552679051        5.9520450522
  H         7.1391122565       -0.9599113008        5.8054090075
  H         7.7635273442       -0.3647538409        3.5116707786
  H         7.1335973908        1.2755244597        3.6935443707
  H         6.4372143004       -2.1449895693        2.2987228104
  H         4.4723439867       -1.8262061156        0.8419494289
  H         3.3702592040       -2.1401691214        2.1689503322
  H         5.3204209065       -4.1522570406        0.9416942013
  H         3.5694059014       -4.1281011060        0.7419630022
  H         4.2403113683       -5.8175098955        2.4545341283
  H         3.2632488830       -4.5569859000        3.1852851901
  H         5.2423783918       -4.9953560324        4.6351460606
  H         6.3299250086       -4.7355442848        3.2710083505
  H         6.2669125894       -2.7183456332        4.6873661329
  H         4.5074762966       -2.6603910341        4.6238138330
  H         4.2290185164        0.2745912285        1.2622810774
  H         5.7787969618        2.7056892825        2.2845337638
  H         4.0965662168        2.3571832847        2.6946021602
  H         4.2267289453        3.9109971677        0.7222204708
  H         3.4822504018        2.3800860149        0.2756583426
  H         6.3765734172        3.2423946419       -0.2786063794
  H         5.1043094525        3.0088190820       -1.4702479014
  H         6.7442825909        1.0695128243       -1.3540243479
  H         5.0679501221        0.5853167162       -1.0802453116
  H         7.1893734494        1.0270240633        1.0917009972
  H         6.5529901847       -0.5262444355        0.5634100560
  H         2.1154657025        0.5362890278        2.4328183388
  H         2.1748504766       -1.8891720454        3.6422996351
  H         0.7537944704       -1.7550644068        5.8351075804
  H         2.2254704089       -0.1064098493        7.2786627790
  H         2.1791167227        2.3206171021        6.0832169067
  H         0.6629140598        2.1529568651        3.9401650874
  H        -0.6364862711        0.5716275537        5.7142786394
  H        -0.6432779408       -0.2177254688        4.0999054508
 Rh        14.7184087101       19.6359572714       14.9738696456
  P        12.9511050617       19.2041142407       13.5265565741
  C        13.1236879047       20.1880608007       11.9630495728
  C        13.5034579212       21.6596736094       12.2117845822
  C        13.8473688518       22.3535525289       10.8833633930
  C        12.6914736349       22.2515089698        9.8784471835
  C        12.2588397978       20.7929717399        9.6691040502
  C        11.9330625327       20.0867357817       10.9980923548
  C        12.6551454013       17.4561360248       12.9509951073
  C        13.6655596191       17.0370226624       11.8614882224
  C        13.5957940001       15.5335027835       11.5515709723
  C        13.7861509254       14.7075857674       12.8263751581
  C        12.6820016166       15.0377293809       13.8349299111
  C        12.6841532860       16.5327839607       14.1895268236
  C        11.3295147832       19.6848339466       14.3343123853
  C        11.4111230893       19.6756033555       15.8727914462
  P        13.0893426287       20.1709987869       16.5160500763
  C        12.9321748389       21.9716187052       16.9597294130
  C        13.9864998135       22.4325946574       17.9893808913
  C        13.9984326522       23.9618457003       18.1681191558
  C        14.0832611939       24.7166481812       16.8372189916
  C        12.9437621943       24.2939230287       15.9083911726
  C        13.0228954710       22.7855180799       15.6513856533
  C        13.3281763414       19.2271477524       18.0934015938
  C        13.5920051741       17.7353150631       17.8068333965
  C        14.0373792294       17.0193928944       19.0898996272
  C        12.9940223389       17.1727066410       20.2074001576
  C        12.6221755163       18.6461290711       20.4496929946
  C        12.2250080606       19.3825717968       19.1533351683
  C        16.4426924636       19.6327238407       16.3556672635
  C        16.4630155545       20.8245632038       15.6231051992
  C        17.3246726329       20.5586022436       14.3730624913
  C        16.4496858795       19.5772552314       13.5621025346
  C        16.4248363616       18.3871487982       14.2904189057
  C        17.2862579176       18.6211557006       15.5491565887
  C        18.3691520222       19.5753287283       14.9713083811
  H        13.9939862377       19.7049584279       11.4871609858
  H        12.6630950678       22.1841271130       12.6903408467
  H        14.3510406940       21.7165336578       12.9120023832
  H        14.1074456998       23.4055506522       11.0658954662
  H        14.7470890688       21.8822486222       10.4603061226
  H        12.9857385758       22.7004361211        8.9181971823
  H        11.8358291700       22.8379199877       10.2418003661
  H        11.3812625354       20.7427042341        9.0077315169
  H        13.0715004822       20.2458238337        9.1657121826
  H        11.6632479473       19.0403255954       10.8070156570
  H        11.0521422815       20.5547603947       11.4557787059
  H        11.6444587086       17.4312414701       12.5114285795
  H        13.4804187383       17.6096883252       10.9424895280
  H        14.6882650698       17.2875866927       12.1794266346
  H        12.6203119912       15.2905470343       11.1051600316
  H        14.3555053148       15.2812053757       10.7980246081
  H        13.7972049442       13.6340102498       12.5921646574
  H        14.7694401974       14.9300628340       13.2681852657
  H        11.7082167505       14.7469939452       13.4172473937
  H        12.8113606088       14.4635335102       14.7623288202
  H        11.8282851531       16.7641676893       14.8421976671
  H        13.5879930917       16.7610257157       14.7768415659
  H        10.5387619050       19.0027222749       13.9887413294
  H        11.0635956978       20.6847758297       13.9645064700
  H        10.6358892797       20.3166986736       16.3167002837
  H        11.2393540366       18.6597994098       16.2556298624
  H        11.9285314176       22.1128174270       17.3922515960
  H        13.7946647263       21.9608071544       18.9636892933
  H        14.9871900481       22.0986236618       17.6822143703
  H        13.0852300052       24.2728004032       18.6950759926
  H        14.8417757946       24.2380797279       18.8153664888
  H        14.0606520382       25.7987604874       17.0230499589
  H        15.0477458413       24.5195650259       16.3463959614
  H        12.9871873773       24.8275927498       14.9488534865
  H        11.9750631102       24.5434075449       16.3639277001
  H        12.2388213909       22.4698487837       14.9495670857
  H        13.9821476721       22.5527029216       15.1607900106
  H        14.2567886599       19.6591207255       18.5038618215
  H        12.6706131303       17.2659501791       17.4298456336
  H        14.3469911913       17.6280990355       17.0122455973
  H        14.2191084416       15.9559673335       18.8769031201
  H        15.0011864711       17.4382936511       19.4165150229
  H        12.0912593596       16.6043631221       19.9398073071
  H        13.3723661502       16.7259418848       21.1383568777
  H        11.7934055518       18.7089209284       21.1706561053
  H        13.4788809600       19.1656391593       20.9075906675
  H        11.2845870679       18.9656525832       18.7688677151
  H        12.0339639081       20.4412798768       19.3695832015
  H        16.1891532781       19.5184694118       17.4054302125
  H        16.2084669436       21.8190237983       15.9792717122
  H        17.6814315011       21.4419986184       13.8380606136
  H        16.1859113092       19.7097891850       12.5168510407
  H        16.1239340765       17.4051904520       13.9349952615
  H        17.6052570499       17.7251163574       16.0870435471
  H        19.0028693018       19.1023331208       14.2130514799
  H        18.9879213084       20.0369893068       15.7497809084
 Rh         5.9693216874       10.0636999790       14.9861432394
  P         4.1663026760        9.5890683603       13.6109924872
  C         3.7750653441        7.8431435906       13.0922669251
  C         3.6908176737        6.9071056207       14.3182417928
  C         3.6600867440        5.4237003183       13.9130005425
  C         4.8626600480        5.0751169389       13.0334989503
  C         4.7935371695        5.8909527423       11.7425207865
  C         4.8086835465        7.3968923465       12.0388271753
  C         2.5884182590       10.2100133162       14.3797376494
  C         2.6586602904       10.1159142114       15.9090534789
  P         4.3427456332       10.6132579072       16.5285200067
  C         4.1446356564       12.3851801659       17.0441879346
  C         3.9955655277       13.2765051721       15.7912952124
  C         4.0756091540       14.7748377393       16.1178187734
  C         5.3773527429       15.0828808425       16.8614713509
  C         5.4133588729       14.3002452227       18.1754677599
  C         5.3293394366       12.7885744735       17.9454231527
  C         4.5839111635        9.6741056052       18.1012893153
  C         4.9412001264        8.1993722249       17.8348212697
  C         5.2277791168        7.4782188748       19.1588856119
  C         4.0266943863        7.5789196173       20.1101121090
  C         3.3936980289        9.8063228844       19.0642253997
  C         3.6568705927        9.0462057880       20.3741560839
  C         4.3688167838       10.5417585649       12.0373986055
  C         4.7038267355       12.0221891527       12.3035636602
  C         5.0003283231       12.7613443058       10.9883786122
  C         3.8621434068       12.5999292157        9.9696519708
  C         3.5001294080       11.1248507537        9.7467537200
  C         3.1867101145       10.4086520032       11.0701942502
  C         7.8132968031       11.1857584758       15.5481026018
  C         7.5848557834        8.6897308889       14.3520909378
  C         8.4872286929        8.9321049674       15.5801456916
  C         9.6188473252        9.7746751908       14.9292810593
  C         8.6307034413       10.7966057443       14.2995645189
  C         7.7331120727       10.0426346103       16.3447218121
  C         7.6731725284        9.8364528608       13.5587034280
  H         2.7804548588        7.8769953326       12.6173753544
  H         4.5574576082        7.0787038748       14.9752036644
  H         2.7963741669        7.1510022121       14.9113007257
  H         2.7372425919        5.1998516167       13.3605768767
  H         3.6346171779        4.8099267995       14.8204046586
  H         5.7957263083        5.2958914334       13.5743251278
  H         4.8926978223        4.0007413502       12.8059101821
  H         5.6285696724        5.6511397465       11.0702031838
  H         3.8731550211        5.6267826052       11.2022966816
  H         4.6227669381        7.9495807390       11.1122901090
  H         5.8192317927        7.6793977410       12.3677549599
  H         2.4724671515       11.2555092141       14.0624062119
  H         1.7263215245        9.6567523281       13.9807692225
  H         1.8853199328       10.7327776482       16.3884838309
  H         2.4981212452        9.0795270487       16.2367145655
  H         3.2131660452       12.4528743956       17.6290068555
  H         4.7926634448       13.0264150717       15.0742659965
  H         3.0420280694       13.0530108132       15.2921607015
  H         3.9956855775       15.3500418953       15.1841022054
  H         3.2192970500       15.0719723176       16.7402912190
  H         5.4815130909       16.1574677849       17.0607861666
  H         6.2377921033       14.8075567020       16.2324342812
  H         6.3233689538       14.5252555950       18.7449275426
  H         4.5646047227       14.6174630652       18.7975980759
  H         6.2721642079       12.4394950495       17.5001923557
  H         5.2425509610       12.2787590344       18.9151973168
  H         5.4649085805       10.1481030310       18.5645462219
  H         5.8062709025        8.1428836385       17.1560187653
  H         4.1091206329        7.6983570475       17.3192740882
  H         6.1092530082        7.9376094426       19.6300881937
  H         5.4907629639        6.4282617598       18.9667889879
  H         4.2397923569        7.0644145620       21.0569229157
  H         3.1675537629        7.0610297854       19.6592144589
  H         3.1806915877       10.8628814779       19.2723826559
  H         2.4964169491        9.3931515765       18.5860132129
  H         4.4799060399        9.5367476872       20.9180393590
  H         2.7670239900        9.1107911644       21.0171838037
  H         5.2540771876       10.0785986539       11.5710231658
  H         5.5625780420       12.0941417432       12.9913062144
  H         3.8557297654       12.5059997439       12.8108253394
  H         5.1728675353       13.8265274177       11.1970668510
  H         5.9381515453       12.3750025031       10.5643964544
  H         4.1437079272       13.0695978614        9.0157859415
  H         2.9729377272       13.1374662004       10.3260019826
  H         2.6338030034       11.0385652998        9.0751776893
  H         4.3418181490       10.6099951125        9.2560746997
  H         2.2885569053       10.8473451481       11.5259850878
  H         2.9549593344        9.3546275314       10.8815790354
  H         7.6247466037       12.2129616699       15.8500369420
  H         7.2216735721        7.7097095822       14.0543069369
  H         8.7594922844        8.0446137250       16.1563630030
  H        10.2984567111       10.2255102830       15.6627502470
  H        10.1885286317        9.2134073129       14.1828053863
  H         9.0368859069       11.6258601188       13.7143328923
  H         7.4948694453       10.0025290199       17.4039617927
  H         7.3961638144        9.9321523455       12.5120664643
 Rh        12.6617551327        9.7984559812        4.6971909856
  P        14.3027947913       10.0618408292        6.1668331922
  C        14.4378667564       11.8664252874        6.6648830218
  C        14.7266724209       12.8359506190        5.5010161787
  C        14.7674922004       14.3022859167        5.9796013653
  C        13.5038089361       14.7010572412        6.7494585617
  C        13.2974847508       13.7573898224        7.9362918646
  C        13.1893187689       12.3042759481        7.4519817281
  C        15.9696098464        9.6487569886        5.4389862046
  C        15.9662507489        9.8754975772        3.9163349070
  P        14.3109656083        9.4308960533        3.2051371661
  C        14.3800638142        7.6265629051        2.7117313819
  C        14.5683889175        6.7050881828        3.9355778181
  C        14.4433564314        5.2137462450        3.5752677240
  C        13.1106441255        4.9224031750        2.8791387813
  C        12.9958738958        5.7715435269        1.6107164707
  C        13.1007895892        7.2695536029        1.9244608155
  C        14.1232971393       10.3365584596        1.6070115780
  C        13.9346292415       11.8455896991        1.8454075905
  C        13.5645788280       12.5540240340        0.5352264961
  C        14.5945029209       12.2760631521       -0.5688360040
  C        15.1968285706       10.0659026420        0.5428398727
  C        14.8197986341       10.7698675798       -0.7713965147
  C        14.1504135534        9.1884161349        7.7889850446
  C        13.7631677597        7.7063545121        7.6558057565
  C        13.4016440968        7.1475046315        9.0407200946
  C        14.5821478493        7.2828645535       10.0093615422
  C        15.0581712969        8.7392341472       10.1064316971
  C        15.3569946821        9.3552746650        8.7263279294
  C        10.5192747857        9.9794471905        3.4546029482
  C        10.8800228452        9.3516699622        6.1523858087
  C         9.6369666152       10.1191425109        5.6808852770
  C         8.8768953046        9.0030908014        4.9137289819
  C        10.1155267999        8.5922584316        4.0849750524
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  H        13.8990343845       10.3139026401       -1.1690380885
  H        15.6084355275       10.5981877108       -1.5190399168
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  H        11.6125434440        7.3801266122        5.3634457835
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  F         7.3491018682       10.8242710101       -0.2347631274
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  C         7.0163727645        8.8506194922        1.6825884788
  C         6.4472214942        7.8476675368        2.4603337511
  C         5.5297092094        8.1578845076        3.4777632145
  C         5.1463933998        9.4817718506        3.7638048798
  C         5.7226986105       10.4805670127        2.9476695787
  B         4.2370188309        9.8942432413        5.0732833853
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  C         2.5771480090        7.8577297289        4.6576679706
  C         1.6542186684        6.8807057695        5.0584846802
  C         1.2933376646        6.7379650891        6.4006426641
  C         1.8924532194        7.6014074778        7.3271234727
  C         2.8387165335        8.5514219666        6.9197378889
  C         1.5852564859        7.5061143543        8.7943083045
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  F         2.6880357574        7.1592632435        9.5353567007
  F         1.1749118643        8.7179832723        9.3118834045
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  F         0.1934419243        5.0737759066        4.3299215714
  F         0.6514656959        6.7255513046        2.9275954752
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  C         5.9118818208        9.1872422353        6.9325555707
  C         6.8595430919        9.3838392967        7.9380447650
  C         7.3123721821       10.6697862238        8.2495405285
  C         6.8147209563       11.7405362256        7.4912748141
  C         5.8488382944       11.5266502259        6.4959704019
  C         7.3328029343       13.1421876083        7.6993002458
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  F         6.3558273775       14.0816900267        7.4844341447
  F         8.3391006060       13.4809430755        6.8173706241
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  F         7.4256975836        7.0990607467        7.7768814889
  F         6.2866172283        7.7322011812        9.5345967565
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  C         2.6241576887       11.2828898871        3.5310215156
  C         1.6674680349       12.2676921618        3.2882026207
  C         1.2788294206       13.1699488678        4.2783372357
  C         1.8548334257       13.0298288543        5.5389728905
  C         2.7921988112       12.0178455911        5.7954003608
  C         1.1065480457       12.3799794771        1.9150925098
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  F         1.8936596329       13.1558739433        1.0971709460
  F        -0.1570930160       12.9030162735        1.9038485815
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  F         7.4987303558        5.8846375959        3.2979573049
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  F        11.2166364023        9.0174150763       20.2229400202
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  C        11.4332782339       11.0388511380       18.1971775698
  C        11.8867881671       12.0123489979       17.3076267012
  C        12.7679815750       11.6833128527       16.2686682507
  C        13.2463665398       10.3742276242       16.0789353038
  C        12.7713471918        9.4046769549       16.9874749521
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  C        15.7691566341       12.0519142183       15.2266038427
  C        16.7034478006       13.0199635693       14.8378817153
  C        17.0862889978       13.1519801732       13.4980694897
  C        16.5053153309       12.2888107654       12.5610942217
  C        15.5647313374       11.3319353510       12.9595801375
  C        16.8416483847       12.3980549766       11.0970085789
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  F        15.7543863993       12.8159869062       10.3460477125
  F        17.2355731706       11.1909942982       10.5616225968
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  F        18.1483013701       14.8385938313       15.4059375122
  F        17.8387506888       13.2541290938       16.9341963022
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  C        12.4471797664       10.6735937000       12.8468324946
  C        11.4638170757       10.4126476197       11.8827979775
  C        11.0359001762        9.1079301303       11.6362685268
  C        11.6025325119        8.0751019540       12.3846581868
  C        12.5854417276        8.3386296788       13.3449387568
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  F        11.9228243759        5.6912062034       12.4653435656
  F        10.0063925866        6.4975775663       13.1312912240
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  F        10.6235331467       12.6605979989       11.7447233739
  F        11.7670653321       11.8863015655       10.0455036503
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  C        15.8597150906        8.5679231787       16.2867542034
  C        16.8100990013        7.5575549857       16.4648391930
  C        17.1136104632        6.6654875769       15.4330128499
  C        16.4828260913        6.8319992457       14.2075807158
  C        15.5635590221        7.8678652467       14.0127571700
  C        17.4844822838        7.2665902008       17.7707271808
  F        17.6135906426        8.3288062544       18.6223284500
  F        16.7938783037        6.3143851421       18.4809984386
  F        18.7592792569        6.7893364602       17.5410678681
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  F        10.4809943540       13.7341320430       16.4316783743
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  F        17.3764149635        6.5266459379       12.0279064661
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  H        10.7353664897       11.2933722331       18.9901369153
  H        13.0846427764       12.4708352755       15.5866459505
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  F         3.3613660721       17.0876368217       18.6300443476
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  C         4.1843905509       19.0336801943       16.8423197718
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  C         3.4406015604       21.6644058382       17.2989071605
  C         2.9745450421       20.6798729999       18.1666997395
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  F         1.9926246816       23.2932711075       16.4315817051
  B         5.6124992531       19.6398926112       14.6707116717
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  C         7.2722390570       18.2840105019       16.2238529195
  C         8.2429087160       17.3092439322       16.4683271447
  C         8.6385769190       16.4154091719       15.4730598023
  C         8.0503698996       16.5432696396       14.2153647502
  C         7.0911715876       17.5330710364       13.9646063609
  C         8.4234705452       15.5967990410       13.1143690571
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  F         7.6876904684       24.3578173907       16.5045522783
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  F         3.4284987186       15.3141569641       12.3966520463
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  C        13.7398765918       -0.0698501137        3.8749840127
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  C        15.0055056351       -1.7036673942        2.5573367515
  C        15.4490920137       -0.7149654864        1.6784891224
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  F        14.4479765648       -4.0415302055        2.4967099103
  F        16.4090087727       -3.4510493562        3.3549955305
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  C        11.7347203194        1.4780846891        4.8520538597
  C        11.1244194032        1.5873692525        3.5869293108
  C        10.1457876890        2.5492277625        3.3215263868
  C         9.7293336497        3.4493023274        4.3067825777
  C        10.3120623086        3.3486600051        5.5672978856
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  C         9.9425462529        4.3093890540        6.6587124659
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  F         9.1298588130        5.3321393972        6.2358667708
  F         9.3039053924        3.6800192763        7.7003087052
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  F         8.4031508267        3.3402181921        1.9038364688
  F        10.4693545392        3.4744237832        1.1648430671
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  C        11.2612434073       -1.8520249042        4.5979202958
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  C         9.9454371745       -2.1882338974        8.6401946946
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  F         8.9071737059       -3.0504967219        8.8703511668
  F        11.0138332067       -2.6145705196        9.3932846468
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  F        10.7199931656       -4.4532202534        3.2281794318
  F         9.1416957078       -2.9678570115        2.8553007971
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  C        14.3458757335        1.9123372955        6.5794078398
  C        15.3242521494        2.1877022679        7.5450987010
  C        15.8625978097        1.1728980517        8.3325362582
  C        15.4107999309       -0.1328444240        8.1102779624
  C        14.4336522066       -0.4047040359        7.1489662275
  C        16.0235514566       -1.2300382155        8.9256531885
  F        16.0417824277       -0.8765503687       10.2642540394
  F        17.3294969844       -1.4917682672        8.5811991511
  F        15.3722424773       -2.4177901816        8.8051390765
  C        15.8735840727        3.5777299356        7.6377990274
  F        16.4738663099        3.8588429209        8.8297868751
  F        14.9143716273        4.5292910006        7.4109330499
  F        16.8269193809        3.7875530829        6.6685581036
  H        13.9628513313        1.9668243939        3.1708043604
  H        13.8789544890       -2.1789224189        4.3186256496
  H        16.0842629055       -0.9673296519        0.8339323320
  H        11.4196551042        0.9070992346        2.7891643443
  H         8.9887906409        4.2128844956        4.0913959094
  H        11.7121390961        2.3316007834        6.8383407769
  H        11.5984779950       -1.7933018263        3.5638565627
  H         9.0837079109       -3.6861536932        6.5007512976
  H        11.6772644091       -0.4552254902        7.6503061857
  H        13.9642211950        2.7372945102        5.9802757727
  H        16.6129520475        1.3900159106        9.0887558293
  H        14.1165536200       -1.4366617227        7.0073314601
  H        10.8050261005       11.7697425672        4.7663587260
  H        11.6149466682       10.0748337702        3.1420733221
     646
 i =       97, E =         0.0021120256
 Rh         3.6389650966        0.2373065168        4.8184203460
  P         5.3864492527        0.6383236953        6.2833762239
  C         5.2300054015       -0.2968891349        7.8724886131
  C         4.8284434139       -1.7698072222        7.6686773021
  C         4.5359438491       -2.4301814394        9.0263244032
  C         5.7215132990       -2.3039592525        9.9939322187
  C         6.1889483102       -0.8484299042       10.1412383437
  C         6.4658295670       -0.1890435343        8.7796335615
  C         5.6714512720        2.4051190207        6.8007205847
  C         4.6454290702        2.8169945665        7.8810479758
  C         4.6147349139        4.3281797146        8.1659583194
  C         4.5370033091        5.1579881012        6.8816419560
  C         5.7027077699        4.8012326573        5.9570640246
  C         5.6244015241        3.3219511908        5.5599416945
  C         6.9985295085        0.0915112111        5.5171518313
  C         6.9692817460        0.2289097564        3.9865105230
  P         5.3069993699       -0.2370588892        3.2891839233
  C         5.4557494057       -2.0248250770        2.7845117492
  C         4.3596936151       -2.4036585259        1.7686804345
  C         4.3775999545       -3.9021511101        1.4495231775
  C         4.2393946036       -4.7498904571        2.7159287811
  C         5.3667438737       -4.4266373427        3.7013490457
  C         5.4038532272       -2.9261960405        4.0399560414
  C         5.1397215804        0.7082714397        1.7062203455
  C         4.8647319943        2.2093871603        1.9216882396
  C         4.4321067334        2.8400211506        0.5872864785
  C         5.4898838568        2.6354448665       -0.5092151183
  C         5.9031261782        1.1605041979       -0.6502029002
  C         6.2908513015        0.5299999956        0.7009049742
  C         1.8790685327        0.3151479601        3.4696642158
  C         1.9058877143       -0.9374886014        4.0905657377
  C         1.0708744242       -0.8137929225        5.3785650669
  C         1.9370519287        0.1158032974        6.2550645364
  C         1.9083112866        1.3671651228        5.6402116520
  C         1.0251652585        1.2224673557        4.3838313058
  C        -0.0139597257        0.1891370579        4.8992790921
  H         4.3864942732        0.2065462238        8.3734583106
  H         5.6400748419       -2.3116422842        7.1605006500
  H         3.9496829016       -1.8342343911        7.0093032950
  H         4.2739500616       -3.4878033839        8.8805526643
  H         3.6495418096       -1.9508312702        9.4667473207
  H         5.4442726979       -2.7107998244       10.9773278137
  H         6.5570952977       -2.9191465352        9.6334909007
  H         7.0973060220       -0.7967608500       10.7596194854
  H         5.4115023493       -0.2687466193       10.6634089978
  H         6.7670958787        0.8568665651        8.9236182347
  H         7.3129902801       -0.6912403179        8.2948586922
  H         6.6846372159        2.4573092720        7.2313741899
  H         4.8640020605        2.2836702550        8.8161592641
  H         3.6419060067        2.4913496972        7.5734579622
  H         5.5180303854        4.6183621441        8.7213523357
  H         3.7623623777        4.5454055647        8.8258497676
  H         4.5353152097        6.2288995729        7.1270884522
  H         3.5887675398        4.9634608552        6.3586453935
  H         6.6530760317        4.9973511805        6.4725049210
  H         5.7049377338        5.4247348336        5.0539581068
  H         6.4409395439        3.0669874926        4.8685114173
  H         4.6857749251        3.1400829630        5.0111301352
  H         7.8362301451        0.6551786825        5.9524586582
  H         7.1390762543       -0.9598592860        5.8057143491
  H         7.7636893975       -0.3651905503        3.5121629317
  H         7.1344115879        1.2754220483        3.6936715076
  H         6.4383978782       -2.1447608660        2.2998018320
  H         4.4755692701       -1.8268655506        0.8413404878
  H         3.3715478685       -2.1384505723        2.1673718218
  H         5.3201840415       -4.1531535741        0.9418142124
  H         3.5690886368       -4.1278076139        0.7429961712
  H         4.2403827698       -5.8172252949        2.4554351912
  H         3.2638422560       -4.5564434422        3.1864839833
  H         5.2437864403       -4.9953643945        4.6353923752
  H         6.3306238341       -4.7350052339        3.2707739257
  H         6.2672061851       -2.7181004970        4.6880511991
  H         4.5078073186       -2.6604413632        4.6240897501
  H         4.2279220283        0.2739368165        1.2631628645
  H         5.7770994028        2.7053857308        2.2858221585
  H         4.0945407094        2.3563938914        2.6940931414
  H         4.2268286097        3.9111436588        0.7226029843
  H         3.4822149793        2.3806576051        0.2748133432
  H         6.3774088470        3.2418865057       -0.2767695820
  H         5.1058827291        3.0099696924       -1.4695407688
  H         6.7439849171        1.0692257402       -1.3535805554
  H         5.0671552503        0.5862488428       -1.0806321513
  H         7.1887617038        1.0248721477        1.0918459289
  H         6.5503747091       -0.5273748322        0.5629057274
  H         2.1156002352        0.5360962311        2.4330506788
  H         2.1749223852       -1.8889000342        3.6428810264
  H         0.7541221842       -1.7541665191        5.8359820049
  H         2.2264059419       -0.1053986673        7.2790752460
  H         2.1802520085        2.3215227152        6.0826064702
  H         0.6636013337        2.1534275691        3.9399627288
  H        -0.6359949849        0.5726309393        5.7144122038
  H        -0.6428442679       -0.2171600242        4.1002148683
 Rh        14.7184308568       19.6359844279       14.9740530613
  P        12.9514935263       19.2042943960       13.5265713108
  C        13.1241990377       20.1881351488       11.9630634984
  C        13.5036746538       21.6598722697       12.2117911566
  C        13.8473878614       22.3538962672       10.8834793696
  C        12.6914349964       22.2517918990        9.8786557096
  C        12.2584642175       20.7934112588        9.6694028640
  C        11.9332941454       20.0869165476       10.9983809273
  C        12.6557919094       17.4559952711       12.9518362578
  C        13.6662797577       17.0370158054       11.8623725378
  C        13.5964899035       15.5336058672       11.5519645455
  C        13.7859062736       14.7069798360       12.8264000560
  C        12.6820440612       15.0375563760       13.8351160111
  C        12.6850678273       16.5324855224       14.1902550403
  C        11.3299297588       19.6859410758       14.3336173573
  C        11.4109100142       19.6752271911       15.8720723035
  P        13.0889312233       20.1708147270       16.5156566903
  C        12.9312878147       21.9712826765       16.9595455658
  C        13.9864246150       22.4316025932       17.9886113758
  C        13.9980234938       23.9605613864       18.1685704357
  C        14.0835967620       24.7158732207       16.8380649691
  C        12.9441116028       24.2943442954       15.9086708310
  C        13.0209028316       22.7857579411       15.6514768326
  C        13.3282785507       19.2271895891       18.0930180507
  C        13.5926869207       17.7353765496       17.8068362714
  C        14.0371490013       17.0195200961       19.0902424292
  C        12.9931783180       17.1731197601       20.2071056189
  C        12.6223129494       18.6467025341       20.4493993466
  C        12.2251820570       19.3828751475       19.1529377952
  C        16.4431369770       19.6325899446       16.3553037854
  C        16.4632762775       20.8237781294       15.6234872122
  C        17.3245135751       20.5587714867       14.3728764379
  C        16.4492130073       19.5775019110       13.5619548927
  C        16.4245713241       18.3870793287       14.2901074817
  C        17.2864391450       18.6207694489       15.5486539970
  C        18.3690964860       19.5752182661       14.9706478054
  H        13.9945183916       19.7052340266       11.4868998578
  H        12.6630486374       22.1840617087       12.6903062026
  H        14.3511536640       21.7170494107       12.9121571286
  H        14.1072755662       23.4059510638       11.0661034687
  H        14.7472327586       21.8828331176       10.4602861558
  H        12.9856644822       22.7006498764        8.9182870527
  H        11.8359112213       22.8384771346       10.2420228609
  H        11.3804691242       20.7433927518        9.0085525642
  H        13.0707215319       20.2461637471        9.1654111451
  H        11.6633182282       19.0406088174       10.8073610227
  H        11.0526037873       20.5550150704       11.4566004146
  H        11.6450295089       17.4307217171       12.5123537955
  H        13.4814525489       17.6099563193       10.9435637317
  H        14.6889728341       17.2874038804       12.1806843277
  H        12.6211623680       15.2910520246       11.1048816673
  H        14.3565407147       15.2814992655       10.7987265423
  H        13.7960309434       13.6335270170       12.5916244683
  H        14.7694329280       14.9282808208       13.2684725749
  H        11.7080150733       14.7476982294       13.4172385186
  H        12.8108969316       14.4628252768       14.7621845461
  H        11.8297199036       16.7639681084       14.8434803593
  H        13.5893733218       16.7601706131       14.7771804174
  H        10.5384253014       19.0053876559       13.9868159039
  H        11.0657939857       20.6866989416       13.9646853518
  H        10.6353707828       20.3157888756       16.3162980027
  H        11.2392444604       18.6590219134       16.2539397249
  H        11.9279695802       22.1121584784       17.3930461542
  H        13.7959006073       21.9586611334       18.9625508549
  H        14.9869339051       22.0983310319       17.6798718668
  H        13.0843330193       24.2709812540       18.6951471961
  H        14.8408615744       24.2365047397       18.8165467830
  H        14.0616951764       25.7979141742       17.0241963595
  H        15.0482074682       24.5182243234       16.3475234064
  H        12.9889012558       24.8277747623       14.9491020674
  H        11.9754730904       24.5453921734       16.3636170469
  H        12.2351965333       22.4715017933       14.9508665842
  H        13.9790604223       22.5518186319       15.1591687704
  H        14.2568678958       19.6595487000       18.5031848787
  H        12.6717987821       17.2657185273       17.4290141142
  H        14.3484211909       17.6283586849       17.0129055508
  H        14.2188954526       15.9560656628       18.8774187464
  H        15.0008235286       17.4382943411       19.4175314358
  H        12.0901143209       16.6056095810       19.9386369542
  H        13.3704863436       16.7256966140       21.1381760642
  H        11.7938560366       18.7102779892       21.1706373272
  H        13.4795773178       19.1658124316       20.9068399338
  H        11.2847663157       18.9658106505       18.7685885546
  H        12.0341508056       20.4416367085       19.3688214172
  H        16.1898596429       19.5176897669       17.4055440890
  H        16.2088663396       21.8188388491       15.9799419822
  H        17.6809651510       21.4420804846       13.8380620013
  H        16.1850115724       19.7102893518       12.5169294974
  H        16.1234268731       17.4053619430       13.9346534685
  H        17.6055735492       17.7247538736       16.0860535663
  H        19.0025874106       19.1023734877       14.2120183844
  H        18.9881297215       20.0366747667       15.7489971730
 Rh         5.9685327092       10.0635022665       14.9861045436
  P         4.1661198428        9.5895191165       13.6103047174
  C         3.7760889737        7.8433445625       13.0918364315
  C         3.6924965127        6.9078686727       14.3183346801
  C         3.6607119208        5.4243567185       13.9135341402
  C         4.8628725701        5.0748603286       13.0336365715
  C         4.7941661372        5.8909084601       11.7427209592
  C         4.8105030909        7.3967875479       12.0393576640
  C         2.5880656722       10.2098015772       14.3794360861
  C         2.6583044334       10.1156117037       15.9088031213
  P         4.3422553840       10.6129126714       16.5287506751
  C         4.1448630609       12.3851536310       17.0441427787
  C         3.9963856140       13.2761709238       15.7909718520
  C         4.0759162533       14.7745963496       16.1172939610
  C         5.3771777701       15.0832236972       16.8614904434
  C         5.4131813433       14.3003309818       18.1753105347
  C         5.3299068701       12.7886498623       17.9448423145
  C         4.5832272590        9.6738057424       18.1018151158
  C         4.9400317258        8.1989190833       17.8351748105
  C         5.2269775991        7.4774762719       19.1590641648
  C         4.0264243857        7.5783877793       20.1109979318
  C         3.3934515444        9.8062769662       19.0653228745
  C         3.6568812751        9.0458011910       20.3751292759
  C         4.3683641182       10.5423080433       12.0365873138
  C         4.7038119546       12.0226515485       12.3027208429
  C         5.0012502824       12.7612103237       10.9874429256
  C         3.8626106040       12.6009559210        9.9690719287
  C         3.4998739124       11.1260909789        9.7459548402
  C         3.1862644631       10.4097478622       11.0692987351
  C         7.8120624844       11.1870854155       15.5479410657
  C         7.5843820309        8.6892242122       14.3523949020
  C         8.4864875449        8.9325614288       15.5802129854
  C         9.6180884465        9.7751166786       14.9297559411
  C         8.6296913004       10.7965111633       14.3001092359
  C         7.7318979566       10.0417624505       16.3459577981
  C         7.6725939330        9.8368050739       13.5583827310
  H         2.7817633647        7.8760966924       12.6164980193
  H         4.5596252574        7.0795582856       14.9744109733
  H         2.7985213033        7.1523072951       14.9119601056
  H         2.7376057968        5.2008567714       13.3617253127
  H         3.6355203734        4.8108834366       14.8212242316
  H         5.7962156476        5.2944529210       13.5741920669
  H         4.8916132919        4.0004190381       12.8058063442
  H         5.6289823932        5.6504420610       11.0703501373
  H         3.8735732173        5.6276179037       11.2025933795
  H         4.6257896870        7.9499074325       11.1126404597
  H         5.8208846807        7.6784359466       12.3692336386
  H         2.4717642946       11.2552924463       14.0621851227
  H         1.7260932855        9.6563338951       13.9804606560
  H         1.8846609501       10.7321763187       16.3881953363
  H         2.4979500848        9.0791264181       16.2363445246
  H         3.2135546362       12.4534326100       17.6290395449
  H         4.7938661882       13.0260235281       15.0745122877
  H         3.0430949245       13.0524722352       15.2912539615
  H         3.9963725686       15.3495991911       15.1833114456
  H         3.2191685074       15.0716815888       16.7391363196
  H         5.4804234985       16.1579161388       17.0612027646
  H         6.2380264540       14.8088482099       16.2327924405
  H         6.3231229808       14.5256280290       18.7449601106
  H         4.5642996627       14.6170331684       18.7974657760
  H         6.2726114099       12.4402748462       17.4989700287
  H         5.2440290867       12.2784714001       18.9145956584
  H         5.4644595091       10.1475313177       18.5647715510
  H         5.8048553548        8.1422682545       17.1561395631
  H         4.1076575309        7.6981501970       17.3199217004
  H         6.1088567537        7.9364050554       19.6298908296
  H         5.4893977653        6.4274745387       18.9666235064
  H         4.2401878781        7.0641206563       21.0577243507
  H         3.1670080718        7.0604187219       19.6608159336
  H         3.1811543545       10.8628681330       19.2739336844
  H         2.4957136171        9.3937248338       18.5875228718
  H         4.4800845766        9.5360781120       20.9189080502
  H         2.7672214672        9.1103704383       21.0183363948
  H         5.2534733901       10.0789188239       11.5701462799
  H         5.5623065758       12.0943652997       12.9908828709
  H         3.8556968021       12.5068853534       12.8093813772
  H         5.1752678695       13.8262837086       11.1958822928
  H         5.9384231478       12.3735359384       10.5633769507
  H         4.1440500815       13.0708192447        9.0152284709
  H         2.9738787196       13.1388563732       10.3259671357
  H         2.6333813425       11.0403828243        9.0743686941
  H         4.3412675628       10.6110284999        9.2549490959
  H         2.2882507912       10.8486909006       11.5250521028
  H         2.9541062829        9.3557462153       10.8804832660
  H         7.6231264893       12.2124055185       15.8499808859
  H         7.2215415551        7.7097884069       14.0544345846
  H         8.7588746036        8.0446801207       16.1567484350
  H        10.2972709137       10.2262177747       15.6635493278
  H        10.1881436876        9.2141448471       14.1834916319
  H         9.0358563984       11.6263587068       13.7146988718
  H         7.4935352580       10.0023945017       17.4036427251
  H         7.3958323068        9.9319953354       12.5123306705
 Rh        12.6617156875        9.7988873539        4.6971900690
  P        14.3025112768       10.0614782765        6.1670227090
  C        14.4376730541       11.8659470956        6.6647182328
  C        14.7261963487       12.8352825885        5.5006436443
  C        14.7678256278       14.3014718031        5.9793337702
  C        13.5042279976       14.7008050039        6.7488804252
  C        13.2967026776       13.7570815962        7.9355809683
  C        13.1889598614       12.3040008556        7.4517070420
  C        15.9694423778        9.6481657701        5.4393845337
  C        15.9668421201        9.8742552421        3.9166633159
  P        14.3110881306        9.4312013673        3.2052186979
  C        14.3803050334        7.6269201839        2.7121335045
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  H         8.5231330900        8.1865817741        5.5546550094
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  H        11.6129196008        7.3816797652        5.3661448101
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  F         7.3491939129       10.8243633200       -0.2346980727
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  C         7.0155872282        8.8502224732        1.6816417749
  C         6.4471256376        7.8477845036        2.4602814832
  C         5.5303212995        8.1581390128        3.4784320829
  C         5.1469669903        9.4818774048        3.7640829308
  C         5.7230474979       10.4803914636        2.9482961515
  B         4.2372587626        9.8946012325        5.0735054948
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  C         2.5779500994        7.8578342228        4.6577249324
  C         1.6545533384        6.8812132829        5.0598564922
  C         1.2925147957        6.7370754182        6.4006312861
  C         1.8930113865        7.6018756064        7.3248020112
  C         2.8380421338        8.5518445831        6.9192777482
  C         1.5837972154        7.5050441738        8.7987560701
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  F         2.6867687447        7.1598253282        9.5334598603
  F         1.1758736280        8.7166673516        9.3104911330
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  F         0.1938540289        5.0741620160        4.3299681606
  F         0.6516004154        6.7255692495        2.9278175716
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  C         5.9112229514        9.1866180481        6.9332397240
  C         6.8594412956        9.3841649430        7.9383776731
  C         7.3124352495       10.6693003827        8.2497538098
  C         6.8145729106       11.7409696721        7.4909407740
  C         5.8495926295       11.5256740723        6.4962658192
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  F         7.4256818718        7.0991748976        7.7768466745
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  C         1.8554113482       13.0294128134        5.5390806607
  C         2.7919738830       12.0190117473        5.7942825992
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  F         7.4986982761        5.8846415244        3.2979025962
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  F        11.2164543731        9.0175796085       20.2231536038
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  C        11.4335268127       11.0380986891       18.1977201005
  C        11.8870319329       12.0128818225       17.3074766842
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  C        13.2461009952       10.3752035798       16.0787141395
  C        12.7710274256        9.4036826229       16.9871368367
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  C        15.7688061872       12.0523086920       15.2261461415
  C        16.7033107113       13.0200997946       14.8378150393
  C        17.0862894224       13.1519479352       13.4979995068
  C        16.5053271349       12.2887294710       12.5613746886
  C        15.5648109444       11.3314518831       12.9594632075
  C        16.8419417165       12.3977868238       11.0972226251
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  F        15.7541568993       12.8161040800       10.3457256603
  F        17.2354959463       11.1911196358       10.5615314270
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  F        18.1483492320       14.8385592038       15.4059297871
  F        17.8387417889       13.2541889909       16.9341462001
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  C        12.4472365449       10.6739697957       12.8467813620
  C        11.4636142692       10.4131213018       11.8821301956
  C        11.0365843427        9.1081612456       11.6359267076
  C        11.6030888135        8.0753965254       12.3851999743
  C        12.5849512493        8.3387906176       13.3456163835
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  F        11.9230052712        5.6910930618       12.4654043937
  F        10.0061706897        6.4974785199       13.1315630299
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  F        10.6240949872       12.6602535762       11.7439040673
  F        11.7666767962       11.8876634654       10.0456305615
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  C        15.8592220438        8.5681477649       16.2867444407
  C        16.8100483595        7.5575226548       16.4646220722
  C        17.1137018840        6.6655688988       15.4326405404
  C        16.4837132713        6.8312456889       14.2079430347
  C        15.5635275842        7.8676149213       14.0132181823
  C        17.4843778633        7.2666063961       17.7710196743
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  F        16.7937079879        6.3142720988       18.4808856558
  F        18.7595227158        6.7891380123       17.5409977217
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  F        10.4810712627       13.7342906648       16.4317538037
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  F        17.3765157200        6.5266731800       12.0288166733
  F        15.6565435054        5.2697572406       12.6114628407
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  H        10.7361371150       11.2934869354       18.9905754184
  H        13.0851218025       12.4713513597       15.5866898928
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  H        17.8200862725        5.8582224563       15.5888569241
  H        15.1189904256        7.9862893329       13.0259458483
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  F         3.3587925214       17.0873510704       18.6322988135
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  C         4.6920515085       20.0188976955       15.9733209035
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  C         3.4401293361       21.6637010491       17.2996353437
  C         2.9741292353       20.6795181203       18.1661437490
  C         2.9238728015       23.0645805142       17.4348104913
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  F         3.9022695894       24.0241847801       17.3053490080
  F         1.9926073912       23.2935281385       16.4318283885
  B         5.6128209303       19.6397907318       14.6701551727
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  C         7.2719194634       18.2837585991       16.2239601357
  C         8.2429550257       17.3093178493       16.4687018233
  C         8.6391844692       16.4151910695       15.4727627261
  C         8.0500359649       16.5435459891       14.2153288691
  C         7.0910979881       17.5325485199       13.9652920864
  C         8.4235568135       15.5966900503       13.1144585141
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  F         9.2158408927       14.5689813839       13.5620669215
  F         9.1080817594       16.2276608674       12.1006666639
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  F        10.0141944264       16.5640762949       17.8928241693
  F         7.9539510982       16.3793504204       18.6302841137
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  C         7.2076621389       21.7043043341       15.2289978427
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  C         7.0839046153       21.0152903261       12.9479348585
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  F         9.3806296996       23.0322603757       10.9266569931
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  F         7.6876893497       24.3578576493       16.5045185738
  F         9.2705850727       22.8897127434       17.0027341682
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  C         4.0539191669       17.9796762400       13.2697224180
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  C         2.5621029880       18.7110597289       11.4942686001
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  C         3.9811835495       20.2953771541       12.6766015568
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  F         1.0903655706       21.3344238338       11.2599263861
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  F         3.4285563279       15.3140490605       12.3965579840
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  H         4.3010582913       21.3269040566       12.8124854540
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  F        15.0494537290        2.8841740351        1.1012360379
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  C        14.2341842929        0.9252790004        3.0025673079
  C        13.7395118892       -0.0697829733        3.8743309270
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  C        15.0055639550       -1.7036567862        2.5572856986
  C        15.4497557474       -0.7146575928        1.6789446889
  C        15.4679548721       -3.1192756140        2.3841098437
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  F        14.4479711393       -4.0416518593        2.4967684646
  F        16.4091443730       -3.4512888434        3.3551312027
  B        12.7922878453        0.2696582061        5.1661094592
  C        11.7347659737        1.4785420203        4.8518834227
  C        11.1245612896        1.5880209798        3.5869479127
  C        10.1456953643        2.5496812455        3.3211503611
  C         9.7296060843        3.4495544778        4.3070098530
  C        10.3123308056        3.3488960829        5.5670117884
  C        11.2877148796        2.3769072778        5.8360374431
  C         9.9438843130        4.3097974840        6.6590778774
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  F         9.1302740511        5.3322239358        6.2360540146
  F         9.3042408878        3.6801447032        7.7002522885
  C         9.6237092568        2.7173717783        1.9293656987
  F         9.4969963214        1.5331346014        1.2493309804
  F         8.4034714161        3.3405513320        1.9039782167
  F        10.4693290710        3.4744883045        1.1648637191
  C        11.7957468023       -0.9709744293        5.5565484005
  C        11.2602081612       -1.8513200094        4.5974922743
  C        10.2966989972       -2.8107930664        4.9288744524
  C         9.8223126934       -2.9358386483        6.2373903402
  C        10.3422738467       -2.0721973779        7.2000678794
  C        11.3041229415       -1.1122069057        6.8656312033
  C         9.9455135778       -2.1881716935        8.6401849054
  F         9.5856836716       -0.9741858132        9.1688715753
  F         8.9071416049       -3.0504537838        8.8704971270
  F        11.0137595142       -2.6146040693        9.3933001076
  C         9.7531005114       -3.6991634970        3.8502911739
  F         8.8178583591       -4.5676190521        4.3254970244
  F        10.7200051856       -4.4532232971        3.2281989356
  F         9.1415933151       -2.9678261858        2.8552683984
  C        13.8546943532        0.6141695067        6.3637268505
  C        14.3455015141        1.9113566031        6.5790251510
  C        15.3240359064        2.1872308347        7.5439099794
  C        15.8624962736        1.1723951708        8.3312131460
  C        15.4114135634       -0.1320915969        8.1104943498
  C        14.4327413872       -0.4056339835        7.1484431241
  C        16.0234084185       -1.2300259778        8.9254574063
  F        16.0416937993       -0.8765365615       10.2641793198
  F        17.3295328738       -1.4918302952        8.5812489217
  F        15.3722343253       -2.4179048789        8.8052284256
  C        15.8732995366        3.5776634372        7.6351293967
  F        16.4751603635        3.8589442932        8.8234501776
  F        14.9139834426        4.5292278580        7.4104631240
  F        16.8270650527        3.7873482504        6.6670475577
  H        13.9618723808        1.9668365176        3.1699836574
  H        13.8776305416       -2.1789510473        4.3175592389
  H        16.0858498095       -0.9671387122        0.8350149682
  H        11.4199603016        0.9077713202        2.7885667587
  H         8.9886562849        4.2134770139        4.0912787526
  H        11.7120512948        2.3318271577        6.8377925173
  H        11.5968419633       -1.7918150588        3.5633536571
  H         9.0839625509       -3.6864489929        6.5008585913
  H        11.6770910289       -0.4549291171        7.6501484031
  H        13.9637261395        2.7374672243        5.9798140874
  H        16.6140804595        1.3899628063        9.0873771139
  H        14.1159707146       -1.4362236836        7.0076110523
  H        10.8051397421       11.7697291552        4.7645778267
  H        11.6140432484       10.0739513155        3.1411860770
     646
 i =       98, E =         0.0000247480
 Rh         3.6390438885        0.2373144615        4.8183622588
  P         5.3864820461        0.6383264745        6.2834269136
  C         5.2299931956       -0.2970104656        7.8724877538
  C         4.8285499227       -1.7699392839        7.6686165263
  C         4.5359210232       -2.4302906949        9.0262594144
  C         5.7214990417       -2.3041488196        9.9938837622
  C         6.1889073445       -0.8486141732       10.1412388966
  C         6.4657618791       -0.1891182352        8.7796757107
  C         5.6714166004        2.4051372829        6.8007931429
  C         4.6453265056        2.8170411530        7.8810498652
  C         4.6148881428        4.3282105765        8.1659766222
  C         4.5370938571        5.1581310070        6.8817390147
  C         5.7026050300        4.8012409862        5.9569684637
  C         5.6244975397        3.3219351546        5.5599792280
  C         6.9985493680        0.0915283840        5.5172053478
  C         6.9693599962        0.2289140361        3.9865458514
  P         5.3070326153       -0.2370605119        3.2892573344
  C         5.4559391401       -2.0248188462        2.7845967074
  C         4.3599353921       -2.4035975580        1.7686204410
  C         4.3776853748       -3.9021826661        1.4496074035
  C         4.2394403724       -4.7498051907        2.7160974573
  C         5.3669298093       -4.4266009418        3.7013748419
  C         5.4039173679       -2.9261687631        4.0400295482
  C         5.1395443247        0.7082218484        1.7062528452
  C         4.8645159751        2.2093111039        1.9217309920
  C         4.4320837342        2.8400475182        0.5872843527
  C         5.4900118923        2.6354931560       -0.5090550513
  C         5.9030318730        1.1605294919       -0.6501787760
  C         6.2906349363        0.5298315122        0.7008936049
  C         1.8790803965        0.3148400134        3.4701117267
  C         1.9059021305       -0.9369781014        4.0905533162
  C         1.0709276971       -0.8136927460        5.3785967658
  C         1.9372705467        0.1154864530        6.2556978086
  C         1.9084512344        1.3679188740        5.6400288035
  C         1.0252929658        1.2225384531        4.3837702226
  C        -0.0139010304        0.1892263300        4.8991998392
  H         4.3864122057        0.2063553647        8.3734246525
  H         5.6402949803       -2.3117489094        7.1605882860
  H         3.9498748013       -1.8344787769        7.0091151829
  H         4.2738405700       -3.4878992741        8.8805020367
  H         3.6495617151       -1.9508565977        9.4666517886
  H         5.4442670295       -2.7110296485       10.9772439082
  H         6.5570671408       -2.9193112420        9.6333902612
  H         7.0972827653       -0.7969560517       10.7596183523
  H         5.4114571711       -0.2689794197       10.6634599927
  H         6.7669642484        0.8567824888        8.9237248113
  H         7.3129703468       -0.6912552378        8.2948851196
  H         6.6845727899        2.4573366016        7.2315626114
  H         4.8636357023        2.2836144984        8.8160948150
  H         3.6417701724        2.4916273838        7.5732342954
  H         5.5182996862        4.6182459756        8.7212801548
  H         3.7626235355        4.5455613915        8.8260207970
  H         4.5355178929        6.2289307482        7.1271756683
  H         3.5887121722        4.9636556599        6.3588500007
  H         6.6530718069        4.9976218316        6.4721341297
  H         5.7045309507        5.4246403993        5.0537264715
  H         6.4411101434        3.0670071566        4.8686869671
  H         4.6859195389        3.1399376435        5.0110493013
  H         7.8362753287        0.6551734512        5.9525337531
  H         7.1390776337       -0.9598500814        5.8057676809
  H         7.7637123135       -0.3652554022        3.5122563594
  H         7.1345591354        1.2754052514        3.6936955976
  H         6.4386086825       -2.1447129234        2.3000035991
  H         4.4761620268       -1.8270022112        0.8412451134
  H         3.3718078908       -2.1381437478        2.1670727436
  H         5.3201256885       -4.1533133812        0.9418477279
  H         3.5690267316       -4.1277507254        0.7431791873
  H         4.2403991701       -5.8171927593        2.4555971775
  H         3.2639739270       -4.5563444317        3.1866936055
  H         5.2440483066       -4.9953748797        4.6354523554
  H         6.3307371895       -4.7348982328        3.2707395646
  H         6.2672896354       -2.7180473332        4.6881916993
  H         4.5078800818       -2.6604494864        4.6241328028
  H         4.2277419569        0.2738206266        1.2633290055
  H         5.7767895424        2.7053323680        2.2860565481
  H         4.0941784770        2.3562470075        2.6939929684
  H         4.2268480309        3.9111719061        0.7226741136
  H         3.4822220418        2.3807672744        0.2746599535
  H         6.3775581143        3.2417864967       -0.2764297097
  H         5.1061786849        3.0101971147       -1.4694221726
  H         6.7439338540        1.0691732656       -1.3535053601
  H         5.0670171553        0.5864269889       -1.0807012644
  H         7.1886526580        1.0244787767        1.0918651503
  H         6.5498987196       -0.5275676552        0.5628088829
  H         2.1156849450        0.5361212331        2.4328417143
  H         2.1749800610       -1.8890113080        3.6429262711
  H         0.7541965143       -1.7539611566        5.8361506420
  H         2.2264840924       -0.1051200342        7.2788112972
  H         2.1804168634        2.3215079536        6.0824240625
  H         0.6637309982        2.1535234318        3.9399405374
  H        -0.6359195104        0.5728373672        5.7144718111
  H        -0.6427261389       -0.2170254930        4.1003285749
 Rh        14.7183968949       19.6359685547       14.9740334716
  P        12.9515665332       19.2043277548       13.5265966386
  C        13.1243052330       20.1881412223       11.9630403555
  C        13.5036997327       21.6599144265       12.2118352501
  C        13.8474139217       22.3539619439       10.8834861209
  C        12.6914089251       22.2518901677        9.8786836985
  C        12.2583991713       20.7934660196        9.6694475266
  C        11.9333175580       20.0869930626       10.9984630749
  C        12.6558820583       17.4559733886       12.9519735683
  C        13.6664470662       17.0370071403       11.8625702065
  C        13.5965778272       15.5336295742       11.5520238943
  C        13.7858977237       14.7068841676       12.8264343621
  C        12.6820123409       15.0375323012       13.8351150594
  C        12.6852768616       16.5324404390       14.1903970128
  C        11.3300087052       19.6861615627       14.3334869053
  C        11.4108546131       19.6751574210       15.8719487636
  P        13.0888477217       20.1707785503       16.5155945850
  C        12.9310929425       21.9712279318       16.9595357413
  C        13.9864295356       22.4314129358       17.9884448895
  C        13.9978992606       23.9603342025       18.1686740814
  C        14.0836917365       24.7157120119       16.8382030805
  C        12.9441328934       24.2944142012       15.9087631631
  C        13.0205583193       22.7858146725       15.6514913677
  C        13.3282949068       19.2272065623       18.0929559402
  C        13.5928009212       17.7353940847       17.8068276696
  C        14.0371117948       17.0195518960       19.0903204394
  C        12.9929985834       17.1731807834       20.2070531656
  C        12.6223446797       18.6468305917       20.4493565963
  C        12.2251945594       19.3829206487       19.1528610598
  C        16.4431868077       19.6321489781       16.3556995826
  C        16.4632797870       20.8243078538       15.6234258539
  C        17.3244313969       20.5586161081       14.3729137366
  C        16.4491436231       19.5775032095       13.5620130251
  C        16.4245485126       18.3871879564       14.2900496056
  C        17.2864292356       18.6208232778       15.5484531955
  C        18.3691057106       19.5751735900       14.9704759109
  H        13.9945974106       19.7052919692       11.4868623849
  H        12.6630538406       22.1840453809       12.6902989350
  H        14.3511646230       21.7171389370       12.9121793714
  H        14.1072331857       23.4060219243       11.0661454770
  H        14.7472432741       21.8829469836       10.4602893960
  H        12.9856414396       22.7006825216        8.9183270680
  H        11.8359350034       22.8385717678       10.2420646071
  H        11.3803222280       20.7435261558        9.0087073904
  H        13.0705652134       20.2462366969        9.1653629949
  H        11.6633234400       19.0406408132       10.8074182668
  H        11.0526963587       20.5550507020       11.4567425601
  H        11.6451437437       17.4306294099       12.5125277783
  H        13.4816412168       17.6100173557       10.9437457909
  H        14.6890855586       17.2873685743       12.1809152845
  H        12.6213322474       15.2911502623       11.1048352868
  H        14.3567384612       15.2815505705       10.7988560513
  H        13.7958042198       13.6334317518       12.5915221378
  H        14.7694037604       14.9279468244       13.2685188118
  H        11.7079855915       14.7478367670       13.4172462812
  H        12.8108098871       14.4626882595       14.7621812154
  H        11.8299701586       16.7639413766       14.8437281392
  H        13.5896129920       16.7600140837       14.7772313333
  H        10.5383513461       19.0058802295       13.9864578094
  H        11.0661988382       20.6870513285       13.9647246252
  H        10.6352758951       20.3156101669       16.3162217393
  H        11.2392235273       18.6588811884       16.2536244810
  H        11.9278714712       22.1120316639       17.3931912440
  H        13.7961159216       21.9582622915       18.9623564509
  H        14.9868593075       22.0982826248       17.6794543010
  H        13.0841785097       24.2706398348       18.6951571666
  H        14.8406904669       24.2362146266       18.8167759013
  H        14.0618864539       25.7977652825       17.0244167660
  H        15.0482619652       24.5179804036       16.3477499205
  H        12.9892098568       24.8278192384       14.9491425732
  H        11.9755616183       24.5457573118       16.3635596333
  H        12.2345099852       22.4718087613       14.9511099809
  H        13.9784629780       22.5516605644       15.1588826236
  H        14.2568656898       19.6596278075       18.5030618039
  H        12.6720088748       17.2656772177       17.4288617956
  H        14.3486748817       17.6284107221       17.0130345646
  H        14.2188452733       15.9560841027       18.8775165061
  H        15.0007377445       17.4382948512       19.4177198564
  H        12.0898984695       16.6058450919       19.9384248904
  H        13.3701283676       16.7256565886       21.1381419628
  H        11.7939259640       18.7105287975       21.1706364805
  H        13.4796808892       19.1658388033       20.9066976425
  H        11.2847912619       18.9658462516       18.7685404197
  H        12.0341749254       20.4417115649       19.3686852262
  H        16.1900194914       19.5175839969       17.4053747838
  H        16.2089835169       21.8185692498       15.9800026282
  H        17.6809022635       21.4421858385       13.8380339475
  H        16.1848354677       19.7103873659       12.5169058720
  H        16.1233171260       17.4053477212       13.9345726676
  H        17.6056473745       17.7246291856       16.0859285399
  H        19.0025168749       19.1023948026       14.2118497473
  H        18.9881707039       20.0366219877       15.7488610438
 Rh         5.9685590888       10.0634894294       14.9861487383
  P         4.1660491975        9.5896135826       13.6101569755
  C         3.7763273858        7.8433640120       13.0917961550
  C         3.6927115246        6.9080137632       14.3183147788
  C         3.6609174242        5.4244855895       13.9136824803
  C         4.8628321004        5.0747626443       13.0336271438
  C         4.7943327104        5.8909116825       11.7427833677
  C         4.8107698258        7.3968044189       12.0393660783
  C         2.5879968553       10.2097596627       14.3793683614
  C         2.6582226430       10.1155491556       15.9087607367
  P         4.3421391898       10.6128632508       16.5288257562
  C         4.1449312458       12.3851313519       17.0440935406
  C         3.9964644558       13.2761093976       15.7909196301
  C         4.0759773253       14.7745618632       16.1171431355
  C         5.3771024393       15.0833420390       16.8615270694
  C         5.4131949679       14.3003412781       18.1752909864
  C         5.3299767339       12.7886541935       17.9447809770
  C         4.5830782753        9.6737201611       18.1018839576
  C         4.9398017570        8.1988416485       17.8352603750
  C         5.2267992155        7.4773463895       19.1590888799
  C         4.0263775081        7.5783239772       20.1111365158
  C         3.3934193864        9.8062696148       19.0655342455
  C         3.6568826453        9.0457035485       20.3752705700
  C         4.3682809469       10.5424072078       12.0364514228
  C         4.7038554449       12.0227222454       12.3025614509
  C         5.0013976371       12.7612369094       10.9872806522
  C         3.8627168706       12.6011468918        9.9689508773
  C         3.4997989844       11.1263222140        9.7457699905
  C         3.1861744255       10.4099138747       11.0691238115
  C         7.8118310900       11.1854755321       15.5484004222
  C         7.5843618360        8.6898716176       14.3522099002
  C         8.4863798882        8.9322980023       15.5805332129
  C         9.6178923019        9.7752582131       14.9299270367
  C         8.6295855950       10.7969243811       14.2999906880
  C         7.7318241421       10.0426969219       16.3447077994
  C         7.6724763208        9.8363781487       13.5589725249
  H         2.7819744084        7.8759327086       12.6163267588
  H         4.5600594784        7.0797214871       14.9742835175
  H         2.7989424117        7.1525451051       14.9120749607
  H         2.7376329027        5.2010354922       13.3619158493
  H         3.6356827602        4.8110744694       14.8213527016
  H         5.7963332957        5.2941975210       13.5741818524
  H         4.8914126372        4.0003898662       12.8057894234
  H         5.6290515400        5.6503197824       11.0703773497
  H         3.8736288749        5.6277660752       11.2026306551
  H         4.6263591367        7.9499429578       11.1127526289
  H         5.8212116739        7.6782672252       12.3695174963
  H         2.4716270317       11.2552511153       14.0621395176
  H         1.7260477079        9.6562557567       13.9804014126
  H         1.8845406303       10.7320646750       16.3881347615
  H         2.4979105300        9.0790623671       16.2362710896
  H         3.2136007525       12.4535365531       17.6290516712
  H         4.7941093607       13.0259433080       15.0745372541
  H         3.0433150677       13.0523766057       15.2910917040
  H         3.9964974494       15.3495006173       15.1831826746
  H         3.2191296013       15.0716267111       16.7389277094
  H         5.4802095583       16.1579677067       17.0612764010
  H         6.2380891838       14.8090743778       16.2328392756
  H         6.3230431235       14.5256875748       18.7449506351
  H         4.5642179888       14.6169556985       18.7974455035
  H         6.2727011863       12.4404121059       17.4987321278
  H         5.2442960636       12.2784276886       18.9144581913
  H         5.4643849671       10.1474305824       18.5648165664
  H         5.8045893637        8.1421476995       17.1561485879
  H         4.1073705392        7.6981109751       17.3200383632
  H         6.1087782853        7.9361816079       19.6298514811
  H         5.4891391309        6.4273189758       18.9665890548
  H         4.2402535416        7.0640565396       21.0578868177
  H         3.1668894965        7.0603036653       19.6611043555
  H         3.1812301745       10.8628720329       19.2742169224
  H         2.4955703874        9.3938262663       18.5877913227
  H         4.4801208588        9.5359623886       20.9190715618
  H         2.7672418170        9.1103030297       21.0185586921
  H         5.2533622008       10.0789831393       11.5699793390
  H         5.5622433858       12.0944086253       12.9907909906
  H         3.8556698433       12.5070666836       12.8091245653
  H         5.1757077640       13.8262155743       11.1956555351
  H         5.9384902254       12.3732553842       10.5631771437
  H         4.1441133182       13.0710369936        9.0151263441
  H         2.9740434362       13.1391274928       10.3259603773
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 Rh        12.6616885806        9.7989618692        4.6971963414
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  C        14.4436229223        5.2144192337        3.5762464026
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  H        16.7840197399        9.3322908520        3.4208096101
  H        16.0999382063       10.9409896068        3.6910528210
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  H        14.5579626549        4.6143258016        4.4912705130
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  H        13.1559853155       12.0129916067        2.6064890346
  H        14.8592714991       12.2777602508        2.2475248972
  H        12.5713514398       12.2094717624        0.2076622413
  H        13.4764532956       13.6350282620        0.7125573799
  H        14.2641092391       12.7404437103       -1.5081487680
  H        15.5494469165       12.7540762940       -0.3080961660
  H        15.3186976446        8.9879102410        0.3728082165
  H        16.1636377419       10.4400245642        0.8964667992
  H        13.8995185480       10.3144604007       -1.1702892912
  H        15.6092040167       10.5988909176       -1.5186823864
  H        13.2885995672        9.7014513156        8.2464390234
  H        12.9194983441        7.5921915971        6.9661898678
  H        14.6015107956        7.1349900506        7.2289228181
  H        13.0800395126        6.0984969809        8.9578061539
  H        12.5376302983        7.7041023536        9.4319050105
  H        14.3015701521        6.9087337512       11.0050208473
  H        15.4105477936        6.6468666627        9.6661185742
  H        15.9581008274        8.8091052055       10.7336955637
  H        14.2755449731        9.3394697146       10.5978505735
  H        16.2298507003        8.8600757431        8.2818790637
  H        15.6242456295       10.4112893602        8.8483499097
  H        10.0588606799       10.1114139178        2.4673426049
  H        11.2053036402        9.3350931791        7.1897066330
  H         9.0948123526       10.6333118677        6.4759702350
  H         8.0428082648        9.3844434461        4.3128881608
  H         8.5232637884        8.1867155956        5.5550715976
  H        10.0006908327        7.7871732381        3.3537981941
  H         9.1698870477       11.5939455244        4.1145243815
  H        11.6130109900        7.3819039427        5.3666652035
  F         8.5033654661       11.5987248393        1.4657398784
  C         7.2287731549       11.2412748665        1.0663849432
  F         6.4849800418       12.3774263194        1.0307744313
  F         7.3491837897       10.8243308985       -0.2347613769
  C         6.6300232173       10.1719410118        1.9291707383
  C         7.0152525041        8.8504898918        1.6816431306
  C         6.4471184504        7.8476881579        2.4602845510
  C         5.5304715464        8.1580734856        3.4785267620
  C         5.1469465276        9.4818269630        3.7643181384
  C         5.7232180956       10.4806516808        2.9482369132
  B         4.2371890121        9.8945883869        5.0735116355
  C         3.2188774137        8.7067541356        5.5726376626
  C         2.5777453003        7.8575523840        4.6578961939
  C         1.6543941880        6.8807407683        5.0589292821
  C         1.2930980615        6.7377281248        6.4005597177
  C         1.8922645504        7.6014509436        7.3264541433
  C         2.8380673200        8.5521207126        6.9195250519
  C         1.5850331359        7.5059670808        8.7955360039
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  F         2.6876046382        7.1592815485        9.5346990885
  F         1.1751536161        8.7176107002        9.3115867253
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  F         2.1802648677        5.2397210790        3.4411910756
  F         0.1935043365        5.0738549154        4.3299599886
  F         0.6514867696        6.7256001046        2.9276027381
  C         5.3472603583       10.2439155852        6.2126967198
  C         5.9111481355        9.1874303011        6.9333158145
  C         6.8592690460        9.3837124789        7.9383383780
  C         7.3124152662       10.6698743237        8.2496435480
  C         6.8150075314       11.7406285270        7.4914297932
  C         5.8493592892       11.5266296169        6.4957317524
  C         7.3330287603       13.1425144139        7.6992023910
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  F         6.3554274309       14.0815119250        7.4845737817
  F         8.3393250313       13.4806796728        6.8171971240
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  F         7.4256805067        7.0991583143        7.7768543667
  F         6.2865898262        7.7322773735        9.5346090169
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  C         2.6247843837       11.2828794888        3.5308660648
  C         1.6671931656       12.2681692818        3.2885376349
  C         1.2786505240       13.1693046537        4.2783754779
  C         1.8544484943       13.0303688570        5.5384851699
  C         2.7929948492       12.0183092048        5.7949575486
  C         1.1066439917       12.3799223903        1.9152366154
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  F         1.8934642523       13.1557267305        1.0971122814
  F        -0.1570129301       12.9029091904        1.9035241507
  C         6.8219646588        6.4132491668        2.2177958088
  F         7.6156281217        6.2388784724        1.1138123167
  F         7.4987225316        5.8846173330        3.2979265994
  F         5.7123934613        5.6254385706        2.0530674166
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  F         0.8947356810       13.3790222839        7.6963302363
  F         2.6779869434       14.5682404228        7.1195341531
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  H         7.7312055747        8.6097832592        0.9009305533
  H         5.1101291045        7.3406484675        4.0632885887
  H         5.4582098226       11.5240059381        3.1138824161
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  H         3.2983806606        9.1808226146        7.6801233519
  H         5.5961753581        8.1698838220        6.7097030725
  H         8.0427200626       10.8347647340        9.0350736843
  H         5.4704668402       12.3858202296        5.9455524368
  H         2.9018312516       10.6097673636        2.7222400498
  H         0.5601198451       13.9567045868        4.0702957469
  H         3.1986179368       11.9289601828        6.8019857199
  F         9.9830059204        8.3888844947       18.4855372118
  C        11.2759328371        8.6563767005       18.8869429745
  F        11.9351458148        7.4694980099       18.8445338610
  F        11.2165022262        9.0175129306       20.2230772089
  C        11.8830992394        9.7250435312       18.0218584683
  C        11.4335507245       11.0391266113       18.1974844746
  C        11.8868489555       12.0122071540       17.3079912275
  C        12.7680713288       11.6835265080       16.2688841944
  C        13.2461749911       10.3740090987       16.0789424012
  C        12.7707160921        9.4047137869       16.9870459398
  B        14.1575102529        9.9816882612       14.7699944824
  C        15.1620246948       11.1870387881       14.3005013398
  C        15.7686872137       12.0524077255       15.2264311403
  C        16.7033247070       13.0201674199       14.8377389444
  C        17.0863055874       13.1519914034       13.4980868382
  C        16.5052765234       12.2886123134       12.5612825550
  C        15.5649580196       11.3315705949       12.9596504498
  C        16.8418938175       12.3979152616       11.0971394958
  F        17.8573843132       13.2701983778       10.8525449152
  F        15.7542394940       12.8160499208       10.3458459890
  F        17.2355200951       11.1910580932       10.5615540883
  C        17.2393007982       13.9421102238       15.8971094679
  F        16.2461869015       14.6725249582       16.4975737993
  F        18.1483184272       14.8385446673       15.4059266128
  F        17.8387292595       13.2541748802       16.9341368747
  C        13.0521022615        9.6437563224       13.5966482276
  C        12.4470598064       10.6736661548       12.8466397306
  C        11.4639388316       10.4129531625       11.8824527647
  C        11.0365591401        9.1080531351       11.6357406295
  C        11.6028258103        8.0753521738       12.3849767282
  C        12.5848622147        8.3386923117       13.3457701693
  C        11.0274723541        6.6990932837       12.2312659236
  F        10.4971425806        6.4947714103       10.9941147219
  F        11.9229323085        5.6911195931       12.4653563728
  F        10.0062367275        6.4974960070       13.1314536855
  C        10.9009882562       11.5266458833       11.0449215200
  F         9.7392788892       11.1776473192       10.4116866653
  F        10.6240060763       12.6602832995       11.7440922524
  F        11.7666923496       11.8873126256       10.0457522566
  C        15.1949589600        8.7430771777       15.0506840625
  C        15.8593714906        8.5679511488       16.2868360635
  C        16.8098925508        7.5576951489       16.4646008615
  C        17.1139601015        6.6655373951       15.4330568294
  C        16.4832609236        6.8314948128       14.2073936729
  C        15.5634390161        7.8676216951       14.0132209765
  C        17.4844051772        7.2666008228       17.7709412731
  F        17.6135598761        8.3289819670       18.6224044860
  F        16.7937268845        6.3142985457       18.4809320140
  F        18.7594481067        6.7891913603       17.5410221495
  C        11.3915216790       13.4254801136       17.4297139323
  F        10.7858537862       13.6682713734       18.6257597405
  F        10.4810462998       13.7342398944       16.4317438749
  F        12.4021476880       14.3401807545       17.3058200444
  F        17.6306102966        4.8719529542       13.4876468252
  F        17.3766307401        6.5267226904       12.0284404915
  F        15.6567000840        5.2693166444       12.6114267676
  C        16.7879438831        5.8811033434       13.0910379500
  H        10.7362344999       11.2934698997       18.9907090533
  H        13.0850605974       12.4710297430       15.5870207386
  H        13.0870748514        8.3691273151       16.8745571698
  H        15.5041547814       11.9778230441       16.2801726224
  H        17.7981025468       13.9131527735       13.1935496341
  H        15.1308144835       10.6842702626       12.1991529492
  H        12.7468611998       11.7075540050       13.0178128999
  H        10.2643077100        8.9015297239       10.9011838720
  H        12.9901020523        7.5045334772       13.9154705493
  H        15.6337885297        9.2326649596       17.1201545631
  H        17.8201573543        5.8582995727       15.5888192626
  H        15.1189918870        7.9861987017       13.0261667100
  F         2.7318190106       18.6329034542       20.1005787391
  C         2.7330362544       18.2915592210       18.7691278505
  F         1.4092378449       18.0793998454       18.4737649736
  F         3.3593784994       17.0874098471       18.6317131801
  C         3.3446112296       19.3560789422       17.9127876310
  C         4.1842868656       19.0331701888       16.8422121293
  C         4.6924516224       20.0190276082       15.9727591803
  C         4.2717549539       21.3375694909       16.2201075905
  C         3.4403775912       21.6640919165       17.2991221337
  C         2.9737847316       20.6794492196       18.1664270336
  C         2.9238309667       23.0645520026       17.4349493429
  F         2.2999061702       23.2921896013       18.6242579610
  F         3.9023220756       24.0241240202       17.3052413879
  F         1.9926224511       23.2934739457       16.4317744849
  B         5.6127030837       19.6397898968       14.6703119300
  C         6.6547743679       18.4167917546       14.9678134715
  C         7.2718408105       18.2837146535       16.2239750155
  C         8.2430306738       17.3090658466       16.4683218198
  C         8.6388610539       16.4157268470       15.4728758428
  C         8.0504084512       16.5431713349       14.2155321149
  C         7.0906386226       17.5327116313       13.9648348853
  C         8.4234754932       15.5967494061       13.1143782553
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  F         9.2158089653       14.5690004801       13.5620906737
  F         9.1081227977       16.2276668828       12.1007045065
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  F         8.9100980764       18.3673825493       18.4839548753
  F        10.0142075328       16.5640484632       17.8927803559
  F         7.9539297560       16.3793686696       18.6302589739
  C         6.6299513399       20.8551143506       14.2667646703
  C         7.2078927917       21.7044464923       15.2290646492
  C         8.1644786945       22.6674197934       14.8889573390
  C         8.5966446520       22.8171195709       13.5677441273
  C         8.0410962193       21.9750875566       12.6043044272
  C         7.0842305684       21.0155772436       12.9478015942
  C         8.4046894130       22.1125395412       11.1579993347
  F         8.8236090205       20.9056466376       10.6311093387
  F         9.3806080996       23.0322507486       10.9267288175
  F         7.3249438761       22.5146914878       10.4082981326
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  F         9.6018227576       24.4691584634       15.4764770898
  F         7.6876901123       24.3578481343       16.5045142107
  F         9.2705586847       22.8897214072       17.0027171540
  C         4.5437957294       19.2826498651       13.4792945273
  C         4.0536398792       17.9795989799       13.2694599614
  C         3.0847468811       17.6953064021       12.2960031912
  C         2.5621368046       18.7108558999       11.4944364522
  C         3.0198618421       20.0178266556       11.7012848067
  C         3.9810770965       20.2953702728       12.6765451385
  C         2.3996402284       21.1145463921       10.8858183646
  F         2.3720252396       20.7826631271        9.5413583374
  F         1.0903562895       21.3344372473       11.2600420799
  F         3.0364403471       22.3171887995       10.9978476336
  C         2.5091753567       16.3090212141       12.1876266199
  F         1.9324172495       16.0520294255       10.9844891318
  F         3.4285073556       15.3141363566       12.3965642380
  F         1.5225246441       16.1211264970       13.1305362127
  H         4.4402034219       17.9887009518       16.6740073405
  H         4.5932215863       22.1348818188       15.5509799155
  H         2.3198205913       20.9315776777       18.9966093080
  H         6.9913712230       18.9562567589       17.0330205684
  H         9.3689674834       15.6387280059       15.6772066389
  H         6.6715164265       17.6063750094       12.9625709469
  H         6.9027878557       21.6231155422       16.2715650311
  H         9.3258647372       23.5738975886       13.2968328091
  H         6.6807050410       20.3800046262       12.1612018793
  H         4.4314262996       17.1608536891       13.8805369569
  H         1.8124070478       18.4916019499       10.7382418176
  H         4.3010100500       21.3268844164       12.8125116148
  F        15.6185814079        1.2750397605       -0.2928537570
  C        15.6617837552        1.6681149709        1.0286387732
  F        16.9912693954        1.8961087610        1.3187380063
  F        15.0494863822        2.8842423340        1.1014836420
  C        15.0727723487        0.6117904087        1.9261409168
  C        14.2339538753        0.9254979880        3.0026406188
  C        13.7393661875       -0.0699554003        3.8743548008
  C        14.1823805573       -1.3816863194        3.6406501632
  C        15.0054485413       -1.7035645524        2.5574280870
  C        15.4499036066       -0.7148184371        1.6790371559
  C        15.4680238230       -3.1193993196        2.3841355532
  F        16.0485214562       -3.3176599246        1.1717135703
  F        14.4479792033       -4.0415968984        2.4967563886
  F        16.4091075083       -3.4512248511        3.3551105711
  B        12.7922659261        0.2697865043        5.1660232796
  C        11.7348139738        1.4786014612        4.8519889904
  C        11.1245310309        1.5880872166        3.5866666006
  C        10.1457698453        2.5497107329        3.3212705259
  C         9.7293802164        3.4497795502        4.3067117246
  C        10.3125970208        3.3489160461        5.5673339853
  C        11.2876036469        2.3769796831        5.8356935125
  C         9.9441556360        4.3098054758        6.6589801570
  F        11.0725635708        4.8835300333        7.1915555647
  F         9.1305063620        5.3322073409        6.2361859344
  F         9.3044027554        3.6802627109        7.7002274834
  C         9.6238060077        2.7174662975        1.9294226463
  F         9.4969096016        1.5330459837        1.2492167653
  F         8.4033305843        3.3405529099        1.9039272595
  F        10.4693334212        3.4745037105        1.1648361297
  C        11.7955610584       -0.9710129744        5.5563527300
  C        11.2600904260       -1.8510568812        4.5976139369
  C        10.2966945206       -2.8107287532        4.9286734357
  C         9.8222114203       -2.9359172004        6.2375487767
  C        10.3421602016       -2.0722697969        7.2000990900
  C        11.3041949360       -1.1119824482        6.8656756145
  C         9.9454920481       -2.1881702639        8.6401738873
  F         9.5857253588       -0.9741615340        9.1688557259
  F         8.9071607393       -3.0504475443        8.8704540260
  F        11.0137777341       -2.6145936508        9.3932961597
  C         9.7530412945       -3.6991891908        3.8503156027
  F         8.8179050906       -4.5675869437        4.3254411289
  F        10.7199812697       -4.4531844771        3.2282073994
  F         9.1416259366       -2.9678366536        2.8552665282
  C        13.8544203722        0.6131775295        6.3636515710
  C        14.3454931153        1.9121227955        6.5787827623
  C        15.3239493640        2.1872191886        7.5435318320
  C        15.8631012813        1.1730469315        8.3314704155
  C        15.4105636685       -0.1330229242        8.1097395160
  C        14.4332859046       -0.4045857059        7.1488605510
  C        16.0235186386       -1.2299496390        8.9255383427
  F        16.0416978557       -0.8765574732       10.2642020182
  F        17.3295047382       -1.4918385557        8.5812307299
  F        15.3722220623       -2.4178048876        8.8051742086
  C        15.8731383223        3.5773370627        7.6342360844
  F        16.4756089894        3.8590426931        8.8222232142
  F        14.9138983936        4.5293024547        7.4103182051
  F        16.8271188375        3.7874029748        6.6665876145
  H        13.9617465366        1.9666915128        3.1698035794
  H        13.8773231812       -2.1791094466        4.3175088325
  H        16.0861300658       -0.9670719190        0.8352328624
  H        11.4199882523        0.9079825627        2.7885846437
  H         8.9887847774        4.2134460377        4.0913287448
  H        11.7121383398        2.3318547001        6.8379190079
  H        11.5965515233       -1.7915530583        3.5632222301
  H         9.0840810486       -3.6864402908        6.5008563779
  H        11.6770244174       -0.4549255662        7.6500735290
  H        13.9637339575        2.7371980171        5.9798927654
  H        16.6140244743        1.3898993141        9.0868556713
  H        14.1156911794       -1.4366906346        7.0075785873
  H        10.8051377305       11.7697236838        4.7642272581
  H        11.6138329188       10.0737795916        3.1410487845
     646
 i =       99, E =         0.0045249974
 Rh         3.6393406858        0.2374661795        4.8185360367
  P         5.3865857157        0.6383293402        6.2836243891
  C         5.2299080824       -0.2975177532        7.8724785916
  C         4.8289975904       -1.7705591539        7.6683492736
  C         4.5358319353       -2.4308022241        9.0259759655
  C         5.7214210290       -2.3049776195        9.9936429897
  C         6.1887348148       -0.8494358342       10.1412727462
  C         6.4654792925       -0.1895038395        8.7798706817
  C         5.6712948606        2.4051954026        6.8011548412
  C         4.6448103849        2.8172857369        7.8809278467
  C         4.6155312725        4.3283913622        8.1661737293
  C         4.5374011584        5.1585208617        6.8820912946
  C         5.7021674808        4.8013859701        5.9564794327
  C         5.6247860670        3.3218445339        5.5601834128
  C         6.9986631199        0.0916035596        5.5174575706
  C         6.9696496533        0.2289421213        3.9867451646
  P         5.3072184704       -0.2370607683        3.2895347309
  C         5.4566773062       -2.0247732328        2.7849797180
  C         4.3611172048       -2.4034265231        1.7683942764
  C         4.3778907897       -3.9022425481        1.4500400890
  C         4.2397413362       -4.7495457476        2.7167804450
  C         5.3676272554       -4.4264433542        3.7016266670
  C         5.4043341398       -2.9260537079        4.0404047270
  C         5.1388047307        0.7079729752        1.7064259562
  C         4.8635286884        2.2089825136        1.9219027505
  C         4.4319955496        2.8401664586        0.5873353219
  C         5.4905037096        2.6357174614       -0.5084004461
  C         5.9026347096        1.1606134364       -0.6500354129
  C         6.2896100310        0.5291338078        0.7008533812
  C         1.8793673327        0.3150865428        3.4701001704
  C         1.9061499402       -0.9369602405        4.0908791750
  C         1.0712468905       -0.8130717330        5.3790955017
  C         1.9377091869        0.1164043638        6.2556832342
  C         1.9089488944        1.3681805941        5.6398223241
  C         1.0257766945        1.2230111737        4.3837989845
  C        -0.0135361525        0.1898641851        4.8994307979
  H         4.3860499576        0.2054938283        8.3732851178
  H         5.6412659077       -2.3122202100        7.1609958555
  H         3.9507440566       -1.8355622533        7.0083035439
  H         4.2733482529       -3.4883186592        8.8802888260
  H         3.6496352126       -1.9509683447        9.4662435451
  H         5.4442307605       -2.7120690881       10.9769043350
  H         6.5569408285       -2.9200569179        9.6329501002
  H         7.0971618129       -0.7978307280       10.7596140436
  H         5.4112519191       -0.2700239061       10.6637020826
  H         6.7663720238        0.8564237997        8.9242182838
  H         7.3128581107       -0.6913097426        8.2950251885
  H         6.6842568619        2.4574509301        7.2324048647
  H         4.8620089802        2.2833361674        8.8158884732
  H         3.6411851545        2.4928739574        7.5722701935
  H         5.5194893675        4.6177202724        8.7209573347
  H         3.7638194762        4.5462494687        8.8267749230
  H         4.5364435376        6.2292174910        7.1276274477
  H         3.5885226643        4.9645268095        6.3598153462
  H         6.6530405759        4.9988250388        6.4704899551
  H         5.7027111441        5.4241728561        5.0527493623
  H         6.4419027691        3.0670840304        4.8694502318
  H         4.6865961250        3.1392910207        5.0107212108
  H         7.8364482677        0.6551348358        5.9528707744
  H         7.1390735576       -0.9597994396        5.8060140471
  H         7.7638284234       -0.3655633021        3.5126672175
  H         7.1352065192        1.2753318636        3.6938075122
  H         6.4395720859       -2.1445120958        2.3008989729
  H         4.4787928914       -1.8275872797        0.8407929323
  H         3.3729019414       -2.1367662256        2.1657795875
  H         5.3199228346       -4.1540559402        0.9419774815
  H         3.5687685070       -4.1275062334        0.7440271549
  H         4.2404485057       -5.8169841866        2.4563580406
  H         3.2644945105       -4.5558746404        3.1876775280
  H         5.2452222302       -4.9953863409        4.6356762918
  H         6.3312892464       -4.7344410804        3.2705618705
  H         6.2675804139       -2.7178268152        4.6887859653
  H         4.5081639212       -2.6604850093        4.6243495087
  H         4.2268895309        0.2732889980        1.2640672212
  H         5.7753988865        2.7050883423        2.2871173657
  H         4.0925356680        2.3555881128        2.6935735301
  H         4.2269176971        3.9112950084        0.7230042663
  H         3.4822152668        2.3812385734        0.2739759369
  H         6.3782424667        3.2413522850       -0.2748822100
  H         5.1074994772        3.0111951282       -1.4688424845
  H         6.7436795007        1.0689406451       -1.3531602707
  H         5.0663593456        0.5872161106       -1.0810064582
  H         7.1881556473        1.0227184056        1.0919629311
  H         6.5477640266       -0.5284673736        0.5623834663
  H         2.1158420608        0.5359796612        2.4329187442
  H         2.1750493839       -1.8887901588        3.6434169236
  H         0.7544802261       -1.7531505750        5.8368422892
  H         2.2271919693       -0.1042332245        7.2790448343
  H         2.1813564190        2.3223646378        6.0819624545
  H         0.6642951380        2.1539068189        3.9397594454
  H        -0.6355022373        0.5736948108        5.7146073776
  H        -0.6423579928       -0.2165255139        4.1006412856
 Rh        14.7184155167       19.6359899346       14.9741688156
  P        12.9518410671       19.2044721825       13.5266242640
  C        13.1247321606       20.1882156851       11.9629951325
  C        13.5038505730       21.6600682718       12.2119414780
  C        13.8474545697       22.3542670342       10.8835575958
  C        12.6913412773       22.2522195213        9.8788419885
  C        12.2580693363       20.7937978040        9.6696879829
  C        11.9334720573       20.0872009470       10.9987645290
  C        12.6563626939       17.4558726132       12.9526373053
  C        13.6670844127       17.0369978838       11.8633464440
  C        13.5970930063       15.5337241792       11.5523276869
  C        13.7857399522       14.7063938384       12.8265015882
  C        12.6819800238       15.0373998752       13.8352282528
  C        12.6860778407       16.5322311617       14.1910007065
  C        11.3303568799       19.6871070059       14.3329176019
  C        11.4106369651       19.6748358379       15.8713812233
  P        13.0884625551       20.1706344110       16.5153008869
  C        12.9303096292       21.9709696407       16.9594374112
  C        13.9863657713       22.4305748856       17.9877820219
  C        13.9974837239       23.9592911940       18.1690844325
  C        14.0840044168       24.7150281954       16.8388879812
  C        12.9443462009       24.2947420928       15.9090717068
  C        13.0189209542       22.7860482958       15.6515749135
  C        13.3283559378       19.2272566845       18.0926610423
  C        13.5933242407       17.7354735883       17.8068195905
  C        14.0369082033       17.0196690422       19.0906382982
  C        12.9922461830       17.1734970988       20.2068239914
  C        12.6224372486       18.6473507084       20.4491397583
  C        12.2252919992       19.3831624044       19.1525369993
  C        16.4435561290       19.6319239290       16.3554354328
  C        16.4634840381       20.8238746480       15.6236820195
  C        17.3242148551       20.5586491823       14.3728649751
  C        16.4487520328       19.5776899686       13.5619246817
  C        16.4243170222       18.3872417786       14.2897571238
  C        17.2865258635       18.6206471120       15.5480159023
  C        18.3690678446       19.5750871240       14.9699118696
  H        13.9949780929       19.7055331376       11.4866692666
  H        12.6630474301       22.1839879672       12.6902885310
  H        14.3512342337       21.7175414107       12.9122897833
  H        14.1070588069       23.4063376695       11.0663291928
  H        14.7473214913       21.8834422011       10.4602834239
  H        12.9855441642       22.7008514437        8.9184655529
  H        11.8360040778       22.8390181295       10.2422635295
  H        11.3796550195       20.7441117348        9.0093922025
  H        13.0698970198       20.2465372053        9.1651316025
  H        11.6633564497       19.0408440018       10.8076915780
  H        11.0530621237       20.5552400466       11.4574069871
  H        11.6456223915       17.4302098818       12.5132881317
  H        13.4825026940       17.6102572726       10.9446101352
  H        14.6896458355       17.2872146532       12.1819683100
  H        12.6220415561       15.2915798978       11.1046115543
  H        14.3575942250       15.2817868138       10.7994476658
  H        13.7947955044       13.6330408069       12.5910793917
  H        14.7693398259       14.9264705564       13.2687541250
  H        11.7078059285       14.7484456997       13.4172564585
  H        12.8104075051       14.4621163251       14.7621020292
  H        11.8311334206       16.7638137220       14.8448125217
  H        13.5907443262       16.7593223994       14.7774831495
  H        10.5380381148       19.0080931541       13.9848652620
  H        11.0680083748       20.6886437609       13.9648961252
  H        10.6348410820       20.3148212049       16.3158924157
  H        11.2391348406       18.6582426611       16.2522166365
  H        11.9274007486       22.1114705803       17.3938605839
  H        13.7970977732       21.9564892708       18.9614547872
  H        14.9865868673       22.0980504450       17.6775653466
  H        13.0834345694       24.2691342664       18.6952283414
  H        14.8399139432       24.2349106098       18.8177865599
  H        14.0627484697       25.7970876269       17.0253900368
  H        15.0485790868       24.5168644136       16.3487216878
  H        12.9905837690       24.8279881059       14.9493740102
  H        11.9759062522       24.5474000512       16.3633415768
  H        12.2314743763       22.4731893974       14.9522187578
  H        13.9758379984       22.5509506733       15.1575848807
  H        14.2568788789       19.6599876153       18.5025207866
  H        12.6729477667       17.2654896703       17.4281790927
  H        14.3498242142       17.6286413678       17.0135979098
  H        14.2186326296       15.9561723387       18.8779537451
  H        15.0003889667       17.4383091194       19.4185694899
  H        12.0889213191       16.6068831072       19.9374711472
  H        13.3685389376       16.7254712171       21.1379956737
  H        11.7942564381       18.7116516112       21.1706313420
  H        13.4801924114       19.1659782389       20.9060767830
  H        11.2848928781       18.9659940990       18.7683196343
  H        12.0342912119       20.4420281173       19.3680723225
  H        16.1905573917       19.5169422327       17.4054919231
  H        16.2092954962       21.8183499234       15.9805468216
  H        17.6805339064       21.4423302882       13.8380212504
  H        16.1841016141       19.7108062871       12.5169771413
  H        16.1228917177       17.4054614821       13.9342727250
  H        17.6059217891       17.7242640167       16.0851712222
  H        19.0022506045       19.1024411906       14.2110048068
  H        18.9883306631       20.0363604945       15.7482006555
 Rh         5.9679129735       10.0633272964       14.9861194243
  P         4.1658726210        9.5900254956       13.6096105870
  C         3.7772192955        7.8434953665       13.0915131337
  C         3.6939774168        6.9086515633       14.3183253641
  C         3.6615747736        5.4250350647       13.9141881625
  C         4.8628738024        5.0744964943       13.0337162212
  C         4.7948879555        5.8908966316       11.7429883118
  C         4.8121787482        7.3967946297       12.0396763278
  C         2.5876909323       10.2095821503       14.3790920116
  C         2.6578841198       10.1152920513       15.9085698590
  P         4.3417078233       10.6126068029       16.5290565020
  C         4.1451211969       12.3850497030       17.0439970407
  C         3.9970294816       13.2758409386       15.7906496533
  C         4.0761948332       14.7743768552       16.1166315460
  C         5.3768792744       15.0836926052       16.8615946150
  C         5.4130890616       14.3003966438       18.1752087511
  C         5.3303948458       12.7887055063       17.9443782197
  C         4.5824577530        9.6734057249       18.1022658332
  C         4.9387894935        8.1984692771       17.8356009990
  C         5.2260511380        7.4767552963       19.1592159141
  C         4.0261574661        7.5779547021       20.1118181381
  C         3.3932473053        9.8062187549       19.0664571714
  C         3.6568882096        9.0453342477       20.3759910727
  C         4.3679176578       10.5428586133       12.0358207624
  C         4.7039255368       12.0230840172       12.3018683077
  C         5.0021357794       12.7612125218       10.9865187983
  C         3.8631247813       12.6020100245        9.9684376218
  C         3.4995362602       11.1273482656        9.7450350869
  C         3.1857780537       10.4107496616       11.0683734675
  C         7.8107838497       11.1862047420       15.5483993897
  C         7.5839302506        8.6894995450       14.3524334970
  C         8.4858168439        8.9324769799       15.5807028608
  C         9.6172669089        9.7756560842       14.9303678015
  C         8.6288181043       10.7970528224       14.3002899011
  C         7.7307963776       10.0422326868       16.3455501970
  C         7.6719744489        9.8366246776       13.5587995841
  H         2.7829992450        7.8751997377       12.6156143403
  H         4.5618944144        7.0804379554       14.9736576468
  H         2.8007370626        7.1536232928       14.9126417533
  H         2.7378786476        5.2018588762       13.3628607494
  H         3.6364281333        4.8118937855       14.8220035978
  H         5.7967600039        5.2930169234       13.5740868908
  H         4.8904991218        4.0001690332       12.8057031795
  H         5.6293931522        5.6497678055       11.0705040934
  H         3.8739570888        5.6284474692       11.2028519536
  H         4.6288511343        7.9501738351       11.1131300503
  H         5.8225696710        7.6774938928       12.3707538466
  H         2.4710116620       11.2550689548       14.0619509826
  H         1.7258412567        9.6558981955       13.9801466891
  H         1.8839903236       10.7315754878       16.3878860496
  H         2.4977329043        9.0787504216       16.2359639333
  H         3.2138657458       12.4539986563       17.6290822372
  H         4.7951299120       13.0255963271       15.0747094034
  H         3.0442204207       13.0519279509       15.2903447903
  H         3.9970584552       15.3491003924       15.1825504968
  H         3.2189916467       15.0713749655       16.7379705675
  H         5.4792612302       16.1582975708       17.0616337368
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 Rh        12.6616179930        9.7993053006        4.6971989516
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  H        16.2295160219        8.8593288955        8.2819916191
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  F         7.3491267164       10.8242933147       -0.2348546623
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  C         6.4470122721        7.8476657832        2.4603194095
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  C         5.7236837806       10.4807021214        2.9484932520
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  F         0.1933336635        5.0737180782        4.3299008545
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  H         3.1994524442       11.9298380313        6.8014498062
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  F        11.2165889995        9.0174597471       20.2229080303
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  C        11.4338335944       11.0385787662       18.1977895504
  C        11.8870189110       12.0126277604       17.3078698966
  C        12.7682044461       11.6831937212       16.2690579862
  C        13.2460437094       10.3745549008       16.0787376656
  C        12.7703570128        9.4041331606       16.9868318633
  B        14.1571434947        9.9818615318       14.7699810899
  C        15.1618973705       11.1871062285       14.3007582372
  C        15.7682597546       12.0526528325       15.2263460351
  C        16.7031455964       13.0202831665       14.8378756061
  C        17.0862655814       13.1519314132       13.4979634779
  C        16.5054459092       12.2886410635       12.5612337019
  C        15.5651714541       11.3313931566       12.9595920177
  C        16.8417091798       12.3980144992       11.0970143090
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  F        15.7544033172       12.8159696416       10.3460699972
  F        17.2355686247       11.1909776448       10.5615910174
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  F        18.1482877479       14.8385555623       15.4059234361
  F        17.8387044384       13.2541325736       16.9341162040
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  C        12.4470976257       10.6737601788       12.8466597203
  C        11.4641061661       10.4124836187       11.8824677191
  C        11.0368460320        9.1079268206       11.6352716972
  C        11.6023962904        8.0752288774       12.3846964171
  C        12.5842853923        8.3390318743       13.3461218340
  C        11.0275086473        6.6992437930       12.2313593576
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  F        11.9227894095        5.6911828506       12.4652884841
  F        10.0063409275        6.4975245137       13.1312778424
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  F        10.6237356329       12.6604740868       11.7445094612
  F        11.7668445924       11.8866659950       10.0457105376
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  C        15.8591173401        8.5679086370       16.2867628181
  C        16.8099825507        7.5576781984       16.4648117435
  C        17.1137133226        6.6660431653       15.4327540364
  C        16.4829120312        6.8318753776       14.2075813486
  C        15.5628912195        7.8676527171       14.0127882325
  C        17.4843651685        7.2666422312       17.7707418239
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  F        16.7937865742        6.3143796814       18.4809917854
  F        18.7592557775        6.7893201414       17.5410711011
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  F        10.4810532104       13.7341153880       16.4317311207
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  F        17.3766681506        6.5266853176       12.0280115924
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  H        13.0853051058       12.4711962585       15.5872840271
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  H        12.9891920944        7.5045801759       13.9167047862
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  H        17.8207349800        5.8583772594       15.5887581871
  H        15.1188047051        7.9858781767       13.0268250179
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  F         3.3606225412       17.0875284424       18.6304435587
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  C         4.1842330392       19.0335469788       16.8420190765
  C         4.6929883535       20.0196280682       15.9719572854
  C         4.2722370652       21.3377893773       16.2198853116
  C         3.4401360543       21.6643350120       17.2991845685
  C         2.9736016354       20.6795232125       18.1657493084
  C         2.9237926530       23.0646383538       17.4350761826
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  F         3.9024294133       24.0240292911       17.3050594448
  F         1.9926067974       23.2933672660       16.4316756893
  B         5.6124587965       19.6397037497       14.6707145654
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  C         7.2717716229       18.2832496524       16.2240993506
  C         8.2427478415       17.3093447235       16.4683139621
  C         8.6392924966       16.4157440313       15.4729717781
  C         8.0501454619       16.5432433756       14.2152919553
  C         7.0904025303       17.5322408566       13.9648997724
  C         8.4234754002       15.5967580164       13.1143755686
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  F         9.2157627893       14.5689761673       13.5620856407
  F         9.1081695460       16.2277102951       12.1007565828
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  F        10.0142825086       16.5639950432       17.8927768633
  F         7.9538650945       16.3794139373       18.6302513009
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  C         7.2081589523       21.7042008916       15.2292221431
  C         8.1644328302       22.6673556028       14.8889252509
  C         8.5962506207       22.8172043032       13.5677351988
  C         8.0410678031       21.9751839100       12.6042788695
  C         7.0843675490       21.0155436665       12.9477901637
  C         8.4046531811       22.1125183655       11.1579458144
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  F         9.3805754860       23.0322459482       10.9268748392
  F         7.3248932269       22.5146949980       10.4083357949
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  F         7.6876837803       24.3578453287       16.5045317659
  F         9.2705099974       22.8897415436       17.0027023270
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  C         4.0535702488       17.9796394649       13.2694540800
  C         3.0847054534       17.6953982791       12.2960913874
  C         2.5620782526       18.7109825692       11.4947324643
  C         3.0197132206       20.0178597191       11.7013652631
  C         3.9809970453       20.2955441444       12.6766718575
  C         2.3994999752       21.1144833494       10.8859152424
  F         2.3719419868       20.7825683756        9.5412614503
  F         1.0903616122       21.3344375611       11.2600412853
  F         3.0365805117       22.3173542586       10.9980127945
  C         2.5091111946       16.3089165473       12.1877038132
  F         1.9323481878       16.0520057249       10.9844368255
  F         3.4284553281       15.3142118819       12.3965921912
  F         1.5226141060       16.1211655735       13.1304802382
  H         4.4402227045       17.9880875042       16.6738327104
  H         4.5936672112       22.1345752970       15.5518190727
  H         2.3188682176       20.9314128609       18.9960927927
  H         6.9909036123       18.9558940585       17.0332138995
  H         9.3695000731       15.6392526342       15.6769747567
  H         6.6709264340       17.6057900569       12.9628531932
  H         6.9033031367       21.6225431275       16.2715665388
  H         9.3252679012       23.5744131596       13.2966822106
  H         6.6807607377       20.3797755367       12.1611400148
  H         4.4313690830       17.1608595254       13.8804279877
  H         1.8118416507       18.4916777013       10.7384123354
  H         4.3007874156       21.3267941070       12.8126352657
  F        15.6190028609        1.2745725255       -0.2927523928
  C        15.6616981921        1.6681692420        1.0284704434
  F        16.9912138022        1.8961342364        1.3187965554
  F        15.0495539023        2.8843640305        1.1020121366
  C        15.0729716044        0.6119771362        1.9260720822
  C        14.2334970172        0.9254309679        3.0023951621
  C        13.7388280733       -0.0699122157        3.8741018847
  C        14.1818525285       -1.3817477522        3.6402309558
  C        15.0054934505       -1.7035679541        2.5573900914
  C        15.4504466520       -0.7148849617        1.6794561940
  C        15.4680740987       -3.1195578887        2.3842919061
  F        16.0485221853       -3.3175699228        1.1716716269
  F        14.4479862042       -4.0414979715        2.4967187337
  F        16.4090426417       -3.4510921717        3.3550770510
  B        12.7919855778        0.2698202556        5.1657324864
  C        11.7348416997        1.4787440425        4.8514960653
  C        11.1247518386        1.5884197217        3.5864948884
  C        10.1457323408        2.5500894294        3.3213673586
  C         9.7295432433        3.4500946157        4.3069100752
  C        10.3127261761        3.3493830796        5.5669888680
  C        11.2877671996        2.3771310989        5.8355774971
  C         9.9458261690        4.3100202582        6.6591136306
  F        11.0782224536        4.8821946269        7.1906016364
  F         9.1314996461        5.3321028633        6.2366183652
  F         9.3050211475        3.6807051468        7.7001099923
  C         9.6239317252        2.7176779099        1.9294265254
  F         9.4967146587        1.5329960489        1.2490808894
  F         8.4031119001        3.3404870083        1.9038385275
  F        10.4693148226        3.4745483220        1.1647895624
  C        11.7949677726       -0.9706225349        5.5561521522
  C        11.2593265394       -1.8503969936        4.5973195832
  C        10.2963988520       -2.8104949738        4.9286303825
  C         9.8222289140       -2.9359724083        6.2374829288
  C        10.3420489987       -2.0721631711        7.2001917419
  C        11.3039782389       -1.1117116279        6.8654729641
  C         9.9454274040       -2.1881687134        8.6401793553
  F         9.5858177330       -0.9741014439        9.1688219035
  F         8.9071864427       -3.0504442114        8.8703797244
  F        11.0138085202       -2.6145613511        9.3932727571
  C         9.7529337789       -3.6991520295        3.8503091381
  F         8.8179393346       -4.5675663519        4.3253730599
  F        10.7199320673       -4.4531344121        3.2282213820
  F         9.1416348156       -2.9678508204        2.8552111683
  C        13.8539887671        0.6132119720        6.3632189409
  C        14.3446778641        1.9114335027        6.5778492369
  C        15.3241383222        2.1871900878        7.5423549961
  C        15.8629623206        1.1726431716        8.3302560414
  C        15.4108716897       -0.1324729438        8.1097789383
  C        14.4327733296       -0.4051116025        7.1486455586
  C        16.0234047395       -1.2300259840        8.9254139458
  F        16.0417131734       -0.8764779138       10.2641067607
  F        17.3294473947       -1.4917462749        8.5812075420
  F        15.3722430339       -2.4177400366        8.8051623141
  C        15.8728824717        3.5768326388        7.6308465029
  F        16.4771243702        3.8591337662        8.8164713661
  F        14.9136022436        4.5293719605        7.4096876833
  F        16.8272801206        3.7874248526        6.6645966863
  H        13.9609992347        1.9665976429        3.1691311690
  H        13.8761749800       -2.1792937623        4.3167985096
  H        16.0874166550       -0.9668802280        0.8361406454
  H        11.4201770464        0.9086922664        2.7883333951
  H         8.9888607318        4.2137817693        4.0913552261
  H        11.7122658650        2.3319913067        6.8378331619
  H        11.5951983640       -1.7903633954        3.5628835399
  H         9.0843599012       -3.6866486063        6.5009568959
  H        11.6768696524       -0.4546631885        7.6499907302
  H        13.9633315463        2.7370582391        5.9795302728
  H        16.6148758751        1.3900039732        9.0856174314
  H        14.1151783641       -1.4365449157        7.0077911229
  H        10.8051435644       11.7697296404        4.7626725223
  H        11.6129677509       10.0730128277        3.1404125738
     646
 i =      100, E =         0.0045040283
 Rh         3.6397176912        0.2376357466        4.8187306584
  P         5.3867089757        0.6383222310        6.2839325098
  C         5.2297973716       -0.2981455515        7.8724309041
  C         4.8295408986       -1.7713988527        7.6680219016
  C         4.5357377116       -2.4314809635        9.0255965355
  C         5.7212823900       -2.3060340560        9.9933043468
  C         6.1885219904       -0.8505081561       10.1413481527
  C         6.4651109897       -0.1900496113        8.7801578205
  C         5.6711526481        2.4052547774        6.8016518574
  C         4.6441158410        2.8176368096        7.8806966968
  C         4.6163548103        4.3286436072        8.1664881204
  C         4.5377280334        5.1588604084        6.8824933640
  C         5.7016127325        4.8016523568        5.9557887532
  C         5.6250713098        3.3217139187        5.5604653869
  C         6.9988391045        0.0917111388        5.5177873742
  C         6.9699636352        0.2289853816        3.9870443460
  P         5.3074724724       -0.2370450024        3.2899035281
  C         5.4575446590       -2.0246968139        2.7854767252
  C         4.3627186509       -2.4033047920        1.7681629091
  C         4.3780552543       -3.9022563440        1.4506673235
  C         4.2401802071       -4.7492756337        2.7176315749
  C         5.3684496118       -4.4262192404        3.7020262054
  C         5.4049568587       -2.9259154196        4.0409451373
  C         5.1378661776        0.7076159079        1.7066878843
  C         4.8622264790        2.2085777111        1.9221138756
  C         4.4318658554        2.8403262217        0.5874580006
  C         5.4910994348        2.6360360184       -0.5075970834
  C         5.9021147618        1.1606805635       -0.6498364475
  C         6.2882300737        0.5282600159        0.7008064496
  C         1.8797521320        0.3152819412        3.4701206762
  C         1.9063859717       -0.9366562972        4.0914121476
  C         1.0716900998       -0.8121926375        5.3796370920
  C         1.9382535022        0.1174155523        6.2557689174
  C         1.9097432341        1.3690733049        5.6397587487
  C         1.0263323517        1.2235301981        4.3837589262
  C        -0.0130142907        0.1907111050        4.8998292308
  H         4.3855639125        0.2043706513        8.3731220828
  H         5.6425304230       -2.3128322352        7.1615318892
  H         3.9518908841       -1.8369647673        7.0072616047
  H         4.2726969215       -3.4888677046        8.8800074253
  H         3.6497100242       -1.9511151399        9.4657212195
  H         5.4441694323       -2.7134431613       10.9764884826
  H         6.5567799298       -2.9210504150        9.6323745044
  H         7.0969791560       -0.7989829115       10.7596082481
  H         5.4109806118       -0.2714001868       10.6640293018
  H         6.7655912968        0.8559734833        8.9248839078
  H         7.3127024042       -0.6913724381        8.2952220541
  H         6.6838257161        2.4575965804        7.2335116982
  H         4.8598794413        2.2829562752        8.8156673404
  H         3.6404149377        2.4945105285        7.5710255920
  H         5.5210549611        4.6170300970        8.7205395249
  H         3.7653984340        4.5471555570        8.8277727787
  H         4.5376690626        6.2296993221        7.1282628427
  H         3.5883200872        4.9656658228        6.3611182405
  H         6.6529906282        5.0003932436        6.4683406951
  H         5.7003239033        5.4235234527        5.0515114732
  H         6.4429491272        3.0671760866        4.8704380819
  H         4.6874992398        3.1384455864        5.0103181074
  H         7.8366479679        0.6550752906        5.9533111263
  H         7.1390603056       -0.9597262084        5.8063441639
  H         7.7639994864       -0.3659806162        3.5131929886
  H         7.1360424120        1.2752497791        3.6939531974
  H         6.4408547541       -2.1442566819        2.3020634170
  H         4.4822241523       -1.8283217238        0.8401643068
  H         3.3743016933       -2.1349637969        2.1641160987
  H         5.3196866037       -4.1550509242        0.9421370135
  H         3.5684358497       -4.1272029969        0.7451558515
  H         4.2404874732       -5.8166707330        2.4573887166
  H         3.2651353071       -4.5552407228        3.1890022275
  H         5.2467590676       -4.9953873803        4.6359637362
  H         6.3320420146       -4.7338589561        3.2703156841
  H         6.2679021193       -2.7175477863        4.6895428683
  H         4.5085142328       -2.6605308685        4.6246432710
  H         4.2257366641        0.2725830632        1.2650262393
  H         5.7735657632        2.7047581724        2.2885140565
  H         4.0903660402        2.3547196675        2.6930438195
  H         4.2269969067        3.9114433873        0.7234472549
  H         3.4821876452        2.3818444947        0.2730834729
  H         6.3791506100        3.2407890521       -0.2728249891
  H         5.1092365808        3.0124905325       -1.4680330399
  H         6.7433191000        1.0686369477       -1.3527007867
  H         5.0654739443        0.5882560801       -1.0813949821
  H         7.1874967550        1.0204106525        1.0920984527
  H         6.5449606535       -0.5296720946        0.5618268647
  H         2.1160370394        0.5358055549        2.4330384793
  H         2.1751664546       -1.8886276314        3.6440135758
  H         0.7548162275       -1.7521451898        5.8378064594
  H         2.2280950035       -0.1030383913        7.2793286990
  H         2.1824872324        2.3231939332        6.0812299501
  H         0.6650263234        2.1544293476        3.9395350061
  H        -0.6349597282        0.5748212171        5.7147867385
  H        -0.6419295444       -0.2158826179        4.1010229874
 Rh        14.7184016903       19.6360178359       14.9743238083
  P        12.9522438952       19.2046782322       13.5266497641
  C        13.1252524087       20.1883397544       11.9629821001
  C        13.5040748012       21.6602536634       12.2119689044
  C        13.8474457422       22.3546436366       10.8836832691
  C        12.6912848210       22.2525531637        9.8790914044
  C        12.2576338226       20.7942951431        9.6700246369
  C        11.9337043308       20.0873948526       10.9990964374
  C        12.6570443881       17.4557314652       12.9535244653
  C        13.6678665978       17.0369986828       11.8642969549
  C        13.5978394036       15.5338419163       11.5527628407
  C        13.7854513485       14.7057417042       12.8265342755
  C        12.6820073342       15.0372324985       13.8354299703
  C        12.6870662676       16.5319447438       14.1917713205
  C        11.3307981021       19.6883104263       14.3321695290
  C        11.4103874118       19.6744172386       15.8706096617
  P        13.0879981272       20.1704459729       16.5148810461
  C        12.9293248321       21.9706238983       16.9592710425
  C        13.9862431542       22.4294890678       17.9869763269
  C        13.9970302431       23.9579000726       18.1695971460
  C        14.0843485900       24.7141973246       16.8398300231
  C        12.9446984772       24.2951871230       15.9094185957
  C        13.0167234902       22.7863403578       15.6517105816
  C        13.3284244931       19.2273169333       18.0922684197
  C        13.5940229989       17.7355650908       17.8068233805
  C        14.0366259350       17.0198159305       19.0910279190
  C        12.9912910832       17.1739502825       20.2065175252
  C        12.6225355254       18.6479939982       20.4488341334
  C        12.2254404119       19.3835046425       19.1521194010
  C        16.4439679706       19.6315057378       16.3554312199
  C        16.4637318009       20.8235184352       15.6239758365
  C        17.3240086498       20.5587963173       14.3726695186
  C        16.4482463782       19.5779708324       13.5617828217
  C        16.4240079174       18.3872248350       14.2893670459
  C        17.2867365070       18.6202698816       15.5474396443
  C        18.3690156192       19.5749657926       14.9691604816
  H        13.9955080089       19.7058326290       11.4863860495
  H        12.6630235786       22.1839275148       12.6902935114
  H        14.3513676668       21.7180627000       12.9124496606
  H        14.1068549039       23.4067721526       11.0665653234
  H        14.7474585397       21.8840807958       10.4602494737
  H        12.9854305213       22.7010988071        8.9185969474
  H        11.8360719853       22.8396247180       10.2425299511
  H        11.3787754318       20.7448715868        9.0102759471
  H        13.0690361787       20.2469178812        9.1648158705
  H        11.6634121107       19.0411484374       10.8080545856
  H        11.0535137330       20.5555052668       11.4582910123
  H        11.6462271810       17.4296539888       12.5142593014
  H        13.4836530484       17.6105550494       10.9457629364
  H        14.6904163430       17.2870120297       12.1833547646
  H        12.6229433344       15.2921389016       11.1042994611
  H        14.3587122574       15.2820950069       10.8002176648
  H        13.7934782599       13.6325276800       12.5905021599
  H        14.7693002576       14.9245407354       13.2690756132
  H        11.7075431440       14.7492407096       13.4172514354
  H        12.8098753880       14.4613855039       14.7619641056
  H        11.8326936414       16.7636487972       14.8462147525
  H        13.5922647853       16.7584228996       14.7778094471
  H        10.5376458902       19.0110116091       13.9827793897
  H        11.0703881237       20.6907517664       13.9651135061
  H        10.6342556497       20.3137972349       16.3154688572
  H        11.2390275636       18.6573819122       16.2503691010
  H        11.9267698962       22.1107417429       17.3947492521
  H        13.7984015326       21.9541752396       18.9602399660
  H        14.9862725681       22.0977348920       17.6750686587
  H        13.0824415235       24.2671732045       18.6953269995
  H        14.8388944784       24.2331949434       18.8190940771
  H        14.0639031074       25.7961541676       17.0266471895
  H        15.0490544898       24.5153764257       16.3499614226
  H        12.9923853765       24.8281970549       14.9496988940
  H        11.9763377276       24.5495611057       16.3630797621
  H        12.2275096449       22.4750045820       14.9536749929
  H        13.9724350547       22.5500180228       15.1558619343
  H        14.2569129327       19.6604641408       18.5018106639
  H        12.6741869473       17.2652474387       17.4272782765
  H        14.3513392976       17.6289469264       17.0143258134
  H        14.2183627988       15.9562966677       18.8785208612
  H        14.9999476927       17.4383350161       19.4196817947
  H        12.0876367186       16.6082379801       19.9362141315
  H        13.3664643358       16.7252276452       21.1378048435
  H        11.7947015944       18.7131299412       21.1706195561
  H        13.4808955985       19.1661771876       20.9052670852
  H        11.2850240815       18.9661880403       18.7680233998
  H        12.0344529837       20.4424342493       19.3672613793
  H        16.1913149520       19.5161239037       17.4054336504
  H        16.2097338559       21.8179835027       15.9812186018
  H        17.6800258814       21.4424501829       13.8380404039
  H        16.1831542457       19.7113585339       12.5170563843
  H        16.1223587153       17.4056423114       13.9338760813
  H        17.6062535610       17.7238688425       16.0841184112
  H        19.0019084351       19.1024972215       14.2098752792
  H        18.9885680082       20.0360183927       15.7473275346
 Rh         5.9672008069       10.0631427253       14.9861389940
  P         4.1656102777        9.5905223029       13.6088640141
  C         3.7783120084        7.8437155228       13.0910759839
  C         3.6958013692        6.9094856350       14.3184193194
  C         3.6622719808        5.4257536297       13.9147811352
  C         4.8630662779        5.0742444758       13.0338856092
  C         4.7955465557        5.8908791682       11.7432269867
  C         4.8141175018        7.3967016078       12.0402758712
  C         2.5872949344       10.2093620525       14.3787651988
  C         2.6574582823       10.1149810707       15.9083102187
  P         4.3411168013       10.6122415639       16.5293361382
  C         4.1453207934       12.3849800496       17.0439434321
  C         3.9978934620       13.2754805919       15.7902697668
  C         4.0764717015       14.7741166211       16.1160489508
  C         5.3766564831       15.0840542863       16.8616247599
  C         5.4128500390       14.3004758629       18.1750782890
  C         5.3309960328       12.7887789480       17.9437698612
  C         4.5817176795        9.6730637493       18.1028223496
  C         4.9374662920        8.1979639227       17.8359775262
  C         5.2251401588        7.4759501765       19.1594005749
  C         4.0258307760        7.5773858227       20.1127794335
  C         3.3929611839        9.8061866542       19.0676286216
  C         3.6568921763        9.0449216492       20.3770550503
  C         4.3674329257       10.5434750064       12.0349717055
  C         4.7039142067       12.0236035875       12.3009618090
  C         5.0031318138       12.7610836701       10.9854981300
  C         3.8636275511       12.6031319779        9.9678058785
  C         3.4992373076       11.1287220179        9.7441902867
  C         3.1852920955       10.4119548500       11.0674199024
  C         7.8094396821       11.1861618286       15.5486581926
  C         7.5835128847        8.6896982627       14.3526146664
  C         8.4849899278        8.9328089615       15.5809515909
  C         9.6163607344        9.7761936274       14.9309392745
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 Rh        12.6615243415        9.7997491163        4.6972114240
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  C        15.0571856814        8.7372761147       10.1069238780
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  H        11.6136667719        7.3847114352        5.3720154378
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  F         7.3491073290       10.8243327396       -0.2347927451
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  C         7.0135396536        8.8501056954        1.6801401449
  C         6.4469086393        7.8477257626        2.4603000015
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  C         5.1479389900        9.4820109400        3.7649987261
  C         5.7239902353       10.4806867931        2.9492039553
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  C         2.5786238450        7.8574881562        4.6578228891
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  C         1.8920905750        7.6021927145        7.3249838196
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  C         1.5835204036        7.5048578015        8.7978707285
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  F         2.6869228688        7.1594954347        9.5337454213
  F         1.1756578908        8.7166528059        9.3107765982
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  F         0.1938645517        5.0742262355        4.3299292906
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  C         1.1065298554       12.3799758327        1.9151770724
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  F         1.8934947503       13.1557240394        1.0972336070
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  F         7.4986506584        5.8846969473        3.2979109164
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  H         5.1127369448        7.3410163308        4.0658228515
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  H         3.2007553810       11.9309731334        6.8013886992
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  F        11.2165371154        9.0174937191       20.2229961064
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  C        11.4340403531       11.0388254036       18.1981065592
  C        11.8871613299       12.0126432284       17.3080139987
  C        12.7682233405       11.6830664215       16.2693979329
  C        13.2457736778       10.3746292164       16.0787762207
  C        12.7699202332        9.4040334349       16.9863292673
  B        14.1570761135        9.9818454165       14.7700156062
  C        15.1617848348       11.1871794518       14.3006663083
  C        15.7678661204       12.0531184190       15.2261580909
  C        16.7029441518       13.0203618001       14.8377174582
  C        17.0862718983       13.1519765699       13.4981184919
  C        16.5054744473       12.2885082514       12.5611868187
  C        15.5653414901       11.3310713037       12.9596975828
  C        16.8417967888       12.3978325164       11.0971564418
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  F        15.7543039242       12.8160340618       10.3459426976
  F        17.2355208572       11.1910388461       10.5615487646
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  F        18.1483282444       14.8385909017       15.4059107646
  F        17.8387147637       13.2541559788       16.9340955818
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  C        12.4471774612       10.6740201170       12.8466920203
  C        11.4639832580       10.4129397132       11.8819149255
  C        11.0373556140        9.1077534729       11.6348099930
  C        11.6026765650        8.0753779556       12.3850700708
  C        12.5835133717        8.3391783029       13.3466090672
  C        11.0274433498        6.6991840157       12.2312885565
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  F        11.9228699002        5.6911749474       12.4653729465
  F        10.0062352301        6.4975096011       13.1314379085
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  F        10.6238129791       12.6604470401       11.7443243091
  F        11.7669331689       11.8870956285       10.0453772931
  C        15.1946347101        8.7426891010       15.0504963463
  C        15.8589067371        8.5678159164       16.2868638712
  C        16.8097919393        7.5578844401       16.4647493563
  C        17.1140198595        6.6660284451       15.4326206517
  C        16.4828072103        6.8319674880       14.2076292777
  C        15.5628197698        7.8673264367       14.0131542936
  C        17.4843122005        7.2666459993       17.7708374380
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  F        16.7937500925        6.3143745328       18.4809285689
  F        18.7592862410        6.7892768919       17.5410507699
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  F        10.4810643178       13.7341703964       16.4317633221
  F        12.4022020607       14.3402199470       17.3058271906
  F        17.6302417252        4.8717748947       13.4874776335
  F        17.3764225501        6.5265997563       12.0285259065
  F        15.6571205472        5.2689140702       12.6116572190
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  H        10.7374027309       11.2936978272       18.9918116487
  H        13.0856635548       12.4714594375       15.5875503092
  H        13.0849678034        8.3688541305       16.8729247571
  H        15.5024377155       11.9793810346       16.2798810015
  H        17.7981786598       13.9130652230       13.1935169081
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  H        10.2665027747        8.9012131749       10.8990498747
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  H        15.6329805646        9.2324637128       17.1203353431
  H        17.8209493287        5.8590594022       15.5884712171
  H        15.1180393687        7.9856062605       13.0265910761
  F         2.7320702753       18.6338498394       20.1004716615
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  F         3.3600503432       17.0875809691       18.6309364944
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  C         4.1841944566       19.0332599235       16.8418357225
  C         4.6927075799       20.0196122173       15.9724555905
  C         4.2723862467       21.3377499422       16.2203773040
  C         3.4402812043       21.6641045141       17.2989032011
  C         2.9727058700       20.6797524956       18.1657000989
  C         2.9237426048       23.0646709373       17.4349981134
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  F         3.9023872684       24.0240563044       17.3051580205
  F         1.9925771121       23.2934416045       16.4316863430
  B         5.6125037357       19.6395418637       14.6706285715
  C         6.6542205535       18.4161334934       14.9679522039
  C         7.2710467247       18.2833401465       16.2241466054
  C         8.2430931199       17.3090393924       16.4686419078
  C         8.6394553536       16.4159827866       15.4724868621
  C         8.0501623572       16.5432183787       14.2155644889
  C         7.0900326941       17.5319086722       13.9654257466
  C         8.4235003867       15.5967212546       13.1144092306
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  F         9.2157853932       14.5689854320       13.5620808502
  F         9.1081484653       16.2276920510       12.1007127222
  C         8.7832658916       17.1552926997       17.8519807968
  F         8.9100603465       18.3673926574       18.4839733614
  F        10.0142452840       16.5640456847       17.8928016899
  F         7.9538988079       16.3793903072       18.6302759898
  C         6.6303693528       20.8547400849       14.2668447823
  C         7.2083041050       21.7035735717       15.2291284832
  C         8.1644460007       22.6673852384       14.8890730669
  C         8.5962088721       22.8178145833       13.5676459407
  C         8.0409971312       21.9752025251       12.6039767029
  C         7.0841107900       21.0150494310       12.9479532939
  C         8.4045751883       22.1125433972       11.1581127439
  F         8.8236043483       20.9056808186       10.6311216158
  F         9.3805928205       23.0322694789       10.9268083936
  F         7.3248729432       22.5147029715       10.4082775243
  C         8.6820720735       23.5855524825       15.9561999163
  F         9.6017877283       24.4691388735       15.4764896444
  F         7.6876759308       24.3578507559       16.5045364900
  F         9.2705236783       22.8897292327       17.0027160049
  C         4.5434527978       19.2826551721       13.4793188094
  C         4.0537108600       17.9796788286       13.2696766803
  C         3.0844239513       17.6951314494       12.2960582071
  C         2.5615318655       18.7111513802       11.4946054247
  C         3.0196199898       20.0178870119       11.7015537707
  C         3.9808377654       20.2953825300       12.6768287683
  C         2.3994742962       21.1147500394       10.8859145243
  F         2.3719648652       20.7825875087        9.5413756252
  F         1.0903516222       21.3344555170       11.2600972707
  F         3.0364130432       22.3171232548       10.9979656146
  C         2.5091535604       16.3091603606       12.1876550531
  F         1.9323434489       16.0519912517       10.9844310958
  F         3.4285298928       15.3141014133       12.3965971629
  F         1.5224729678       16.1210928905       13.1305915008
  H         4.4399756984       17.9885641245       16.6737727534
  H         4.5945652008       22.1350320581       15.5522589134
  H         2.3178624280       20.9312538649       18.9951261760
  H         6.9903738527       18.9552679451       17.0333281775
  H         9.3702832830       15.6398711442       15.6767353383
  H         6.6700419597       17.6050461267       12.9629322358
  H         6.9039585213       21.6218146225       16.2717804359
  H         9.3242754599       23.5748546721       13.2965740933
  H         6.6809612237       20.3796496886       12.1612233499
  H         4.4312815586       17.1608977787       13.8802709797
  H         1.8114653831       18.4918628456       10.7389968692
  H         4.3005925842       21.3269405829       12.8128439691
  F        15.6187730447        1.2748327764       -0.2928153309
  C        15.6618186088        1.6682018422        1.0285388251
  F        16.9912221670        1.8961620301        1.3187565042
  F        15.0495207258        2.8842978889        1.1017566074
  C        15.0728809427        0.6117579472        1.9263717443
  C        14.2331633435        0.9252105390        3.0017406557
  C        13.7382656351       -0.0699425920        3.8735924533
  C        14.1809503072       -1.3819449740        3.6399869942
  C        15.0055631292       -1.7037828816        2.5573830973
  C        15.4511582420       -0.7144311994        1.6798781142
  C        15.4680002995       -3.1193777802        2.3843006532
  F        16.0485133151       -3.3176092188        1.1717025998
  F        14.4479463845       -4.0415568852        2.4967364520
  F        16.4090898117       -3.4511767649        3.3551425534
  B        12.7914387085        0.2697714376        5.1653174448
  C        11.7348978587        1.4790420232        4.8512885375
  C        11.1247564414        1.5891424745        3.5863028292
  C        10.1457896754        2.5503959818        3.3212982279
  C         9.7295740741        3.4505867228        4.3068937065
  C        10.3134207235        3.3496439410        5.5669760865
  C        11.2879617228        2.3772695635        5.8352814779
  C         9.9486208189        4.3105108043        6.6595232233
  F        11.0862135041        4.8798822661        7.1889758540
  F         9.1328702501        5.3320581002        6.2371786558
  F         9.3058600916        3.6811790236        7.6999524395
  C         9.6237077863        2.7177462378        1.9293102787
  F         9.4967897833        1.5332206544        1.2492899537
  F         8.4032315410        3.3404659497        1.9038650433
  F        10.4693093101        3.4746121895        1.1647423940
  C        11.7943023189       -0.9699866239        5.5559041824
  C        11.2581933466       -1.8496788224        4.5969279181
  C        10.2959926775       -2.8102054728        4.9285918518
  C         9.8223742444       -2.9358704961        6.2375189280
  C        10.3420150105       -2.0719801984        7.2000118563
  C        11.3034712452       -1.1115374142        6.8654071080
  C         9.9454419243       -2.1881093485        8.6401974096
  F         9.5857680120       -0.9741033288        9.1688578386
  F         8.9071550904       -3.0504570045        8.8704168220
  F        11.0137845943       -2.6145638987        9.3932609901
  C         9.7528651465       -3.6990226696        3.8502677484
  F         8.8178423420       -4.5676327810        4.3254341661
  F        10.7199354427       -4.4531387292        3.2282525540
  F         9.1415562806       -2.9678259734        2.8551365990
  C        13.8534094072        0.6127960931        6.3627663788
  C        14.3444393907        1.9107674392        6.5773805372
  C        15.3235224028        2.1863897257        7.5399405702
  C        15.8634381246        1.1731271420        8.3290899850
  C        15.4106509271       -0.1326875304        8.1093876012
  C        14.4322617701       -0.4052633191        7.1484424498
  C        16.0233404729       -1.2297950160        8.9252797906
  F        16.0416689150       -0.8764539648       10.2640424969
  F        17.3294401343       -1.4917590887        8.5811808246
  F        15.3721817157       -2.4178047701        8.8051358590
  C        15.8729348344        3.5767578381        7.6270523734
  F        16.4784866754        3.8590103767        8.8100555963
  F        14.9133022093        4.5292322318        7.4089262333
  F        16.8275786259        3.7873278877        6.6620211202
  H        13.9599623830        1.9665840645        3.1682994357
  H        13.8747345747       -2.1793935759        4.3157254442
  H        16.0890843981       -0.9666831666        0.8373184134
  H        11.4204668109        0.9094656353        2.7878053897
  H         8.9889297412        4.2142512223        4.0913883945
  H        11.7123655806        2.3321668146        6.8375460157
  H        11.5934404062       -1.7888107582        3.5623885497
  H         9.0846491318       -3.6870057068        6.5011039776
  H        11.6766624893       -0.4543273936        7.6498407987
  H        13.9626063636        2.7370082787        5.9788001071
  H        16.6156945378        1.3900613190        9.0836817699
  H        14.1144684516       -1.4365570878        7.0080682110
  H        10.8051684355       11.7697909523        4.7606376707
  H        11.6119544619       10.0720053385        3.1395406251
     646
 i =      101, E =         0.0000149518
 Rh         3.6398031284        0.2376794443        4.8187384119
  P         5.3867503571        0.6383251171        6.2840193056
  C         5.2297702551       -0.2983008388        7.8724014284
  C         4.8296865307       -1.7716105863        7.6679293490
  C         4.5356976333       -2.4316418792        9.0254808388
  C         5.7212526101       -2.3063110813        9.9932153296
  C         6.1884584090       -0.8507797721       10.1413530565
  C         6.4650223586       -0.1901642735        8.7802407581
  C         5.6711041119        2.4052763532        6.8017561199
  C         4.6439570026        2.8177045433        7.8806979766
  C         4.6165931510        4.3286927786        8.1665159963
  C         4.5378477218        5.1590562857        6.8826289324
  C         5.7014666192        4.8016685242        5.9556395296
  C         5.6252019818        3.3216896350        5.5605094191
  C         6.9988817774        0.0917391223        5.5178607570
  C         6.9700525854        0.2289980137        3.9870990288
  P         5.3075402468       -0.2370387541        3.2899874366
  C         5.4577988869       -2.0246822513        2.7855881392
  C         4.3630874410       -2.4032510180        1.7680911611
  C         4.3781674675       -3.9022866313        1.4508140103
  C         4.2402415445       -4.7491432320        2.7178710904
  C         5.3687100976       -4.4261568728        3.7020726201
  C         5.4050584590       -2.9258781575        4.0410666042
  C         5.1376294077        0.7075332180        1.7067482703
  C         4.8619008367        2.2084791546        1.9221629431
  C         4.4318237998        2.8403680526        0.5874779050
  C         5.4912756235        2.6361189749       -0.5073669278
  C         5.9019712898        1.1607139255       -0.6498005140
  C         6.2878916652        0.5280248561        0.7007778388
  C         1.8797990835        0.3151768827        3.4703846495
  C         1.9064528412       -0.9364056739        4.0914587771
  C         1.0717588115       -0.8120174779        5.3797476623
  C         1.9384912651        0.1175667270        6.2561005850
  C         1.9099138176        1.3693820239        5.6396397954
  C         1.0265032366        1.2236910970        4.3837070761
  C        -0.0129058525        0.1908880068        4.8998136418
  H         4.3854511090        0.2040925871        8.3730728846
  H         5.6428428494       -2.3129733082        7.1616495628
  H         3.9521829735       -1.8373009233        7.0069866819
  H         4.2725420987       -3.4890062515        8.8799095620
  H         3.6497407216       -1.9511687893        9.4655637805
  H         5.4441522217       -2.7137934632       10.9763574910
  H         6.5567350350       -2.9212997172        9.6322158239
  H         7.0969383321       -0.7992835472       10.7596026873
  H         5.4109190750       -0.2717553940       10.6641024157
  H         6.7653917194        0.8558504105        8.9250517650
  H         7.3126762430       -0.6913837170        8.2952645599
  H         6.6837248312        2.4576376735        7.2337842411
  H         4.8593349287        2.2828759957        8.8155685776
  H         3.6402178717        2.4949304858        7.5706972193
  H         5.5214667309        4.6168556642        8.7204241686
  H         3.7657997893        4.5473923259        8.8280344267
  H         4.5379695249        6.2297571979        7.1283906946
  H         3.5882478734        4.9659464059        6.3614283023
  H         6.6529822557        5.0007870164        6.4677842053
  H         5.6997178172        5.4233789967        5.0511668928
  H         6.4431872134        3.0671991151        4.8706901223
  H         4.6877032267        3.1382298404        5.0102050727
  H         7.8367046309        0.6550747826        5.9534095825
  H         7.1390651621       -0.9596950405        5.8064129845
  H         7.7640390766       -0.3660661480        3.5133151749
  H         7.1362462593        1.2752435909        3.6939795925
  H         6.4411689959       -2.1441821348        2.3023490769
  H         4.4830842501       -1.8285112644        0.8400074789
  H         3.3746779125       -2.1345186202        2.1636878489
  H         5.3195991684       -4.1552930649        0.9421829097
  H         3.5683417822       -4.1271281310        0.7454212572
  H         4.2404930388       -5.8166196352        2.4576412267
  H         3.2653304688       -4.5550783294        3.1893160424
  H         5.2471504268       -4.9953931633        4.6360449105
  H         6.3322092149       -4.7337015164        3.2702564158
  H         6.2680101143       -2.7174659796        4.6897378120
  H         4.5086269930       -2.6605402554        4.6246933964
  H         4.2254480025        0.2724069422        1.2652535436
  H         5.7731068393        2.7046793268        2.2888591284
  H         4.0898230949        2.3545014075        2.6929035551
  H         4.2270132962        3.9114899654        0.7235580855
  H         3.4821853791        2.3819994267        0.2728520558
  H         6.3793782961        3.2406471895       -0.2723017813
  H         5.1096752814        3.0128445023       -1.4678511557
  H         6.7432268569        1.0685672805       -1.3526038477
  H         5.0652403385        0.5885286383       -1.0814989677
  H         7.1873353454        1.0198389942        1.0921186288
  H         6.5442543946       -0.5299557410        0.5616721681
  H         2.1161248453        0.5357981203        2.4329180246
  H         2.1752049244       -1.8886159342        3.6441541649
  H         0.7549127889       -1.7518495104        5.8380354169
  H         2.2282607582       -0.1026865432        7.2792075417
  H         2.1827729175        2.3234149263        6.0810436051
  H         0.6652078905        2.1545623406        3.9394693553
  H        -0.6348326887        0.5751275041        5.7148598590
  H        -0.6417982681       -0.2156925059        4.1011605033
 Rh        14.7183876138       19.6360179522       14.9743294492
  P        12.9523662279       19.2047349692       13.5266641001
  C        13.1254037913       20.1883399484       11.9629537548
  C        13.5041232988       21.6603250610       12.2119956530
  C        13.8474834643       22.3547295521       10.8836993280
  C        12.6912500258       22.2526740108        9.8791430804
  C        12.2575409996       20.7943916726        9.6700893806
  C        11.9337340503       20.0875019232       10.9991949380
  C        12.6571915746       17.4556992065       12.9537158794
  C        13.6681193634       17.0369893394       11.8645726566
  C        13.5979816800       15.5338700373       11.5528424514
  C        13.7854265111       14.7056012673       12.8265679866
  C        12.6819642175       15.0372005116       13.8354288463
  C        12.6873758352       16.5318775153       14.1919728226
  C        11.3309156637       19.6886361277       14.3319676290
  C        11.4103249322       19.6743076923       15.8704104965
  P        13.0878976315       20.1703861149       16.5147620726
  C        12.9290465346       21.9705387197       16.9592434584
  C        13.9862609384       22.4292164345       17.9867346938
  C        13.9968583821       23.9575550230       18.1697450027
  C        14.0844947944       24.7139434603       16.8400354193
  C        12.9447410236       24.2953054002       15.9095554771
  C        13.0162068583       22.7864187403       15.6517401707
  C        13.3284516871       19.2273382282       18.0921665107
  C        13.5941952764       17.7355800262       17.8068105434
  C        14.0365675708       17.0198691515       19.0911232013
  C        12.9910316567       17.1740508923       20.2064241693
  C        12.6225854805       18.6481670200       20.4487539886
  C        12.2254569245       19.3835763577       19.1520004854
  C        16.4441053998       19.6312407330       16.3555001344
  C        16.4637770491       20.8236593681       15.6240092750
  C        17.3239160478       20.5586524210       14.3726828909
  C        16.4481404823       19.5779903506       13.5618316129
  C        16.4239855154       18.3873521374       14.2892868513
  C        17.2867249620       18.6202967550       15.5471811833
  C        18.3690063310       19.5749180168       14.9689287679
  H        13.9956260899       19.7059178561       11.4863152377
  H        12.6630438613       22.1839057473       12.6902905793
  H        14.3514070423       21.7181824793       12.9124755733
  H        14.1068025521       23.4068793255       11.0666226048
  H        14.7474759434       21.8842553577       10.4602392302
  H        12.9853982202       22.7011583461        8.9186454331
  H        11.8361042928       22.8397718008       10.2425931825
  H        11.3785562523       20.7450731528        9.0104963648
  H        13.0688048367       20.2470304706        9.1647392927
  H        11.6634267763       19.0412031791       10.8081325837
  H        11.0536488161       20.5555546719       11.4584949614
  H        11.6464012921       17.4295162281       12.5144981683
  H        13.4839532045       17.6106432182       10.9460243286
  H        14.6905887870       17.2869548772       12.1836904700
  H        12.6232058802       15.2922903608       11.1042205891
  H        14.3590063709       15.2821707184       10.8004025652
  H        13.7931401180       13.6323901450       12.5903436464
  H        14.7692594038       14.9240404287       13.2691336991
  H        11.7075082005       14.7494565680       13.4172595884
  H        12.8097459625       14.4611974350       14.7619402095
  H        11.8330929954       16.7636183722       14.8465681704
  H        13.5926342796       16.7581953414       14.7778580267
  H        10.5375446609       19.0117549488       13.9822423793
  H        11.0710022568       20.6912765987       13.9651726699
  H        10.6341098452       20.3135272762       16.3153579841
  H        11.2390133200       18.6571588813       16.2498910759
  H        11.9266229850       22.1105503766       17.3949710130
  H        13.7987257156       21.9535786243       18.9599512070
  H        14.9861739556       22.0976559352       17.6744445251
  H        13.0822214234       24.2666677249       18.6953397630
  H        14.8386580568       24.2327593989       18.8194352848
  H        14.0642066631       25.7959372847       17.0269710544
  H        15.0491523659       24.5149978509       16.3502875610
  H        12.9928417139       24.8282610997       14.9497693093
  H        11.9764788144       24.5501034657       16.3630108634
  H        12.2264942748       22.4754666660       14.9540443958
  H        13.9715536336       22.5497870460       15.1554306877
  H        14.2569174084       19.6605832317       18.5016260912
  H        12.6745087623       17.2651907164       17.4270449819
  H        14.3517190224       17.6290297200       17.0145102750
  H        14.2182950642       15.9563259389       18.8786572042
  H        14.9998259907       17.4383383722       19.4199539663
  H        12.0873226472       16.6085862707       19.9358937836
  H        13.3659415606       16.7251670043       21.1377525743
  H        11.7948054382       18.7135033368       21.1706179296
  H        13.4810639943       19.1662215250       20.9050519809
  H        11.2850645347       18.9662451533       18.7679469959
  H        12.0344940439       20.4425486518       19.3670556939
  H        16.1915080055       19.5159287173       17.4053839659
  H        16.2098634019       21.8178164572       15.9813563662
  H        17.6799382709       21.4425804546       13.8379908440
  H        16.1829129015       19.7115102187       12.5170152359
  H        16.1222178277       17.4056420807       13.9337376298
  H        17.6063691207       17.7237097203       16.0838839086
  H        19.0018162383       19.1025181650       14.2095830674
  H        18.9886508617       20.0359375197       15.7471063124
 Rh         5.9670371333       10.0631048419       14.9861514072
  P         4.1655470562        9.5906675463       13.6086619293
  C         3.7786506841        7.8437639182       13.0909976495
  C         3.6961402075        6.9097062989       14.3184188351
  C         3.6625469672        5.4259522920       13.9150004368
  C         4.8630356616        5.0741057246       13.0338582472
  C         4.7957976631        5.8908889077       11.7433062287
  C         4.8145144974        7.3967203937       12.0403084905
  C         2.5871837835       10.2093015761       14.3786695445
  C         2.6573476687       10.1148898640       15.9082396853
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  C         2.7328252672       18.2913647356       18.7690338864
  F         1.4089561046       18.0794118965       18.4736453029
  F         3.3595637053       17.0874788818       18.6314605232
  C         3.3437554729       19.3563101785       17.9125920923
  C         4.1840422682       19.0332985148       16.8419518262
  C         4.6925570779       20.0192065335       15.9727876443
  C         4.2725509425       21.3378406152       16.2203053942
  C         3.4399753749       21.6641144688       17.2992789587
  C         2.9728997969       20.6791865966       18.1652482611
  C         2.9237999319       23.0646018884       17.4348918880
  F         2.2998879622       23.2921471750       18.6242645523
  F         3.9023328603       24.0241098266       17.3052380914
  F         1.9925756569       23.2934906035       16.4317428333
  B         5.6125916884       19.6395503695       14.6704795233
  C         6.6539864048       18.4162270558       14.9680757454
  C         7.2714121643       18.2827993786       16.2242467280
  C         8.2427355128       17.3092902854       16.4682421933
  C         8.6396764019       16.4160544712       15.4728622031
  C         8.0501387157       16.5431405816       14.2153716586
  C         7.0898387137       17.5317748992       13.9651048443
  C         8.4234677119       15.5967316244       13.1144048654
  F         7.3129434849       15.0305099333       12.5391950366
  F         9.2158066060       14.5689921441       13.5620751474
  F         9.1081137255       16.2276718051       12.1007281415
  C         8.7833713083       17.1552306145       17.8521322307
  F         8.9100732963       18.3673947133       18.4839422844
  F        10.0142194134       16.5640565301       17.8927841538
  F         7.9539175383       16.3793895379       18.6302583056
  C         6.6302245254       20.8544449045       14.2668459770
  C         7.2085894925       21.7037183647       15.2292467214
  C         8.1644200127       22.6672950925       14.8888921346
  C         8.5957332446       22.8174437182       13.5676280373
  C         8.0408281147       21.9751472567       12.6044084583
  C         7.0844759081       21.0153333541       12.9477626877
  C         8.4046111778       22.1125628146       11.1579513255
  F         8.8235958925       20.9056984922       10.6311297908
  F         9.3805652720       23.0322469689       10.9267740046
  F         7.3249033324       22.5146969939       10.4082689990
  C         8.6820792683       23.5855808014       15.9562894174
  F         9.6017907754       24.4691334788       15.4764642920
  F         7.6876792603       24.3578477758       16.5045142865
  F         9.2705385464       22.8897180103       17.0027063482
  C         4.5435596360       19.2826320579       13.4795049494
  C         4.0533989237       17.9796550494       13.2693617623
  C         3.0844968831       17.6955147682       12.2960595013
  C         2.5617056666       18.7109992485       11.4949411648
  C         3.0194591604       20.0178765901       11.7014610234
  C         3.9807914598       20.2955243171       12.6768117144
  C         2.3995368319       21.1145773037       10.8859241529
  F         2.3720042129       20.7826563659        9.5414148648
  F         1.0902413066       21.3345097983       11.2600050516
  F         3.0364546113       22.3172597420       10.9978859546
  C         2.5090811400       16.3089603384       12.1876409317
  F         1.9324033494       16.0520367866       10.9844892336
  F         3.4284833250       15.3141895529       12.3965563385
  F         1.5225198609       16.1211225631       13.1305381288
  H         4.4399292802       17.9887309214       16.6737333014
  H         4.5948067268       22.1352068442       15.5523320108
  H         2.3174246412       20.9313536996       18.9951273264
  H         6.9901613072       18.9552641628       17.0334853059
  H         9.3704333960       15.6400618571       15.6766162223
  H         6.6699289656       17.6048481067       12.9631885143
  H         6.9041128623       21.6216078207       16.2718169209
  H         9.3242900652       23.5752324781       13.2964667341
  H         6.6809465306       20.3795281204       12.1611942446
  H         4.4313460445       17.1607982078       13.8803476151
  H         1.8112457121       18.4918952757       10.7389897478
  H         4.3005399401       21.3269123501       12.8128946166
  F        15.6186238157        1.2750002965       -0.2928457746
  C        15.6618033896        1.6681359002        1.0286644559
  F        16.9912875040        1.8961450574        1.3187247734
  F        15.0494930080        2.8842708718        1.1015403054
  C        15.0730473959        0.6118964350        1.9261267692
  C        14.2328292036        0.9254094237        3.0018551826
  C        13.7381643444       -0.0700667913        3.8734061454
  C        14.1809464428       -1.3818871418        3.6395640967
  C        15.0054262701       -1.7034284735        2.5574699190
  C        15.4513192893       -0.7147591182        1.6800968447
  C        15.4680373082       -3.1194584799        2.3842018957
  F        16.0485044388       -3.3176169631        1.1717355642
  F        14.4479487825       -4.0415558006        2.4967372789
  F        16.4091096230       -3.4512069174        3.3551465161
  B        12.7912748325        0.2698007404        5.1651720295
  C        11.7348914489        1.4791131124        4.8512958595
  C        11.1248846935        1.5891219193        3.5861290609
  C        10.1456114446        2.5506684362        3.3212136003
  C         9.7296922136        3.4506249843        4.3069193294
  C        10.3136589167        3.3497506172        5.5669212557
  C        11.2881352992        2.3771859137        5.8352265542
  C         9.9497374079        4.3105655307        6.6595740707
  F        11.0875841256        4.8791157735        7.1886528134
  F         9.1335698702        5.3320227453        6.2374339314
  F         9.3062054433        3.6813862396        7.6999018968
  C         9.6237422935        2.7177654897        1.9294016965
  F         9.4968560523        1.5331359862        1.2492291621
  F         8.4031853962        3.3405934089        1.9038702196
  F        10.4693208855        3.4746449200        1.1647142555
  C        11.7939927831       -0.9700145049        5.5557922440
  C        11.2579967719       -1.8493606624        4.5969593658
  C        10.2958887275       -2.8101665273        4.9284762471
  C         9.8222453854       -2.9360177603        6.2375654367
  C        10.3419011294       -2.0720181507        7.2000888561
  C        11.3035549599       -1.1112619957        6.8653455109
  C         9.9454751572       -2.1881025250        8.6401287660
  F         9.5857294380       -0.9741202692        9.1688637999
  F         8.9071692082       -3.0504305829        8.8704264008
  F        11.0137719539       -2.6145661427        9.3932446412
  C         9.7527931512       -3.6990702379        3.8502516790
  F         8.8178878547       -4.5675806736        4.3254034884
  F        10.7199246074       -4.4530937416        3.2282663632
  F         9.1415694118       -2.9678234564        2.8551287468
  C        13.8532643603        0.6123591312        6.3627240571
  C        14.3438101919        1.9110191969        6.5764574344
  C        15.3241565368        2.1865808718        7.5398180181
  C        15.8633117759        1.1729257765        8.3285059224
  C        15.4105299268       -0.1324755539        8.1091590053
  C        14.4322364790       -0.4050680444        7.1484489594
  C        16.0233461766       -1.2298462385        8.9252599866
  F        16.0416567405       -0.8764426675       10.2640126823
  F        17.3294222853       -1.4917558521        8.5811842092
  F        15.3722170345       -2.4177327613        8.8051367988
  C        15.8727771026        3.5763621971        7.6262533083
  F        16.4781775885        3.8589627635        8.8115592966
  F        14.9133289699        4.5293278279        7.4088679364
  F        16.8277919364        3.7873559518        6.6614933737
  H        13.9597603964        1.9664206002        3.1680416135
  H        13.8743093984       -2.1795548673        4.3155781924
  H        16.0894897436       -0.9665847923        0.8375949715
  H        11.4205078512        0.9097180347        2.7877058330
  H         8.9889276770        4.2144200305        4.0913956122
  H        11.7123957728        2.3321925425        6.8373893147
  H        11.5930102055       -1.7884385589        3.5621828548
  H         9.0848246459       -3.6870058161        6.5011002210
  H        11.6765626666       -0.4543110062        7.6497257554
  H        13.9625114680        2.7366412306        5.9787435349
  H        16.6159338587        1.3902057810        9.0831608783
  H        14.1142478279       -1.4367517271        7.0081053436
  H        10.8051440413       11.7698173658        4.7600850734
  H        11.6117175200       10.0717451814        3.1393168534
     646
 i =      102, E =         0.0057944712
 Rh         3.6400727037        0.2378186605        4.8188813904
  P         5.3868598745        0.6383254739        6.2842344058
  C         5.2297084139       -0.2987569580        7.8723484059
  C         4.8301001567       -1.7722106427        7.6676657681
  C         4.5356271763       -2.4321391923        9.0251541742
  C         5.7211616823       -2.3071018199        9.9929383028
  C         6.1882989058       -0.8515788747       10.1413820501
  C         6.4647684747       -0.1905430244        8.7804574036
  C         5.6709944545        2.4053212063        6.8020913966
  C         4.6434676663        2.8179488391        7.8805591363
  C         4.6172304530        4.3288671005        8.1667090442
  C         4.5381334600        5.1593830616        6.8829423876
  C         5.7010557601        4.8018130595        5.9551446991
  C         5.6254421379        3.3215976961        5.5606853036
  C         6.9990106449        0.0918269560        5.5180746807
  C         6.9702964420        0.2290484083        3.9872708835
  P         5.3077309927       -0.2370270299        3.2902266865
  C         5.4584760465       -2.0246314981        2.7859239462
  C         4.3642232579       -2.4031264031        1.7678858973
  C         4.3783385714       -3.9023362917        1.4512407286
  C         4.2405349126       -4.7488928801        2.7185050894
  C         5.3693578409       -4.4259890009        3.7023153569
  C         5.4054825996       -2.9257676273        4.0414245433
  C         5.1369351157        0.7072766481        1.7069188134
  C         4.8609501704        2.2081833188        1.9223188863
  C         4.4317089661        2.8404902451        0.5875532886
  C         5.4917277696        2.6363675461       -0.5067496734
  C         5.9015678407        1.1607964371       -0.6496842789
  C         6.2869033373        0.5273780462        0.7007135280
  C         1.8800577051        0.3154043896        3.4703499462
  C         1.9066613657       -0.9363350694        4.0918013269
  C         1.0720440493       -0.8113930313        5.3801476119
  C         1.9389176881        0.1184109169        6.2561543630
  C         1.9104318009        1.3698319128        5.6394999140
  C         1.0269431009        1.2240869724        4.3836782177
  C        -0.0125562262        0.1915034339        4.9000466364
  H         4.3851191727        0.2032882305        8.3729445271
  H         5.6437514842       -2.3133892024        7.1619925192
  H         3.9530228374       -1.8382752860        7.0061999463
  H         4.2720992813       -3.4894114991        8.8796316602
  H         3.6498026916       -1.9513169252        9.4651308071
  H         5.4441035897       -2.7148164668       10.9760031328
  H         6.5566134641       -2.9220275033        9.6317622907
  H         7.0968165954       -0.8001572716       10.7595895827
  H         5.4107332439       -0.2727786606       10.6643325341
  H         6.7648239812        0.8555181194        8.9255516838
  H         7.3125909818       -0.6914095419        8.2954044599
  H         6.6834222324        2.4577502533        7.2345708397
  H         4.8577839074        2.2826038642        8.8153736140
  H         3.6396574084        2.4961377723        7.5697749254
  H         5.5226530395        4.6163446187        8.7200901241
  H         3.7669895495        4.5480606457        8.8287751640
  H         4.5388538998        6.2300597489        7.1288157384
  H         3.5880794116        4.9667497454        6.3623597194
  H         6.6529634514        5.0019155002        6.4661917760
  H         5.6979711681        5.4229181206        5.0502241427
  H         6.4439148328        3.0672533125        4.8713875999
  H         4.6883228609        3.1376077180        5.0099044017
  H         7.8368590229        0.6550659868        5.9536956172
  H         7.1390806061       -0.9596108290        5.8066187251
  H         7.7641519862       -0.3663136957        3.5136704816
  H         7.1368254865        1.2752089511        3.6940641926
  H         6.4420853464       -2.1439771561        2.3031735109
  H         4.4855493853       -1.8290649482        0.8395650344
  H         3.3757280390       -2.1332401359        2.1624749099
  H         5.3194044723       -4.1560158849        0.9423021189
  H         3.5681100341       -4.1269120660        0.7462264634
  H         4.2405013490       -5.8164061732        2.4583974732
  H         3.2658273254       -4.5545889806        3.1902659577
  H         5.2482918659       -4.9953861703        4.6362410971
  H         6.3327379894       -4.7332641561        3.2700614389
  H         6.2682678668       -2.7172448899        4.6902743812
  H         4.5089115562       -2.6605678142        4.6248668034
  H         4.2246217229        0.2718999064        1.2659269077
  H         5.7717760537        2.7044471683        2.2898602009
  H         4.0882532693        2.3538643081        2.6925089700
  H         4.2270467728        3.9116122799        0.7238865832
  H         3.4821634043        2.3824378461        0.2721933938
  H         6.3800399837        3.2402406238       -0.2707744329
  H         5.1109468431        3.0138473492       -1.4672764209
  H         6.7429367718        1.0683645828       -1.3523145199
  H         5.0645545902        0.5893145271       -1.0817911777
  H         7.1868539388        1.0181814387        1.0921754008
  H         6.5422165287       -0.5307945738        0.5612287301
  H         2.1162822787        0.5356673370        2.4330027773
  H         2.1752761502       -1.8884150566        3.6446243704
  H         0.7551622125       -1.7510807363        5.8387112172
  H         2.2288821759       -0.1017904591        7.2793984897
  H         2.1836089483        2.3241499369        6.0805438620
  H         0.6657286520        2.1549488264        3.9392590272
  H        -0.6344222800        0.5759687390        5.7150029173
  H        -0.6414970728       -0.2151988637        4.1014686606
 Rh        14.7183792724       19.6360505337       14.9744159466
  P        12.9526834473       19.2048894579       13.5266720681
  C        13.1257870683       20.1884085277       11.9629081371
  C        13.5042895522       21.6604821472       12.2120379527
  C        13.8475133588       22.3550072744       10.8837692006
  C        12.6911786681       22.2529639944        9.8793093429
  C        12.2572111517       20.7947357354        9.6703046047
  C        11.9338712755       20.0876900708       10.9994341901
  C        12.6576794004       17.4556054682       12.9543174602
  C        13.6687310179       17.0369812799       11.8652715823
  C        13.5985021965       15.5339620586       11.5531163297
  C        13.7852404231       14.7051363046       12.8265931483
  C        12.6819519177       15.0370997594       13.8355295031
  C        12.6881461740       16.5316788585       14.1925090265
  C        11.3312533326       19.6895401975       14.3314005412
  C        11.4101406143       19.6739893875       15.8698359415
  P        13.0875898640       20.1702283213       16.5144189537
  C        12.9283077766       21.9702857132       16.9591380111
  C        13.9862058661       22.4284197584       17.9861216320
  C        13.9964987213       23.9565420719       18.1701378917
  C        14.0847995978       24.7132905975       16.8407005032
  C        12.9449613121       24.2956388898       15.9098560051
  C        13.0146185219       22.7866466554       15.6518381796
  C        13.3285085409       19.2273810734       18.0918659095
  C        13.5947034392       17.7356441138       17.8067940963
  C        14.0363697719       17.0199842377       19.0913873895
  C        12.9903256572       17.1743605753       20.2061804070
  C        12.6226700609       18.6486471482       20.4485286723
  C        12.2255432510       19.3838200588       19.1516780028
  C        16.4444637145       19.6309808013       16.3553051137
  C        16.4639644843       20.8233032213       15.6242308732
  C        17.3237568388       20.5587133810       14.3725430910
  C        16.4477728770       19.5781983904       13.5616819035
  C        16.4237917464       18.3873529543       14.2889868240
  C        17.2868390702       18.6200807615       15.5466954357
  C        18.3689879136       19.5748311820       14.9683471594
  H        13.9959833018       19.7061482223       11.4860898923
  H        12.6630650697       22.1838582830       12.6903018061
  H        14.3515122977       21.7185321249       12.9125489008
  H        14.1066486542       23.4071786996       11.0667813454
  H        14.7475463113       21.8847531427       10.4601953017
  H        12.9852968489       22.7013417755        8.9187726664
  H        11.8361539981       22.8402117538       10.2427909537
  H        11.3779094962       20.7456478671        9.0111327231
  H        13.0681545907       20.2473347643        9.1645057670
  H        11.6634625377       19.0414096905       10.8083703414
  H        11.0539734316       20.5557295820       11.4591144947
  H        11.6468620342       17.4291138850       12.5151719162
  H        13.4848258559       17.6108738630       10.9468240169
  H        14.6911402450       17.2868000520       12.1846825365
  H        12.6238972481       15.2927159369       11.1039724568
  H        14.3598289885       15.2823919686       10.8009457193
  H        13.7921629224       13.6320269313       12.5898978380
  H        14.7691951708       14.9226178260       13.2693298794
  H        11.7073402913       14.7500664399       13.4172537566
  H        12.8093565229       14.4606832082       14.7618236630
  H        11.8342650573       16.7635282679       14.8475778285
  H        13.5937536730       16.7575489507       14.7780262939
  H        10.5372486132       19.0139002231       13.9806980699
  H        11.0727593288       20.6928164239       13.9653394331
  H        10.6336817375       20.3127462616       16.3150449048
  H        11.2389682427       18.6565088515       16.2485123748
  H        11.9261625742       22.1100014329       17.3956296771
  H        13.7996710298       21.9518760405       18.9590771992
  H        14.9859300956       22.0974197279       17.6726291363
  H        13.0815194004       24.2652266446       18.6954069826
  H        14.8379341318       24.2314928181       18.8203998689
  H        14.0650817389       25.7952664427       17.0278939768
  H        15.0494809852       24.5138853384       16.3511977995
  H        12.9941376016       24.8284241498       14.9500195978
  H        11.9768185947       24.5516805208       16.3628542331
  H        12.2235781889       22.4768066783       14.9551285387
  H        13.9690328237       22.5491205313       15.1541760157
  H        14.2569352821       19.6609312686       18.5011014968
  H        12.6754208908       17.2650184816       17.4263682992
  H        14.3528169689       17.6292673889       17.0150332794
  H        14.2180999444       15.9564257616       18.8790528124
  H        14.9994897388       17.4383601114       19.4207428727
  H        12.0863992811       16.6095780845       19.9349655093
  H        13.3644280472       16.7249951889       21.1375885273
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 Rh        12.6614162624        9.8001679516        4.6972341571
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  C         5.7246318081       10.4809134599        2.9494065321
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  F         0.1933511675        5.0737644043        4.3299548840
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  F        11.2164953428        9.0175267040       20.2230374900
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  C        11.4343197707       11.0388132279       18.1983730371
  C        11.8872140235       12.0125986941       17.3082699283
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  C        13.2456712273       10.3744795097       16.0786566588
  C        12.7693093888        9.4039660608       16.9860865137
  B        14.1570899119        9.9817787709       14.7700541430
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  C        15.7674044499       12.0534567327       15.2260717375
  C        16.7028562013       13.0205590988       14.8376490603
  C        17.0862685492       13.1519352145       13.4979400602
  C        16.5054438080       12.2883669207       12.5613999698
  C        15.5655678494       11.3308204088       12.9597004376
  C        16.8419820648       12.3978580229       11.0970932580
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  F        15.7542386031       12.8160545197       10.3458219418
  F        17.2355078998       11.1910221405       10.5614676477
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  F        18.1483063463       14.8385282038       15.4058956182
  F        17.8387056456       13.2542007410       16.9339958980
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  C        12.4469158904       10.6738936822       12.8463972623
  C        11.4643138675       10.4128505640       11.8819359936
  C        11.0378696621        9.1080076064       11.6343189999
  C        11.6026836214        8.0754686289       12.3851063242
  C        12.5831762080        8.3392753466       13.3474387105
  C        11.0274018707        6.6991090298       12.2312703963
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  F        11.9229345243        5.6911431792       12.4653321796
  F        10.0062026012        6.4974701997       13.1314635844
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  F        10.6241388824       12.6600842074       11.7438959781
  F        11.7665429491       11.8875175792       10.0458623186
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  C        15.8586127774        8.5678096276       16.2868206915
  C        16.8096916119        7.5579493395       16.4645144794
  C        17.1142384985        6.6662185360       15.4326199509
  C        16.4831561613        6.8314747685       14.2073030558
  C        15.5625188775        7.8672020813       14.0132860079
  C        17.4843062395        7.2666800260       17.7708685621
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  F        16.7936787880        6.3142921742       18.4808688561
  F        18.7594370659        6.7891797270       17.5409454888
  C        11.3915967982       13.4254868015       17.4298884128
  F        10.7858714334       13.6683197472       18.6257583389
  F        10.4811370135       13.7342033140       16.4318104812
  F        12.4021488662       14.3402119899       17.3058094071
  F        17.6308203473        4.8721924733       13.4877297249
  F        17.3767672672        6.5268311476       12.0283378881
  F        15.6564385327        5.2695365013       12.6112462036
  C        16.7878234493        5.8810658846       13.0911016853
  H        10.7380915309       11.2938134939       18.9923466767
  H        13.0859227655       12.4715054456       15.5879201644
  H        13.0839096020        8.3685698507       16.8719889102
  H        15.5015522929       11.9802108532       16.2796786816
  H        17.7982050054       13.9129991276       13.1934913608
  H        15.1326574259       10.6825744283       12.1995016054
  H        12.7468417509       11.7077544001       13.0173439820
  H        10.2675391317        8.9009911681       10.8977669875
  H        12.9864051317        7.5055756813       13.9191454153
  H        15.6325943649        9.2322464081       17.1202112198
  H        17.8212227407        5.8596720797       15.5881073799
  H        15.1173061577        7.9853178402       13.0263543120
  F         2.7316446440       18.6323670215       20.1004133974
  C         2.7326738692       18.2917602968       18.7686440039
  F         1.4091316340       18.0791033518       18.4741010278
  F         3.3589752880       17.0873615347       18.6320937556
  C         3.3438967039       19.3562624547       17.9120308223
  C         4.1839241725       19.0331329317       16.8419362915
  C         4.6923973923       20.0189183238       15.9731745725
  C         4.2726004604       21.3378502202       16.2207564127
  C         3.4399898486       21.6640740161       17.2991771015
  C         2.9722999431       20.6791078570       18.1652386012
  C         2.9237656934       23.0645421849       17.4348469418
  F         2.2999789058       23.2922319913       18.6241979716
  F         3.9022789131       24.0241366633       17.3053251998
  F         1.9925961012       23.2935373547       16.4318201565
  B         5.6126217524       19.6394470819       14.6704000405
  C         6.6537856613       18.4159083855       14.9681570424
  C         7.2710304828       18.2827481578       16.2243576915
  C         8.2429415529       17.3090447561       16.4682753921
  C         8.6397759008       16.4163266846       15.4726597354
  C         8.0502229860       16.5430344186       14.2155397797
  C         7.0894808003       17.5315609171       13.9652435002
  C         8.4234594728       15.5967113153       13.1143836396
  F         7.3129653369       15.0305337508       12.5391363660
  F         9.2158360475       14.5689891229       13.5620778984
  F         9.1080945593       16.2276566700       12.1007145338
  C         8.7833507068       17.1552483563       17.8520854069
  F         8.9101282823       18.3673991430       18.4839543607
  F        10.0142234091       16.5640424486       17.8927635101
  F         7.9539544839       16.3793602806       18.6302549431
  C         6.6304292184       20.8542916166       14.2668233246
  C         7.2087896523       21.7033822787       15.2292946087
  C         8.1644029918       22.6672550724       14.8889519310
  C         8.5955724578       22.8177229585       13.5675707919
  C         8.0407216302       21.9751203666       12.6043159748
  C         7.0844441153       21.0151046348       12.9477782937
  C         8.4045748463       22.1125680776       11.1579970243
  F         8.8235837606       20.9057231665       10.6311336538
  F         9.3805409771       23.0322412963       10.9267107600
  F         7.3249175704       22.5146946941       10.4082365660
  C         8.6820798046       23.5855493417       15.9562767459
  F         9.6017868366       24.4691286868       15.4764532587
  F         7.6876722089       24.3578464225       16.5045081574
  F         9.2705539611       22.8896968343       17.0027085798
  C         4.5434818218       19.2826478820       13.4795881800
  C         4.0533575303       17.9796542225       13.2693792316
  C         3.0843699766       17.6954473524       12.2960663933
  C         2.5614299010       18.7110968837       11.4949545612
  C         3.0193792711       20.0178591782       11.7015888497
  C         3.9806433646       20.2955196018       12.6768539142
  C         2.3994709397       21.1145353773       10.8859751646
  F         2.3720497803       20.7827134868        9.5414790130
  F         1.0901762105       21.3345406960       11.2600394306
  F         3.0364495247       22.3172808607       10.9978069464
  C         2.5090648012       16.3089753016       12.1876686976
  F         1.9324293207       16.0520405443       10.9845132031
  F         3.4284772939       15.3142112500       12.3965188073
  F         1.5225210514       16.1211127707       13.1305190308
  H         4.4397635803       17.9890836776       16.6736873234
  H         4.5955043121       22.1356424786       15.5525555333
  H         2.3167234876       20.9312627763       18.9944588590
  H         6.9897691805       18.9548494534       17.0336089525
  H         9.3710211879       15.6404805259       15.6764248861
  H         6.6693616110       17.6043142425       12.9633708155
  H         6.9045966172       21.6210637750       16.2719545729
  H         9.3236664993       23.5756270214       13.2963633306
  H         6.6810646244       20.3793917885       12.1612374906
  H         4.4313239680       17.1607576648       13.8802981790
  H         1.8109545493       18.4920138297       10.7393534866
  H         4.3004060965       21.3269695853       12.8130491486
  F        15.6184423882        1.2751805677       -0.2928824507
  C        15.6618625998        1.6681541553        1.0286824102
  F        16.9913592228        1.8961224543        1.3186802038
  F        15.0494483477        2.8842256708        1.1013095629
  C        15.0730338312        0.6118625464        1.9261905840
  C        14.2324976012        0.9253207192        3.0014464968
  C        13.7377431060       -0.0701320621        3.8729481052
  C        14.1803849850       -1.3819914823        3.6391993704
  C        15.0054373431       -1.7034422620        2.5574360489
  C        15.4518434280       -0.7146023228        1.6803643373
  C        15.4679914800       -3.1193853618        2.3841314327
  F        16.0485100137       -3.3176372063        1.1717284016
  F        14.4479563781       -4.0415542003        2.4967149406
  F        16.4091448378       -3.4512535888        3.3551181166
  B        12.7908194302        0.2696498131        5.1647781321
  C        11.7349302141        1.4791202475        4.8509963182
  C        11.1248582843        1.5896104564        3.5859169227
  C        10.1456403850        2.5508496642        3.3211162109
  C         9.7297659226        3.4510488638        4.3069991711
  C        10.3145421949        3.3498475999        5.5667688159
  C        11.2883971307        2.3771723867        5.8349687581
  C         9.9523796784        4.3105893412        6.6596716538
  F        11.0914235818        4.8775211064        7.1880714368
  F         9.1353569820        5.3319243706        6.2379993914
  F         9.3069981136        3.6817852210        7.6997503676
  C         9.6236641281        2.7178966523        1.9293799233
  F         9.4969577809        1.5331165173        1.2492460021
  F         8.4031593490        3.3407234485        1.9038720651
  F        10.4693121826        3.4746879483        1.1646895374
  C        11.7934014833       -0.9696775821        5.5556014308
  C        11.2571761947       -1.8488581740        4.5966365974
  C        10.2955704799       -2.8100023584        4.9284147667
  C         9.8222910382       -2.9360437436        6.2375019397
  C        10.3418585336       -2.0718981347        7.2000071902
  C        11.3032463345       -1.1110937430        6.8651666650
  C         9.9454883884       -2.1880953950        8.6400898048
  F         9.5856959687       -0.9741446225        9.1688592851
  F         8.9072013227       -3.0504007045        8.8704350262
  F        11.0137747314       -2.6145636200        9.3932062399
  C         9.7527042853       -3.6990518251        3.8501901809
  F         8.8178858359       -4.5675701877        4.3253915054
  F        10.7199199177       -4.4530587931        3.2282741138
  F         9.1415482019       -2.9678197281        2.8550712307
  C        13.8527378861        0.6121511135        6.3622370257
  C        14.3436338750        1.9105238621        6.5757672834
  C        15.3241908966        2.1865143889        7.5378547385
  C        15.8637075718        1.1729890691        8.3274500426
  C        15.4102707591       -0.1325186105        8.1086790733
  C        14.4319428355       -0.4053400237        7.1483904211
  C        16.0232911610       -1.2297125850        8.9251224219
  F        16.0416291880       -0.8764051883       10.2639172421
  F        17.3294092114       -1.4917409470        8.5811603474
  F        15.3722427484       -2.4176546735        8.8051057958
  C        15.8733318353        3.5764113494        7.6257326336
  F        16.4769921191        3.8585183914        8.8133037648
  F        14.9135794478        4.5291759317        7.4086640871
  F        16.8281349203        3.7873991765        6.6607016229
  H        13.9590267131        1.9663751132        3.1674129918
  H        13.8732473223       -2.1796960171        4.3148203106
  H        16.0906465108       -0.9663973920        0.8384156479
  H        11.4206940504        0.9102867178        2.7872523070
  H         8.9890488471        4.2147854727        4.0914845026
  H        11.7125658826        2.3322348651        6.8370832771
  H        11.5917373826       -1.7873491211        3.5617635705
  H         9.0850972701       -3.6872508850        6.5011751423
  H        11.6763934147       -0.4540757719        7.6495598950
  H        13.9617728981        2.7364259033        5.9778831378
  H        16.6163758227        1.3904836403        9.0814221829
  H        14.1137584508       -1.4368959625        7.0082892245
  H        10.8050654714       11.7698994529        4.7584873235
  H        11.6109712747       10.0709841301        3.1387019155
     646
 i =      103, E =         0.0005430433
 Rh         3.6402634457        0.2378921863        4.8189560875
  P         5.3869431275        0.6383231199        6.2843604021
  C         5.2296793448       -0.2990648922        7.8723486335
  C         4.8303736567       -1.7725844523        7.6674823019
  C         4.5356048799       -2.4324864338        9.0249419010
  C         5.7211005653       -2.3076296072        9.9927515023
  C         6.1882121075       -0.8521198972       10.1414131268
  C         6.4646051549       -0.1908110548        8.7805787528
  C         5.6709403134        2.4053452456        6.8023300715
  C         4.6431337539        2.8181225316        7.8804103055
  C         4.6176408657        4.3289978140        8.1668889236
  C         4.5382832862        5.1594876344        6.8831125231
  C         5.7008039327        4.8019598552        5.9547849510
  C         5.6255393951        3.3215183821        5.5608245695
  C         6.9990992787        0.0919043917        5.5182086537
  C         6.9704475992        0.2290968177        3.9873981754
  P         5.3078512173       -0.2370311506        3.2903940917
  C         5.4588917479       -2.0245922382        2.7861523124
  C         4.3650150565       -2.4030807308        1.7677668905
  C         4.3783943762       -3.9023409788        1.4515279334
  C         4.2407838201       -4.7487925799        2.7189038869
  C         5.3697452328       -4.4258781406        3.7025153080
  C         5.4058295993       -2.9256955213        4.0416495142
  C         5.1364815204        0.7071096344        1.7070201479
  C         4.8603274765        2.2079748190        1.9224211862
  C         4.4316461754        2.8405728163        0.5876120562
  C         5.4920004045        2.6365383029       -0.5063645611
  C         5.9013044915        1.1608457549       -0.6496002232
  C         6.2862381641        0.5269823292        0.7006742941
  C         1.8802551190        0.3154182687        3.4703854577
  C         1.9067528986       -0.9360499555        4.0920643738
  C         1.0722804547       -0.8109660152        5.3804063305
  C         1.9391368585        0.1188188823        6.2561464118
  C         1.9108256129        1.3703978570        5.6394457290
  C         1.0271928916        1.2243398463        4.3836339161
  C        -0.0123037508        0.1919268517        4.9002629611
  H         4.3849119385        0.2027517563        8.3728594658
  H         5.6443656633       -2.3136717854        7.1622086514
  H         3.9535801931       -1.8389169078        7.0056790367
  H         4.2718192423       -3.4896891371        8.8794383262
  H         3.6498362771       -1.9514218260        9.4648466822
  H         5.4440767850       -2.7155022865       10.9757650195
  H         6.5565438747       -2.9225160694        9.6314583272
  H         7.0967365843       -0.8007461336       10.7595795443
  H         5.4106123605       -0.2734606533       10.6644930498
  H         6.7644575047        0.8553059629        8.9258945928
  H         7.3125384509       -0.6914205520        8.2955086058
  H         6.6832230225        2.4578228439        7.2350874081
  H         4.8567712330        2.2824078015        8.8152770357
  H         3.6392976625        2.4969342808        7.5691773397
  H         5.5234438069        4.6159980268        8.7198637710
  H         3.7678027862        4.5484939285        8.8292603988
  H         4.5394503111        6.2303134231        7.1291192443
  H         3.5880010524        4.9672732232        6.3629993933
  H         6.6529566583        5.0026495707        6.4651375982
  H         5.6968211540        5.4225865739        5.0496290626
  H         6.4444135662        3.0672803988        4.8718308659
  H         4.6887462628        3.1371943314        5.0097191118
  H         7.8369630502        0.6550620205        5.9538810483
  H         7.1391031465       -0.9595680233        5.8067556350
  H         7.7642402071       -0.3664771760        3.5138954997
  H         7.1372035645        1.2751855963        3.6941213311
  H         6.4427116250       -2.1438472073        2.3037092041
  H         4.4871688046       -1.8294283897        0.8392627960
  H         3.3764083349       -2.1324040687        2.1616853354
  H         5.3193146582       -4.1565089399        0.9423731422
  H         3.5679733899       -4.1267721360        0.7467683458
  H         4.2405059140       -5.8162357498        2.4589124256
  H         3.2661341343       -4.5542501657        3.1909117736
  H         5.2490600596       -4.9953763516        4.6363597935
  H         6.3331201857       -4.7329846839        3.2699156717
  H         6.2684292070       -2.7171028042        4.6906199209
  H         4.5090802060       -2.6605837787        4.6249941556
  H         4.2240830780        0.2715617570        1.2663767072
  H         5.7708965603        2.7042906539        2.2905226613
  H         4.0872154820        2.3534379344        2.6922604455
  H         4.2270607480        3.9116865233        0.7241104214
  H         3.4821439564        2.3827199249        0.2717631486
  H         6.3804834403        3.2399735775       -0.2697497587
  H         5.1117986168        3.0145094652       -1.4668658768
  H         6.7427338183        1.0682319688       -1.3521255594
  H         5.0640985330        0.5898404625       -1.0819771225
  H         7.1865359280        1.0170858229        1.0922073656
  H         6.5408811622       -0.5313677286        0.5609309350
  H         2.1163916427        0.5355820996        2.4330458467
  H         2.1753580423       -1.8883934513        3.6448901347
  H         0.7553180561       -1.7505993427        5.8391766749
  H         2.2293086309       -0.1012019789        7.2795887052
  H         2.1841272146        2.3245205997        6.0801641494
  H         0.6660860694        2.1551796387        3.9391358765
  H        -0.6341335387        0.5765108595        5.7150839392
  H        -0.6413220648       -0.2148911600        4.1016508112
 Rh        14.7183852526       19.6360669769       14.9744572954
  P        12.9528604803       19.2049829101       13.5266616736
  C        13.1260170888       20.1884967418       11.9628938505
  C        13.5043970502       21.6605487438       12.2120458776
  C        13.8474737999       22.3552007798       10.8838274374
  C        12.6911386010       22.2531253662        9.8794428231
  C        12.2569693339       20.7949983264        9.6704672823
  C        11.9339786330       20.0877579340       10.9995823416
  C        12.6580220241       17.4555439500       12.9547348132
  C        13.6690899794       17.0369879122       11.8656905884
  C        13.5988881607       15.5340263966       11.5533227379
  C        13.7850702979       14.7048148542       12.8265794954
  C        12.6819901506       15.0370309106       13.8356293989
  C        12.6886103724       16.5315560457       14.1928444134
  C        11.3314712843       19.6901099050       14.3310367837
  C        11.4100192821       19.6737697563       15.8694592469
  P        13.0873549778       20.1701369557       16.5142165952
  C        12.9278418737       21.9701106890       16.9590620754
  C        13.9861156238       22.4278798548       17.9857566864
  C        13.9963127718       23.9558614623       18.1703874348
  C        14.0849437216       24.7129039159       16.8411832526
  C        12.9451450117       24.2958446895       15.9100309486
  C        13.0135231244       22.7868015536       15.6519222714
  C        13.3285378864       19.2274037205       18.0916663765
  C        13.5950376615       17.7357008384       17.8067883989
  C        14.0362249755       17.0200477046       19.0915678940
  C        12.9898750552       17.1745823802       20.2060257174
  C        12.6226994274       18.6489530111       20.4483727755
  C        12.2256184369       19.3839942724       19.1514725144
  C        16.4446429995       19.6307384848       16.3553810484
  C        16.4640909400       20.8232044839       15.6243223553
  C        17.3236657388       20.5588492482       14.3724077389
  C        16.4475363008       19.5783218321       13.5616120827
  C        16.4236379002       18.3873775424       14.2887355529
  C        17.2869767297       18.6198697020       15.5464181701
  C        18.3689705588       19.5747770097       14.9679493833
  H        13.9962254379       19.7062924395       11.4859282790
  H        12.6630634821       22.1838364923       12.6903260083
  H        14.3515894642       21.7187611866       12.9126036747
  H        14.1065465004       23.4073806265       11.0668869043
  H        14.7476041893       21.8850747203       10.4601592851
  H        12.9852256938       22.7014732408        8.9188487904
  H        11.8361607960       22.8405102459       10.2429356657
  H        11.3774633780       20.7460272805        9.0115499244
  H        13.0677311911       20.2475283404        9.1643458424
  H        11.6634803791       19.0415676095       10.8085313357
  H        11.0541535930       20.5558569036       11.4595373041
  H        11.6471554962       17.4288484021       12.5156108902
  H        13.4854100522       17.6110160541       10.9473709084
  H        14.6915297601       17.2867008185       12.1853500977
  H        12.6243244837       15.2929930701       11.1037967787
  H        14.3603670694       15.2825373959       10.8013053392
  H        13.7915115629       13.6317942512       12.5896055786
  H        14.7691728983       14.9216850323       13.2694713123
  H        11.7071958579       14.7504661850       13.4172375875
  H        12.8090923894       14.4603534394       14.7617344224
  H        11.8350510697       16.7634712426       14.8482428805
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 Rh         5.9661523753       10.0628695283       14.9861597318
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 Rh        12.6613311848        9.8003794027        4.6972299334
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  C        13.1875540185       12.3027144540        7.4502653385
  C        15.9686997287        9.6460852960        5.4410223152
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  F         7.3491157456       10.8243705787       -0.2348883739
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  C         7.0121083661        8.8499501677        1.6789338602
  C         6.4467196988        7.8477238190        2.4602867033
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  C         5.1486308876        9.4821806777        3.7656699118
  C         5.7246919624       10.4808179197        2.9498412692
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  C         2.5793473642        7.8571227661        4.6580248679
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  F         2.6868211819        7.1597264241        9.5335875812
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  F         0.1940180555        5.0743502413        4.3298967997
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  F         7.4986202305        5.8847191380        3.2978837838
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  F        11.2165435955        9.0174812234       20.2229777009
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  C        11.4344821142       11.0391091654       18.1983915252
  C        11.8872722056       12.0125497417       17.3083588111
  C        12.7683669090       11.6833021563       16.2695384890
  C        13.2455403287       10.3744525733       16.0786968171
  C        12.7692169631        9.4040469059       16.9856835231
  B        14.1568665706        9.9819202618       14.7699994209
  C        15.1616249451       11.1872559572       14.3005722825
  C        15.7672276326       12.0536613116       15.2259542307
  C        16.7027312473       13.0205594206       14.8375770994
  C        17.0862477983       13.1519408923       13.4980522383
  C        16.5055518496       12.2883681663       12.5611727227
  C        15.5656546802       11.3306899386       12.9597375745
  C        16.8418345969       12.3977765540       11.0971139052
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  F        15.7542962756       12.8160436503       10.3458961305
  F        17.2355193384       11.1910324954       10.5614975086
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  F        18.1483405186       14.8385841480       15.4058697032
  F        17.8387143103       13.2541689475       16.9339884055
  C        13.0512959394        9.6441731070       13.5972030779
  C        12.4471272863       10.6740930335       12.8465743474
  C        11.4641545146       10.4129631033       11.8815767479
  C        11.0380722735        9.1076725431       11.6341047391
  C        11.6025980881        8.0755006941       12.3850665508
  C        12.5826467878        8.3394014595       13.3474549787
  C        11.0274542976        6.6991912664       12.2312646800
  F        10.4971567660        6.4947735440       10.9941234969
  F        11.9228921704        5.6911680228       12.4653462651
  F        10.0062288172        6.4974804887       13.1314303249
  C        10.9012491781       11.5265540001       11.0448303994
  F         9.7391286738       11.1775263620       10.4115223331
  F        10.6238889609       12.6603822123       11.7442006518
  F        11.7669057654       11.8873121837       10.0453530294
  C        15.1942438972        8.7426492160       15.0505610565
  C        15.8584373524        8.5678818084       16.2868630508
  C        16.8098376566        7.5578399003       16.4645404302
  C        17.1140759664        6.6665612921       15.4323642571
  C        16.4829354596        6.8318139791       14.2076030072
  C        15.5622205160        7.8672433240       14.0131615774
  C        17.4842983474        7.2667080051       17.7707580235
  F        17.6135602471        8.3289626643       18.6223556471
  F        16.7937616185        6.3143762038       18.4808637510
  F        18.7593298093        6.7892639157       17.5409439410
  C        11.3916281997       13.4254345415       17.4298669161
  F        10.7858051158       13.6683321629       18.6258836106
  F        10.4811070250       13.7341619833       16.4317915024
  F        12.4022256669       14.3402614584       17.3058198616
  F        17.6304000430        4.8719498843       13.4875373582
  F        17.3764795586        6.5266233916       12.0285934420
  F        15.6569703727        5.2691357706       12.6115634472
  C        16.7879778616        5.8811794589       13.0906308017
  H        10.7383916032       11.2938534225       18.9926628454
  H        13.0860632021       12.4715827470       15.5880573752
  H        13.0833857567        8.3684190461       16.8715626187
  H        15.5011290708       11.9806045054       16.2795562414
  H        17.7982352201       13.9129842389       13.1934407567
  H        15.1329480459       10.6822600616       12.1995074257
  H        12.7467961019       11.7076439378       13.0172327000
  H        10.2681526854        8.9009428498       10.8972546901
  H        12.9858830809        7.5055988795       13.9198720062
  H        15.6324190961        9.2321930874       17.1202673523
  H        17.8215977354        5.8597355453       15.5880303650
  H        15.1171424632        7.9851223085       13.0266545564
  F         2.7319682082       18.6334024435       20.1004267930
  C         2.7327420968       18.2912507444       18.7689638670
  F         1.4087989432       18.0794767777       18.4735091812
  F         3.3596658121       17.0874947494       18.6313487459
  C         3.3431826812       19.3559338845       17.9127228295
  C         4.1840791772       19.0331093245       16.8416377621
  C         4.6926296995       20.0194787178       15.9727999581
  C         4.2729075951       21.3378766995       16.2206675127
  C         3.4399594110       21.6639875046       17.2991734121
  C         2.9720429649       20.6795109934       18.1649924489
  C         2.9237239214       23.0646575609       17.4349328855
  F         2.2998289971       23.2920934708       18.6243295067
  F         3.9023541399       24.0240571334       17.3052241682
  F         1.9925653588       23.2934740942       16.4317421340
  B         5.6124781573       19.6393245868       14.6706672433
  C         6.6537175991       18.4156473700       14.9681446493
  C         7.2707081594       18.2827281902       16.2243354008
  C         8.2429913691       17.3091291620       16.4686913079
  C         8.6400644759       16.4161615088       15.4723474326
  C         8.0499817757       16.5432131554       14.2154812832
  C         7.0895384632       17.5312173001       13.9657154747
  C         8.4235269932       15.5966797047       13.1144375387
  F         7.3128977584       15.0304626486       12.5391835091
  F         9.2158091041       14.5689672065       13.5620685024
  F         9.1081341338       16.2276899444       12.1007090135
  C         8.7833298562       17.1552382729       17.8519530624
  F         8.9100805859       18.3673808901       18.4839564124
  F        10.0142689056       16.5640322934       17.8928004131
  F         7.9539242642       16.3793767159       18.6302741415
  C         6.6306576892       20.8543352823       14.2668941493
  C         7.2087665366       21.7029677012       15.2292493820
  C         8.1644326105       22.6672973653       14.8890944746
  C         8.5956364947       22.8180998402       13.5675500323
  C         8.0408191242       21.9752261639       12.6039742718
  C         7.0842080530       21.0147599682       12.9479560455
  C         8.4045068644       22.1125489966       11.1581139653
  F         8.8235869585       20.9057141751       10.6311409138
  F         9.3805493255       23.0322633810       10.9267892323
  F         7.3248568596       22.5147018513       10.4082418644
  C         8.6820710844       23.5855005739       15.9562196670
  F         9.6017663549       24.4691154952       15.4764843203
  F         7.6876706786       24.3578397918       16.5045350606
  F         9.2705320949       22.8897010094       17.0027218699
  C         4.5432503242       19.2826786566       13.4794269305
  C         4.0535938464       17.9796539368       13.2696903779
  C         3.0841871745       17.6951727301       12.2960510919
  C         2.5611912149       18.7112100996       11.4948946038
  C         3.0193592563       20.0178842326       11.7017218355
  C         3.9806510891       20.2954099110       12.6770355306
  C         2.3993416050       21.1147847206       10.8860324446
  F         2.3720001578       20.7826044449        9.5414587541
  F         1.0902503109       21.3344871899       11.2600572264
  F         3.0363785180       22.3170890178       10.9979385733
  C         2.5091158111       16.3091635876       12.1876929876
  F         1.9323498905       16.0519840995       10.9844488336
  F         3.4285413744       15.3141037978       12.3965770220
  F         1.5224434654       16.1210630579       13.1306079735
  H         4.4397272179       17.9888186150       16.6736438594
  H         4.5957915521       22.1354732662       15.5530608607
  H         2.3162451352       20.9310838476       18.9940761926
  H         6.9895372946       18.9545408952       17.0336919064
  H         9.3713340915       15.6408353262       15.6763004886
  H         6.6689041116       17.6039796831       12.9633041774
  H         6.9049213278       21.6207088573       16.2720455891
  H         9.3231324488       23.5757558318       13.2963323820
  H         6.6811450107       20.3793009004       12.1612503919
  H         4.4312288260       17.1608240507       13.8801676246
  H         1.8107465399       18.4920708883       10.7395874238
  H         4.3002940671       21.3269926701       12.8131378958
  F        15.6186843904        1.2749194545       -0.2928531787
  C        15.6618762038        1.6682429045        1.0285221522
  F        16.9912768711        1.8961517010        1.3187082191
  F        15.0494950409        2.8842873156        1.1016250038
  C        15.0730060892        0.6117655819        1.9263340259
  C        14.2323868426        0.9251456852        3.0010326469
  C        13.7373717993       -0.0701059365        3.8727332522
  C        14.1798853082       -1.3821311568        3.6391542061
  C        15.0055889715       -1.7037329162        2.5572788695
  C        15.4521417102       -0.7142271111        1.6805259040
  C        15.4679840003       -3.1193346694        2.3842086946
  F        16.0485201239       -3.3176077754        1.1716657860
  F        14.4479505214       -4.0415241274        2.4966941238
  F        16.4091145509       -3.4511939168        3.3550538387
  B        12.7905819948        0.2695311019        5.1645076966
  C        11.7349231584        1.4790831367        4.8506660247
  C        11.1249417375        1.5897965469        3.5857604745
  C        10.1455964925        2.5511062789        3.3212886658
  C         9.7299755170        3.4511638691        4.3070022212
  C        10.3149799832        3.3500243758        5.5664781204
  C        11.2886992410        2.3770216002        5.8346902758
  C         9.9531352191        4.3104630684        6.6597560277
  F        11.0925863503        4.8777054894        7.1882726685
  F         9.1361472596        5.3317830983        6.2380836118
  F         9.3071777866        3.6817715381        7.6996126916
  C         9.6235941674        2.7179584274        1.9292194958
  F         9.4968460440        1.5332815143        1.2493301580
  F         8.4031839960        3.3405665095        1.9038546367
  F        10.4692916748        3.4747061151        1.1646853076
  C        11.7931022422       -0.9694027256        5.5553634293
  C        11.2566013728       -1.8485947944        4.5963614422
  C        10.2953786586       -2.8098959630        4.9283423661
  C         9.8224390046       -2.9359292777        6.2375186011
  C        10.3418347418       -2.0718554679        7.1998473157
  C        11.3029324649       -1.1110818086        6.8651537411
  C         9.9454795024       -2.1880722381        8.6401176120
  F         9.5857565227       -0.9741173778        9.1688499605
  F         8.9072030162       -3.0504424049        8.8704028248
  F        11.0138044473       -2.6145525528        9.3931965361
  C         9.7527011620       -3.6989583978        3.8501713339
  F         8.8178139044       -4.5676554276        4.3254109088
  F        10.7199252717       -4.4530899268        3.2282719399
  F         9.1415140237       -2.9678195137        2.8550178399
  C        13.8525891434        0.6119937009        6.3620412159
  C        14.3436627366        1.9103761796        6.5753271606
  C        15.3244303963        2.1860188695        7.5371455482
  C        15.8636369004        1.1732851488        8.3262791848
  C        15.4105080888       -0.1325949929        8.1087017787
  C        14.4313621183       -0.4055621123        7.1479499781
  C        16.0232170180       -1.2295665926        8.9249716988
  F        16.0416266936       -0.8763488918       10.2638562056
  F        17.3294044610       -1.4916906116        8.5811359215
  F        15.3722053191       -2.4177185222        8.8050836937
  C        15.8737194794        3.5767931026        7.6264101316
  F        16.4769426441        3.8583243223        8.8117186314
  F        14.9137982511        4.5290418226        7.4086683643
  F        16.8282557104        3.7875242618        6.6613543064
  H        13.9585193655        1.9664193839        3.1670209170
  H        13.8725951676       -2.1797111705        4.3142312749
  H        16.0914382439       -0.9663007110        0.8389125462
  H        11.4207899753        0.9107044192        2.7869900338
  H         8.9891514343        4.2150440197        4.0915999811
  H        11.7127651592        2.3322176081        6.8369819793
  H        11.5908863267       -1.7866415079        3.5615320759
  H         9.0852202365       -3.6874892362        6.5012450386
  H        11.6763010406       -0.4538991921        7.6494514976
  H        13.9612676472        2.7362739863        5.9772598950
  H        16.6168117486        1.3906813676        9.0804148959
  H        14.1134765544       -1.4369111881        7.0084405020
  H        10.8050247736       11.7699929658        4.7574224713
  H        11.6104502434       10.0704729268        3.1383089757
     646
 i =      104, E =         0.0056738472
 Rh         3.6405848379        0.2380359514        4.8190909028
  P         5.3870802126        0.6383253680        6.2845779674
  C         5.2296331738       -0.2995790581        7.8723246675
  C         4.8308516987       -1.7732176381        7.6671665372
  C         4.5355465807       -2.4330518653        9.0245732184
  C         5.7210097310       -2.3085219059        9.9924368917
  C         6.1880523329       -0.8530247763       10.1414489499
  C         6.4643348248       -0.1912307302        8.7808016165
  C         5.6708325245        2.4053972333        6.8027063199
  C         4.6426065512        2.8183889694        7.8802512981
  C         4.6183761951        4.3291883391        8.1671050250
  C         4.5385973574        5.1598182630        6.8834515906
  C         5.7003717841        4.8021291150        5.9542261650
  C         5.6258033691        3.3214002924        5.5610233358
  C         6.9992568376        0.0920232733        5.5184332201
  C         6.9707239037        0.2291660712        3.9875936875
  P         5.3080601919       -0.2370332572        3.2906626730
  C         5.4596499912       -2.0245348743        2.7865189102
  C         4.3663028811       -2.4029760884        1.7675535488
  C         4.3786050197       -3.9023834038        1.4520058689
  C         4.2411280495       -4.7485309755        2.7196125770
  C         5.3704807432       -4.4256907200        3.7027772253
  C         5.4063311861       -2.9255708866        4.0420285370
  C         5.1357348814        0.7068372738        1.7071886709
  C         4.8592924229        2.2076318412        1.9225882089
  C         4.4315385515        2.8407085736        0.5876949801
  C         5.4925110056        2.6368246751       -0.5056839705
  C         5.9008616251        1.1609438373       -0.6494729537
  C         6.2851448649        0.5262854419        0.7005907702
  C         1.8805571712        0.3155366347        3.4704720902
  C         1.9069742860       -0.9357969009        4.0924230796
  C         1.0726264752       -0.8102745408        5.3808527461
  C         1.9396105833        0.1196211218        6.2562916523
  C         1.9114210935        1.3710642514        5.6392534243
  C         1.0276638743        1.2248074086        4.3835737589
  C        -0.0119002049        0.1926055886        4.9005083211
  H         4.3845721913        0.2018578421        8.3727102622
  H         5.6453934257       -2.3141350621        7.1625624269
  H         3.9545181480       -1.8399828154        7.0047942147
  H         4.2713554232       -3.4901575012        8.8790960081
  H         3.6499078991       -1.9516085667        9.4643496485
  H         5.4440297631       -2.7166544588       10.9753516260
  H         6.5564255755       -2.9233337399        9.6309413569
  H         7.0966130894       -0.8017386560       10.7595654507
  H         5.4104160939       -0.2746090467       10.6647531253
  H         6.7638419028        0.8549372170        8.9264665304
  H         7.3124680332       -0.6914417313        8.2956740677
  H         6.6829051869        2.4579503576        7.2359527917
  H         4.8550644730        2.2821012748        8.8150582821
  H         3.6386905105        2.4982740475        7.5681553687
  H         5.5247882837        4.6154197623        8.7194804244
  H         3.7691541176        4.5492334021        8.8300921115
  H         4.5404438886        6.2306502996        7.1295876179
  H         3.5878400489        4.9681480049        6.3640433287
  H         6.6529593024        5.0038836249        6.4633572541
  H         5.6948964361        5.4220597409        5.0485886329
  H         6.4452221945        3.0673297648        4.8725914621
  H         4.6894348012        3.1364967111        5.0093912608
  H         7.8371511084        0.6550667281        5.9541874101
  H         7.1391506129       -0.9594831831        5.8069753024
  H         7.7643909185       -0.3667381783        3.5142712358
  H         7.1378432306        1.2751618559        3.6942092961
  H         6.4437580629       -2.1436214946        2.3046065394
  H         4.4898986655       -1.8300424922        0.8387578299
  H         3.3775797928       -2.1310058870        2.1603507449
  H         5.3191351384       -4.1573238425        0.9425026503
  H         3.5677276290       -4.1265421048        0.7476506592
  H         4.2405225567       -5.8160003973        2.4597613296
  H         3.2667004480       -4.5536912412        3.1919688427
  H         5.2503511675       -4.9953728339        4.6365837259
  H         6.3337373097       -4.7325043471        3.2696852642
  H         6.2687421368       -2.7168543184        4.6912124906
  H         4.5094033294       -2.6606123353        4.6251823275
  H         4.2231885895        0.2709935698        1.2671185729
  H         5.7694325709        2.7040292534        2.2916292860
  H         4.0854899959        2.3527229018        2.6918337583
  H         4.2270969958        3.9118143983        0.7244821072
  H         3.4821352609        2.3831992528        0.2710367029
  H         6.3812260697        3.2395163030       -0.2680353952
  H         5.1132389497        3.0156397613       -1.4662040824
  H         6.7424062718        1.0680111795       -1.3518174629
  H         5.0633470609        0.5907288955       -1.0822931248
  H         7.1860179245        1.0152542744        1.0922554529
  H         6.5386486642       -0.5323034392        0.5604251510
  H         2.1166001105        0.5354439017        2.4330678120
  H         2.1754739322       -1.8882432219        3.6453834735
  H         0.7556028179       -1.7497474616        5.8399250465
  H         2.2299836271       -0.1001877979        7.2797619312
  H         2.1850423369        2.3252842851        6.0795788783
  H         0.6666857879        2.1555737044        3.9389009125
  H        -0.6336566062        0.5774419993        5.7152394521
  H        -0.6409890460       -0.2143463700        4.1019954196
 Rh        14.7184056510       19.6360959189       14.9745350047
  P        12.9531655093       19.2051436235       13.5266526687
  C        13.1264394845       20.1885960162       11.9628364629
  C        13.5045694293       21.6606935767       12.2120947752
  C        13.8474677449       22.3555077577       10.8839074007
  C        12.6910474007       22.2534424168        9.8796506906
  C        12.2566022050       20.7953926393        9.6707192057
  C        11.9341274966       20.0879557300       10.9998619865
  C        12.6585604512       17.4554439956       12.9553946024
  C        13.6697769145       17.0369883393       11.8664588170
  C        13.5994686962       15.5341274981       11.5536328822
  C        13.7848605774       14.7043078284       12.8265993083
  C        12.6819804000       15.0369213378       13.8357313842
  C        12.6894724427       16.5313564315       14.1934296801
  C        11.3318463655       19.6911026146       14.3304161448
  C        11.4098206518       19.6734012572       15.8688256315
  P        13.0869655504       20.1699781073       16.5138760768
  C        12.9270166134       21.9698209209       16.9589570266
  C        13.9860371295       22.4269781552       17.9850856694
  C        13.9959115776       23.9547304287       18.1708333666
  C        14.0852752485       24.7121859795       16.8419430090
  C        12.9453837892       24.2962037961       15.9103860202
  C        13.0117440997       22.7870564160       15.6520510725
  C        13.3285961858       19.2274576697       18.0913367966
  C        13.5955907969       17.7357856485       17.8067679440
  C        14.0359975652       17.0201769336       19.0918764385
  C        12.9890832682       17.1749365525       20.2057552017
  C        12.6227832121       18.6494874244       20.4481137712
  C        12.2257152434       19.3842631500       19.1511116119
  C        16.4450163646       19.6303680360       16.3552896453
  C        16.4643084225       20.8229748932       15.6245077570
  C        17.3234652483       20.5588900288       14.3722922832
  C        16.4471584359       19.5785558902       13.5614952455
  C        16.4234280891       18.3874549027       14.2883770274
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 Rh        12.6612048292        9.8007270013        4.6972354821
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  F         9.9829279332        8.3888507713       18.4854620945
  C        11.2759240449        8.6563414513       18.8870198176
  F        11.9352061380        7.4694769359       18.8445520124
  F        11.2165906678        9.0174461637       20.2228929904
  C        11.8827095766        9.7250445092       18.0218755711
  C        11.4347343126       11.0391100209       18.1985900794
  C        11.8873948218       12.0126123795       17.3084303724
  C        12.7684502282       11.6833545414       16.2696281547
  C        13.2454195134       10.3744781578       16.0786151627
  C        12.7688257237        9.4039495230       16.9853776598
  B        14.1566257565        9.9820501227       14.7699598775
  C        15.1615205088       11.1872871222       14.3006254873
  C        15.7668675225       12.0539459320       15.2258813708
  C        16.7025897122       13.0206474478       14.8375373223
  C        17.0862435625       13.1519240667       13.4979914309
  C        16.5056351393       12.2883156067       12.5610969847
  C        15.5658832259       11.3305423624       12.9597410521
  C        16.8417723829       12.3977788997       11.0970691101
  F        17.8574545731       13.2702312028       10.8526147482
  F        15.7543567051       12.8160204531       10.3459799143
  F        17.2355295423       11.1909991943       10.5615137228
  C        17.2391476269       13.9422716284       15.8969869776
  F        16.2461330416       14.6726242994       16.4975965113
  F        18.1483479596       14.8386183221       15.4058593500
  F        17.8387085026       13.2541445967       16.9339572471
  C        13.0512153547        9.6444182291       13.5973992432
  C        12.4470842767       10.6741106801       12.8464961309
  C        11.4642908865       10.4128370054       11.8814541001
  C        11.0384046454        9.1075928284       11.6336554301
  C        11.6024252686        8.0754085362       12.3849790368
  C        12.5821028673        8.3395438026       13.3478315826
  C        11.0274847919        6.6992647615       12.2312711656
  F        10.4971896871        6.4948240433       10.9941814515
  F        11.9228577669        5.6912125143       12.4653659771
  F        10.0062814672        6.4975187231       13.1313864685
  C        10.9012966706       11.5266954697       11.0447008958
  F         9.7390441004       11.1773315362       10.4114716876
  F        10.6237296335       12.6604925910       11.7444352323
  F        11.7671547366       11.8870296477       10.0450754630
  C        15.1941921903        8.7423089137       15.0503026256
  C        15.8583484842        8.5677108738       16.2868152191
  C        16.8097896352        7.5579915600       16.4645759012
  C        17.1142275212        6.6667595476       15.4322553449
  C        16.4825809110        6.8321269465       14.2074788344
  C        15.5618792835        7.8671568829       14.0130263420
  C        17.4843087545        7.2667236594       17.7706445756
  F        17.6135518447        8.3288772373       18.6222958496
  F        16.7938178070        6.3144500659       18.4808622167
  F        18.7592385777        6.7893355729       17.5409400255
  C        11.3916418463       13.4254481037       17.4299117780
  F        10.7857875527       13.6683233472       18.6259241341
  F        10.4811105796       13.7341017752       16.4317938886
  F        12.4022693559       14.3402725803       17.3058312105
  F        17.6300638747        4.8716446824       13.4873186644
  F        17.3763829915        6.5265436823       12.0284792902
  F        15.6573680099        5.2686507432       12.6117319704
  C        16.7880228667        5.8813957406       13.0906653998
  H        10.7389123798       11.2939510463       18.9931555165
  H        13.0862760553       12.4716527990       15.5883310787
  H        13.0825222240        8.3682145742       16.8708229918
  H        15.5004387714       11.9812695258       16.2793205746
  H        17.7982676621       13.9129373860       13.1933915617
  H        15.1334326080       10.6817372066       12.1995369819
  H        12.7468081616       11.7077068496       13.0171020444
  H        10.2691294212        8.9008113931       10.8963547830
  H        12.9848975756        7.5058217199       13.9209364338
  H        15.6320950954        9.2321564929       17.1203928261
  H        17.8220087190        5.8600752652       15.5878192687
  H        15.1167817150        7.9848169262       13.0269763748
  F         2.7322534225       18.6343977854       20.1004006250
  C         2.7327312364       18.2907154525       18.7693677558
  F         1.4084134558       18.0798055490       18.4729393302
  F         3.3603685245       17.0876371328       18.6305573797
  C         3.3426748689       19.3556794141       17.9129572099
  C         4.1838616857       19.0334063272       16.8417049990
  C         4.6929479270       20.0199291544       15.9723792420
  C         4.2732248152       21.3380137048       16.2207661219
  C         3.4400198831       21.6640926304       17.2989392246
  C         2.9715811224       20.6795679092       18.1647363399
  C         2.9236848661       23.0647091296       17.4350415781
  F         2.2996941360       23.2920034570       18.6244334464
  F         3.9024190641       24.0239747339       17.3051215234
  F         1.9925336714       23.2934272745       16.4316444106
  B         5.6123424620       19.6391924617       14.6709063839
  C         6.6534899656       18.4153706989       14.9682721608
  C         7.2704553250       18.2824556108       16.2244504639
  C         8.2429927707       17.3090727984       16.4686283029
  C         8.6402438127       16.4164453496       15.4722881959
  C         8.0500214442       16.5430724872       14.2155006766
  C         7.0891605673       17.5309023067       13.9657626827
  C         8.4235305182       15.5966857185       13.1144381498
  F         7.3128774272       15.0304085581       12.5392484966
  F         9.2157815841       14.5689681391       13.5620705084
  F         9.1081724282       16.2277021526       12.1007308435
  C         8.7833712029       17.1552163561       17.8519933576
  F         8.9100330678       18.3673643894       18.4839503243
  F        10.0142906432       16.5640368574       17.8928104745
  F         7.9538980258       16.3794010043       18.6302722679
  C         6.6307414189       20.8540483668       14.2669983880
  C         7.2090671467       21.7026822275       15.2293438018
  C         8.1644028348       22.6672119561       14.8890970794
  C         8.5952970080       22.8182267522       13.5675208949
  C         8.0407347083       21.9752506415       12.6039876176
  C         7.0843409476       21.0146878601       12.9479703590
  C         8.4044717746       22.1125546045       11.1580750081
  F         8.8235907793       20.9057104941       10.6311560913
  F         9.3805459914       23.0322709048       10.9268790843
  F         7.3248058437       22.5147038850       10.4082499257
  C         8.6820625289       23.5854672162       15.9562389944
  F         9.6017507579       24.4690997831       15.4764986032
  F         7.6876766042       24.3578290546       16.5045448264
  F         9.2705103158       22.8897063223       17.0027276963
  C         4.5431362211       19.2826335254       13.4794695738
  C         4.0534948610       17.9796494864       13.2696619562
  C         3.0841721095       17.6952008423       12.2961689211
  C         2.5610328035       18.7112134675       11.4950824553
  C         3.0192477176       20.0179656598       11.7018435599
  C         3.9805428087       20.2954357062       12.6771469930
  C         2.3992647110       21.1148574732       10.8861174258
  F         2.3719344682       20.7825309400        9.5414509333
  F         1.0902498942       21.3344780149       11.2601194638
  F         3.0363661161       22.3170411718       10.9980547134
  C         2.5090830601       16.3091460251       12.1876729304
  F         1.9323106980       16.0519632052       10.9844289188
  F         3.4285583699       15.3140882827       12.3966192804
  F         1.5224181775       16.1210513701       13.1306555597
  H         4.4397105107       17.9883674824       16.6735118163
  H         4.5963390435       22.1353626269       15.5537728746
  H         2.3153982165       20.9308919316       18.9934773355
  H         6.9891006345       18.9541006176       17.0338641138
  H         9.3719953757       15.6412711813       15.6760769961
  H         6.6683197632       17.6033842270       12.9635791480
  H         6.9054551110       21.6200888282       16.2721635843
  H         9.3225025272       23.5762407639       13.2962006502
  H         6.6812152362       20.3790548588       12.1612218439
  H         4.4311895800       17.1607877945       13.8801021184
  H         1.8103013703       18.4921624143       10.7398456775
  H         4.3001169546       21.3269806650       12.8132886362
  F        15.6189167981        1.2746990597       -0.2928352888
  C        15.6618688831        1.6682683835        1.0284457618
  F        16.9912245159        1.8961964945        1.3187409266
  F        15.0495584180        2.8843600889        1.1019059851
  C        15.0731338094        0.6118796572        1.9262822310
  C        14.2319278543        0.9250985274        3.0006716629
  C        13.7368275050       -0.0702056113        3.8723190669
  C        14.1793439120       -1.3822199327        3.6386199236
  C        15.0055932723       -1.7037411813        2.5572432570
  C        15.4526993746       -0.7141719873        1.6808632768
  C        15.4680498140       -3.1193804019        2.3842316261
  F        16.0485346925       -3.3175776696        1.1716145501
  F        14.4479464773       -4.0414811576        2.4966826148
  F        16.4090886710       -3.4511360944        3.3549794795
  B        12.7902220618        0.2694152763        5.1640593307
  C        11.7350134002        1.4789510633        4.8501644231
  C        11.1250112251        1.5901515126        3.5854372327
  C        10.1456170021        2.5513633051        3.3212816878
  C         9.7301761728        3.4515664686        4.3069758594
  C        10.3158827014        3.3502308296        5.5662515824
  C        11.2891473990        2.3769061584        5.8342844647
  C         9.9541543426        4.3103735643        6.6598968054
  F        11.0934924621        4.8779920407        7.1885358598
  F         9.1371569913        5.3315585730        6.2381673739
  F         9.3074130399        3.6817264084        7.6994314599
  C         9.6235668768        2.7180762131        1.9291939565
  F         9.4967290823        1.5333964565        1.2493571805
  F         8.4031184415        3.3404619577        1.9037998586
  F        10.4693037768        3.4747605467        1.1646332652
  C        11.7924634391       -0.9691076897        5.5550353264
  C        11.2557511222       -1.8480045904        4.5960212813
  C        10.2950733463       -2.8097133950        4.9281971445
  C         9.8224565703       -2.9360216735        6.2374891860
  C        10.3417313638       -2.0717880066        7.1998354090
  C        11.3026596639       -1.1108369899        6.8649523631
  C         9.9454842668       -2.1880553213        8.6400913660
  F         9.5858167463       -0.9740837370        9.1688424959
  F         8.9072155782       -3.0504727555        8.8703691586
  F        11.0138288888       -2.6145334485        9.3931768707
  C         9.7526114055       -3.6989263875        3.8501293439
  F         8.8177907507       -4.5677002412        4.3253957590
  F        10.7199123419       -4.4530853923        3.2282942302
  F         9.1414943550       -2.9678228703        2.8549537971
  C        13.8523026479        0.6117873503        6.3615872064
  C        14.3436217307        1.9102846243        6.5744262161
  C        15.3247364821        2.1860847903        7.5359024848
  C        15.8640311233        1.1731364882        8.3250040605
  C        15.4103368064       -0.1326860245        8.1080913269
  C        14.4310323363       -0.4056837656        7.1478177795
  C        16.0231929496       -1.2294712001        8.9248257266
  F        16.0416137342       -0.8762714179       10.2637796406
  F        17.3293842972       -1.4916371499        8.5811198399
  F        15.3721782272       -2.4177087031        8.8050535319
  C        15.8736500191        3.5765677392        7.6264950074
  F        16.4776741550        3.8584712211        8.8101037459
  F        14.9138629581        4.5290581673        7.4087415582
  F        16.8285535346        3.7877401717        6.6621699343
  H        13.9577447105        1.9663021836        3.1663141968
  H        13.8714322921       -2.1798997351        4.3133998953
  H        16.0927482722       -0.9660787996        0.8397678014
  H        11.4209524488        0.9113944034        2.7865232841
  H         8.9894152084        4.2154094652        4.0918240735
  H        11.7131142602        2.3321527569        6.8367464273
  H        11.5894717489       -1.7854753442        3.5610864850
  H         9.0855513913       -3.6877717509        6.5013260942
  H        11.6761091635       -0.4536604307        7.6492284204
  H        13.9605341674        2.7358843641        5.9763339131
  H        16.6173658323        1.3909870584        9.0785324741
  H        14.1129000673       -1.4371441245        7.0086364534
  H        10.8049359161       11.7701383357        4.7556104586
  H        11.6096181242       10.0696120755        3.1376438710
     646
 i =      105, E =         0.0004696973
 Rh         3.6407310617        0.2381127704        4.8191536970
  P         5.3871459380        0.6383315530        6.2846912723
  C         5.2296193101       -0.2998041047        7.8722798354
  C         4.8310860849       -1.7735222145        7.6670212032
  C         4.5355059047       -2.4332981131        9.0243849265
  C         5.7209792872       -2.3089349579        9.9922900002
  C         6.1879685117       -0.8534340534       10.1414542682
  C         6.4642218549       -0.1914033399        8.7809314726
  C         5.6707768699        2.4054269135        6.8028596474
  C         4.6423889251        2.8184950881        7.8802395536
  C         4.6187450629        4.3292565096        8.1671488720
  C         4.5387985533        5.1600873249        6.8836424361
  C         5.7001705943        4.8021490281        5.9540023054
  C         5.6259953900        3.3213617515        5.5610852528
  C         6.9993411725        0.0920625063        5.5185384126
  C         6.9708719801        0.2291894872        3.9876629683
  P         5.3081691949       -0.2370213776        3.2907750179
  C         5.4600506212       -2.0245147817        2.7866742890
  C         4.3668610230       -2.4028942845        1.7674358467
  C         4.3787799434       -3.9024406942        1.4522170947
  C         4.2412412416       -4.7483464051        2.7199628019
  C         5.3708804801       -4.4256080466        3.7028559648
  C         5.4065095046       -2.9255110881        4.0422090090
  C         5.1354052878        0.7067094151        1.7072700545
  C         4.8588280338        2.2074875328        1.9226664727
  C         4.4314897700        2.8407688229        0.5877237486
  C         5.4927886338        2.6369537588       -0.5053409930
  C         5.9006629622        1.1610034087       -0.6494275855
  C         6.2846760368        0.5259369886        0.7005389380
  C         1.8806745616        0.3156528237        3.4705373535
  C         1.9071228069       -0.9358127771        4.0925356786
  C         1.0727457963       -0.8099811765        5.3810526062
  C         1.9399112833        0.1200794740        6.2564787515
  C         1.9116548067        1.3711937531        5.6391050498
  C         1.0279319823        1.2250212477        4.3835546593
  C        -0.0117242277        0.1928948135        4.9005323722
  H         4.3844222284        0.2014591666        8.3726427833
  H         5.6458603864       -2.3143328147        7.1627160105
  H         3.9549525132       -1.8404538293        7.0043819389
  H         4.2711535621       -3.4903727210        8.8789203252
  H         3.6499516726       -1.9517044548        9.4641055163
  H         5.4440057342       -2.7171851012       10.9751530934
  H         6.5563712685       -2.9237073695        9.6306991299
  H         7.0965652189       -0.8021989821       10.7595631880
  H         5.4103351569       -0.2751399823       10.6648666304
  H         6.7635613864        0.8547614023        8.9267304757
  H         7.3124539080       -0.6914507944        8.2957451100
  H         6.6827743797        2.4580134284        7.2363471995
  H         4.8542827811        2.2819760280        8.8149214893
  H         3.6384166545        2.4988928389        7.5676757216
  H         5.5254247606        4.6151576451        8.7192998179
  H         3.7697762432        4.5495809905        8.8304833486
  H         4.5408955015        6.2307349414        7.1297689365
  H         3.5877485141        4.9685430723        6.3644996068
  H         6.6529689630        5.0044474870        6.4625297949
  H         5.6940249095        5.4218363765        5.0480862943
  H         6.4455713782        3.0673524766        4.8729500687
  H         4.6897389768        3.1361751227        5.0092331812
  H         7.8372504475        0.6550816188        5.9543233520
  H         7.1391843586       -0.9594250800        5.8070665456
  H         7.7644620961       -0.3668398325        3.5144432948
  H         7.1381377359        1.2751619554        3.6942440394
  H         6.4442335276       -2.1435119736        2.3050162847
  H         4.4911570303       -1.8303326877        0.8385392242
  H         3.3781451652       -2.1303763605        2.1597393624
  H         5.3190370330       -4.1576895155        0.9425724229
  H         3.5676171899       -4.1264423986        0.7480414508
  H         4.2405366122       -5.8159273428        2.4601448045
  H         3.2669975865       -4.5534373333        3.1924381444
  H         5.2509495086       -4.9953750653        4.6366988734
  H         6.3340057063       -4.7322772502        3.2695901916
  H         6.2689159562       -2.7167329960        4.6914899310
  H         4.5095861688       -2.6606261016        4.6252481331
  H         4.2227934170        0.2707349396        1.2674467928
  H         5.7687745942        2.7039080955        2.2921310969
  H         4.0847224296        2.3523937126        2.6916290033
  H         4.2271262041        3.9118725718        0.7246517070
  H         3.4821560455        2.3834217336        0.2707011786
  H         6.3815709504        3.2392995122       -0.2672490064
  H         5.1139130320        3.0161752555       -1.4659205104
  H         6.7422657158        1.0679120042       -1.3516840225
  H         5.0630132161        0.5911423390       -1.0824402136
  H         7.1857930999        1.0144216883        1.0922702683
  H         6.5376377553       -0.5327043572        0.5601889364
  H         2.1167200688        0.5353864565        2.4330415190
  H         2.1755190339       -1.8881058588        3.6456394305
  H         0.7557505606       -1.7493261262        5.8402458753
  H         2.2302602617       -0.0996985558        7.2797326319
  H         2.1854883121        2.3257213990        6.0793385857
  H         0.6669559945        2.1557772512        3.9387622857
  H        -0.6334410837        0.5778902449        5.7153271530
  H        -0.6408085087       -0.2140741914        4.1021810849
 Rh        14.7184135993       19.6361114352       14.9745718430
  P        12.9533284167       19.2052257855       13.5266550044
  C        13.1266559700       20.1885965549       11.9627872183
  C        13.5046575594       21.6607915841       12.2121448452
  C        13.8475221317       22.3556441057       10.8839343938
  C        12.6909920628       22.2536240564        9.8797202484
  C        12.2564549860       20.7955378733        9.6708144666
  C        11.9341794191       20.0881067820       11.0000016263
  C        12.6587932560       17.4554032923       12.9556646841
  C        13.6701519026       17.0369793480       11.8668525546
  C        13.5996980365       15.5341728406       11.5537437892
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  F         1.0157264717       11.1552990614        1.3117317185
  F         1.8934917032       13.1557395240        1.0971522794
  F        -0.1571875377       12.9028945024        1.9035684365
  C         6.8217888266        6.4133577377        2.2177861284
  F         7.6155626620        6.2389103922        1.1138016430
  F         7.4986756575        5.8846732015        3.2979127660
  F         5.7123305265        5.6253388717        2.0530574855
  F         0.7127563850       15.0292139327        6.2354897236
  F         0.8947660796       13.3790634480        7.6962826773
  F         2.6779929237       14.5682940450        7.1196068354
  C         1.5259691925       13.9961948588        6.6379035861
  H         7.7212637284        8.6086140261        0.8925868089
  H         5.1165646635        7.3417823824        4.0694656291
  H         5.4626670700       11.5247164337        3.1178731944
  H         2.8112472141        7.9418657839        3.5968647132
  H         0.5887127960        5.9719846575        6.7142325653
  H         3.2922779099        9.1857008143        7.6797039589
  H         5.5906422270        8.1709158203        6.7158046568
  H         8.0433820956       10.8350633516        9.0352406402
  H         5.4749243747       12.3852628946        5.9421598843
  H         2.9039241945       10.6115416868        2.7214989931
  H         0.5559130815       13.9532623021        4.0717123533
  H         3.2036963390       11.9338927178        6.8000349438
  F         9.9829498922        8.3888512998       18.4854990559
  C        11.2758964325        8.6562568168       18.8869929078
  F        11.9351865246        7.4694559431       18.8445308202
  F        11.2165460864        9.0174936395       20.2229290582
  C        11.8827582992        9.7253174534       18.0217196590
  C        11.4348310967       11.0388675828       18.1987738666
  C        11.8874335787       12.0126756914       17.3084794656
  C        12.7685006984       11.6834457363       16.2696338652
  C        13.2454084957       10.3745050852       16.0785188244
  C        12.7685354828        9.4037599644       16.9854312129
  B        14.1567286481        9.9819547840       14.7700053294
  C        15.1614890337       11.1873013795       14.3004919423
  C        15.7666940267       12.0540537840       15.2258871823
  C        16.7025970582       13.0207564578       14.8375289971
  C        17.0862637868       13.1519090027       13.4978555805
  C        16.5055886580       12.2882432669       12.5613022402
  C        15.5659788813       11.3304533122       12.9597282258
  C        16.8419439458       12.3978441756       11.0970427327
  F        17.8573797280       13.2701526437       10.8525740975
  F        15.7543060465       12.8160325322       10.3459091701
  F        17.2355174796       11.1909702570       10.5614643471
  C        17.2391444592       13.9422874024       15.8969702658
  F        16.2461545470       14.6726244479       16.4975994586
  F        18.1483109189       14.8385655354       15.4058857382
  F        17.8386957801       13.2541776220       16.9339321050
  C        13.0509586684        9.6442851984       13.5973139516
  C        12.4468806802       10.6739860125       12.8462763404
  C        11.4645437922       10.4127304177       11.8816096272
  C        11.0385964149        9.1078346566       11.6334457181
  C        11.6024869121        8.0754313515       12.3850345279
  C        12.5821276760        8.3395941824       13.3482669262
  C        11.0274205248        6.6991801396       12.2312723006
  F        10.4971768949        6.4948064900       10.9941184745
  F        11.9229086462        5.6912025395       12.4653627239
  F        10.0062611863        6.4975157183       13.1314284961
  C        10.9011205684       11.5268709816       11.0444343247
  F         9.7393301278       11.1775588620       10.4116681608
  F        10.6239937925       12.6601476941       11.7441199058
  F        11.7667953196       11.8872295406       10.0455871145
  C        15.1938881078        8.7426872701       15.0506331130
  C        15.8582842030        8.5676519639       16.2867591560
  C        16.8096941060        7.5580866180       16.4644814491
  C        17.1144265699        6.6667176833       15.4322914842
  C        16.4828067550        6.8318022036       14.2072105843
  C        15.5618765786        7.8670085645       14.0131191805
  C        17.4842979832        7.2667282005       17.7707198191
  F        17.6135475080        8.3289818897       18.6223499925
  F        16.7937312189        6.3143774306       18.4808439800
  F        18.7593380663        6.7892576531       17.5409139663
  C        11.3916390738       13.4255164821       17.4299805840
  F        10.7858574664       13.6683180357       18.6258029959
  F        10.4811608342       13.7341291190       16.4318324915
  F        12.4021975777       14.3402390136       17.3058255207
  F        17.6304637539        4.8719155878       13.4875103969
  F        17.3766858630        6.5267710676       12.0281615995
  F        15.6568432449        5.2690375285       12.6114005093
  C        16.7878519223        5.8812898615       13.0911573430
  H        10.7391893592       11.2940025238       18.9933235185
  H        13.0863727451       12.4716768285       15.5884509130
  H        13.0821427638        8.3681558879       16.8704731492
  H        15.5001259390       11.9815696765       16.2792619488
  H        17.7982751689       13.9129039143       13.1933941254
  H        15.1336778344       10.6815436261       12.1996055170
  H        12.7468519457       11.7078666966       13.0170617463
  H        10.2694737059        8.9007138046       10.8958562409
  H        12.9843467596        7.5060990977       13.9212724897
  H        15.6319574409        9.2320761302       17.1203271569
  H        17.8220392491        5.8603950376       15.5876476215
  H        15.1164424598        7.9847266328       13.0267574378
  F         2.7319324644       18.6333827505       20.1003588159
  C         2.7325958583       18.2911981192       18.7689998590
  F         1.4086276565       18.0794003753       18.4735172052
  F         3.3596969890       17.0874987024       18.6312797547
  C         3.3430911307       19.3559849616       17.9122011722
  C         4.1836606051       19.0333963977       16.8418748098
  C         4.6927269793       20.0194186459       15.9728460687
  C         4.2732238850       21.3380745887       16.2210161640
  C         3.4399571958       21.6641405313       17.2989642818
  C         2.9714302215       20.6791146126       18.1646150580
  C         2.9237050448       23.0645863823       17.4349443244
  F         2.2998472805       23.2921508987       18.6242991189
  F         3.9023369666       24.0240412436       17.3052310587
  F         1.9925561463       23.2934989076       16.4317178150
  B         5.6124562443       19.6391872998       14.6707061990
  C         6.6532870887       18.4153407247       14.9683957852
  C         7.2705278408       18.2821792315       16.2245775256
  C         8.2429292672       17.3090062037       16.4682733691
  C         8.6403017312       16.4167112129       15.4724936117
  C         8.0501774263       16.5428908589       14.2155376251
  C         7.0888198189       17.5308577355       13.9654763422
  C         8.4234782986       15.5966904255       13.1143868161
  F         7.3129522927       15.0304830582       12.5392003912
  F         9.2158215635       14.5689774085       13.5620759471
  F         9.1081319547       16.2276671372       12.1007400745
  C         8.7834058837       17.1552124979       17.8521017660
  F         8.9100827466       18.3673860115       18.4839506936
  F        10.0142685896       16.5640444692       17.8927840927
  F         7.9539255869       16.3793853801       18.6302570314
  C         6.6306918525       20.8537687628       14.2669677062
  C         7.2093433066       21.7027176369       15.2294631719
  C         8.1643705268       22.6671155764       14.8889873537
  C         8.5949592413       22.8180656425       13.5674955282
  C         8.0405571232       21.9751626645       12.6042878863
  C         7.0845939602       21.0148204721       12.9478220691
  C         8.4045042119       22.1125792162       11.1579685534
  F         8.8235909633       20.9057244517       10.6311499561
  F         9.3805318128       23.0322502306       10.9268078911
  F         7.3248542929       22.5146987319       10.4082256272
  C         8.6820579189       23.5854766840       15.9562957040
  F         9.6017664811       24.4691029655       15.4764639820
  F         7.6876781723       24.3578349160       16.5045159629
  F         9.2705310832       22.8896985461       17.0027216406
  C         4.5432640548       19.2825941661       13.4796992377
  C         4.0532383737       17.9796327930       13.2694011256
  C         3.0842383326       17.6954639732       12.2961931368
  C         2.5610688905       18.7111666709       11.4952781343
  C         3.0191360807       20.0179552616       11.7018203502
  C         3.9804241350       20.2955441142       12.6770766888
  C         2.3993372774       21.1145990157       10.8861187756
  F         2.3719801386       20.7826390649        9.5415000574
  F         1.0901270002       21.3345566124       11.2600877812
  F         3.0364416868       22.3172505192       10.9979326835
  C         2.5090124020       16.3089388618       12.1876657033
  F         1.9323880930       16.0520179989       10.9844904380
  F         3.4284895478       15.3142053911       12.3965540024
  F         1.5224970928       16.1210991549       13.1305607996
  H         4.4396208111       17.9886691952       16.6734789362
  H         4.5967203712       22.1356744611       15.5538216552
  H         2.3149601386       20.9309401623       18.9932618329
  H         6.9888736357       18.9539520324       17.0339671181
  H         9.3723042569       15.6414623127       15.6759524725
  H         6.6681338018       17.6031040057       12.9638543199
  H         6.9057020277       21.6198026541       16.2722059704
  H         9.3223488916       23.5765893352       13.2961058891
  H         6.6812561234       20.3789489667       12.1612395644
  H         4.4312424284       17.1606966148       13.8801556833
  H         1.8101088430       18.4922106479       10.7399366360
  H         4.3000628526       21.3269714468       12.8133651594
  F        15.6186819620        1.2749779736       -0.2928662699
  C        15.6619012969        1.6682099938        1.0286056280
  F        16.9913307800        1.8961837385        1.3187143635
  F        15.0495291673        2.8843025186        1.1015887248
  C        15.0732355109        0.6119699777        1.9261514554
  C        14.2315982503        0.9251930639        3.0006648132
  C        13.7366911291       -0.0703496063        3.8720333108
  C        14.1792187748       -1.3821957732        3.6381876888
  C        15.0054854735       -1.7034647955        2.5573222348
  C        15.4529873417       -0.7144076936        1.6810518532
  C        15.4680720119       -3.1194188461        2.3841368886
  F        16.0485408207       -3.3176078058        1.1716569581
  F        14.4479594511       -4.0414944076        2.4966971237
  F        16.4091387395       -3.4511968846        3.3550054207
  B        12.7900974920        0.2694042240        5.1638755716
  C        11.7351223637        1.4789203097        4.8500396439
  C        11.1250228397        1.5902992585        3.5852474066
  C        10.1456375547        2.5514486693        3.3210475956
  C         9.7303318631        3.4517616737        4.3070132597
  C        10.3162838336        3.3503218400        5.5663341092
  C        11.2893582701        2.3769604955        5.8342343794
  C         9.9544115339        4.3104661682        6.6599200504
  F        11.0928983299        4.8777919195        7.1884447333
  F         9.1371609198        5.3315384777        6.2381777147
  F         9.3074562972        3.6817481392        7.6994621334
  C         9.6236054306        2.7181301146        1.9293397746
  F         9.4968286449        1.5332651668        1.2492795504
  F         8.4030439866        3.3406368215        1.9038020370
  F        10.4693335606        3.4747991192        1.1645961342
  C        11.7921298910       -0.9690471338        5.5549698478
  C        11.2554256267       -1.8476643986        4.5959438209
  C        10.2949229043       -2.8096447356        4.9281566343
  C         9.8223746583       -2.9361847555        6.2374597337
  C        10.3416642383       -2.0717632513        7.1999080992
  C        11.3026581247       -1.1106253222        6.8647691117
  C         9.9454997526       -2.1880651809        8.6400550230
  F         9.5857658952       -0.9741060266        9.1688507175
  F         8.9072372649       -3.0504249562        8.8703923343
  F        11.0138080765       -2.6145342342        9.3931659901
  C         9.7525069691       -3.6990136266        3.8500968644
  F         8.8178553680       -4.5676305347        4.3253607011
  F        10.7198950770       -4.4530333614        3.2283178364
  F         9.1415079917       -2.9678260790        2.8549472679
  C        13.8522520171        0.6117742122        6.3613384833
  C        14.3435028237        1.9103043989        6.5739120113
  C        15.3247025181        2.1863683891        7.5355002862
  C        15.8643562362        1.1727776450        8.3246822691
  C        15.4101219255       -0.1326770224        8.1075956802
  C        14.4311263606       -0.4056694269        7.1479675130
  C        16.0232029712       -1.2295531622        8.9248060069
  F        16.0415882596       -0.8762595980       10.2637281470
  F        17.3293763550       -1.4916541837        8.5811340725
  F        15.3722206216       -2.4176092162        8.8050685972
  C        15.8731982698        3.5761160699        7.6253299891
  F        16.4781290017        3.8586856580        8.8112120390
  F        14.9135721368        4.5291734940        7.4087616521
  F        16.8286732630        3.7876941099        6.6616247476
  H        13.9574317998        1.9661521716        3.1659757384
  H        13.8708801389       -2.1800641093        4.3130883203
  H        16.0933332649       -0.9659493016        0.8401732791
  H        11.4210290715        0.9116714560        2.7862486145
  H         8.9895480769        4.2155896138        4.0919319304
  H        11.7132789623        2.3320749330        6.8365196209
  H        11.5888460514       -1.7849640016        3.5608226697
  H         9.0857604314       -3.6878590405        6.5013459413
  H        11.6760037734       -0.4535849957        7.6490922738
  H        13.9603180385        2.7356332016        5.9760044353
  H        16.6176220768        1.3910859980        9.0776744496
  H        14.1125882352       -1.4372919169        7.0087057628
  H        10.8048700006       11.7701959642        4.7547497590
  H        11.6092910852       10.0692112419        3.1373341507
     646
 i =      106, E =         0.0054018511
 Rh         3.6410118355        0.2382326818        4.8192662914
  P         5.3872743575        0.6383411484        6.2849124412
  C         5.2295995361       -0.3002250041        7.8722224753
  C         4.8315142443       -1.7740875619        7.6667478959
  C         4.5354618389       -2.4337940520        9.0240288913
  C         5.7209084175       -2.3097179093        9.9920062061
  C         6.1878347104       -0.8542236179       10.1414905403
  C         6.4640150760       -0.1917669484        8.7811632004
  C         5.6707064020        2.4054651278        6.8031832877
  C         4.6419425694        2.8187239343        7.8801015684
  C         4.6194105742        4.3294242156        8.1673474270
  C         4.5391093029        5.1603963738        6.8839342493
  C         5.6998121743        4.8022825470        5.9535153302
  C         5.6262363486        3.3212643259        5.5612452516
  C         6.9995047221        0.0921624013        5.5187365456
  C         6.9711327586        0.2292573239        3.9878157723
  P         5.3083793350       -0.2369993964        3.2910037023
  C         5.4607458178       -2.0244695993        2.7869867910
  C         4.3679893575       -2.4027893825        1.7672324200
  C         4.3789845209       -3.9025131946        1.4526273055
  C         4.2415643446       -4.7481129584        2.7205852344
  C         5.3715480908       -4.4254496860        3.7030958244
  C         5.4069689656       -2.9254086599        4.0425468973
  C         5.1347803363        0.7064579078        1.7074241356
  C         4.8579425844        2.2072037951        1.9228184474
  C         4.4314115913        2.8408855459        0.5878064983
  C         5.4932624937        2.6372039459       -0.5047228840
  C         5.9002935607        1.1611021490       -0.6493244101
  C         6.2837665238        0.5253191788        0.7004524682
  C         1.8809442244        0.3157413424        3.4706487397
  C         1.9073267741       -0.9355425680        4.0928634304
  C         1.0730459461       -0.8093867186        5.3814213857
  C         1.9403631137        0.1208159374        6.2566536102
  C         1.9121974257        1.3718090758        5.6389676268
  C         1.0283833051        1.2253925521        4.3834886648
  C        -0.0113596415        0.1934827791        4.9007260703
  H         4.3841492534        0.2006922905        8.3725196401
  H         5.6467614766       -2.3147164153        7.1630037294
  H         3.9557874794       -1.8413443492        7.0036084897
  H         4.2707800477       -3.4907885303        8.8785828656
  H         3.6500223965       -1.9518923346        9.4636515157
  H         5.4439622934       -2.7182067901       10.9747837166
  H         6.5562804997       -2.9244310999        9.6302383616
  H         7.0964641619       -0.8030867410       10.7595598743
  H         5.4101825429       -0.2761595748       10.6650977278
  H         6.7630337495        0.8544393219        8.9272537239
  H         7.3124227129       -0.6914573037        8.2959016818
  H         6.6825074494        2.4581277140        7.2370947760
  H         4.8528110494        2.2817105455        8.8147264330
  H         3.6379207582        2.5000745337        7.5667913640
  H         5.5266341638        4.6146461277        8.7189469822
  H         3.7710095970        4.5502280049        8.8312116622
  H         4.5417742560        6.2310006233        7.1301597431
  H         3.5876323272        4.9692898063        6.3654140716
  H         6.6529738666        5.0055077578        6.4609542049
  H         5.6923708317        5.4213627923        5.0471886064
  H         6.4462670631        3.0673833887        4.8736071902
  H         4.6903511734        3.1355641411        5.0089627320
  H         7.8374347551        0.6551092323        5.9545828816
  H         7.1392593165       -0.9593312067        5.8072502833
  H         7.7646132467       -0.3670366802        3.5147626074
  H         7.1386881595        1.2751552470        3.6943175700
  H         6.4451689468       -2.1433135099        2.3057870082
  H         4.4935382477       -1.8308818177        0.8381175221
  H         3.3791897902       -2.1291869354        2.1586036089
  H         5.3189050893       -4.1584104652        0.9426977797
  H         3.5674446171       -4.1262568655        0.7488198209
  H         4.2405542109       -5.8157282460        2.4609080962
  H         3.2675093542       -4.5529291331        3.1933749436
  H         5.2521050967       -4.9953637243        4.6368963408
  H         6.3345652778       -4.7318623349        3.2693872794
  H         6.2692151862       -2.7165099870        4.6920051960
  H         4.5098923408       -2.6606469002        4.6254049600
  H         4.2220391435        0.2702380990        1.2680794551
  H         5.7675189284        2.7036728694        2.2930933243
  H         4.0832561454        2.3517593845        2.6912573860
  H         4.2271689109        3.9119724031        0.7249870227
  H         3.4821806173        2.3838325189        0.2700700334
  H         6.3822410726        3.2388927001       -0.2657248617
  H         5.1152076298        3.0171870111       -1.4653317294
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 Rh        14.7184019915       19.6361431501       14.9746273475
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 Rh         5.9648359725       10.0625209591       14.9861672650
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  C         5.7257575297       10.4811657866        2.9504399392
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  F         2.6879043403        7.1589462392        9.5352753563
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  F         0.1934248424        5.0738047662        4.3299619924
  F         0.6515066474        6.7256286944        2.9276007019
  C         5.3465682568       10.2445578543        6.2143831840
  C         5.9080605267        9.1879558566        6.9373122687
  C         6.8585477209        9.3843174708        7.9399219118
  C         7.3128980821       10.6698856856        8.2503117790
  C         6.8158213490       11.7409661296        7.4913432956
  C         5.8514283403       11.5262751785        6.4949037099
  C         7.3333891612       13.1426060739        7.6991863258
  F         7.8474231126       13.3439341906        8.9474380204
  F         6.3554090705       14.0813983188        7.4845402597
  F         8.3394623812       13.4807397301        6.8170759503
  C         7.2735755613        8.1347023504        8.6600506972
  F         8.4342449378        8.2300343186        9.3837585033
  F         7.4256329873        7.0994269523        7.7768566400
  F         6.2865869032        7.7321199120        9.5347214519
  C         3.2255734244       11.1349802293        4.7892599370
  C         2.6259070483       11.2848156047        3.5304946151
  C         1.6676236489       12.2673501743        3.2883430488
  C         1.2759400437       13.1686199892        4.2789221637
  C         1.8552252670       13.0306350293        5.5386582774
  C         2.7956280127       12.0216726272        5.7936627152
  C         1.1064427269       12.3799435488        1.9154555017
  F         1.0156895382       11.1554029693        1.3116835662
  F         1.8933995349       13.1556518137        1.0971041148
  F        -0.1571591316       12.9028340920        1.9033514999
  C         6.8217967372        6.4133651531        2.2177993470
  F         7.6155405366        6.2389118000        1.1138174215
  F         7.4986647599        5.8846755625        3.2978765864
  F         5.7123565833        5.6253339402        2.0530202810
  F         0.7128056966       15.0292036318        6.2353873753
  F         0.8947319430       13.3789917506        7.6962845801
  F         2.6780577598       14.5683543260        7.1195649493
  C         1.5259185999       13.9963184513        6.6379050837
  H         7.7197220389        8.6084572074        0.8913431218
  H         5.1175818646        7.3419460550        4.0704345795
  H         5.4633787538       11.5248328403        3.1184662800
  H         2.8119174904        7.9413526327        3.5971385289
  H         0.5887497106        5.9719283428        6.7141624780
  H         3.2914120655        9.1865411310        7.6796352387
  H         5.5898242228        8.1711786475        6.7167901740
  H         8.0435722260       10.8351273418        9.0352976131
  H         5.4755743064       12.3852843573        5.9416021456
  H         2.9042820550       10.6117719042        2.7213572176
  H         0.5554811640       13.9524889516        4.0720215416
  H         3.2046427876       11.9346194355        6.8000840003
  F         9.9829657257        8.3888300957       18.4855515422
  C        11.2759254582        8.6562686182       18.8868702084
  F        11.9351636152        7.4694127148       18.8445087697
  F        11.2164896126        9.0175416704       20.2229936134
  C        11.8827218324        9.7252584969       18.0217212750
  C        11.4350315551       11.0390215371       18.1989283784
  C        11.8874589224       12.0126087062       17.3086974676
  C        12.7685458118       11.6835266058       16.2697392196
  C        13.2452947382       10.3743913690       16.0785163111
  C        12.7682260514        9.4037351449       16.9851467749
  B        14.1567919999        9.9818733900       14.7700350284
  C        15.1614430391       11.1873430167       14.3003364402
  C        15.7664527128       12.0543229211       15.2257452501
  C        16.7025415031       13.0208736555       14.8374544349
  C        17.0862738722       13.1519098400       13.4978607676
  C        16.5055959977       12.2881539932       12.5613731330
  C        15.5660785944       11.3302166229       12.9597468680
  C        16.8420626515       12.3977803860       11.0970923840
  F        17.8574044200       13.2701588471       10.8524677746
  F        15.7542445610       12.8160668311       10.3458115666
  F        17.2355002190       11.1909951067       10.5614120753
  C        17.2391148159       13.9422937951       15.8969356362
  F        16.2461655334       14.6726461060       16.4976164278
  F        18.1483072219       14.8385397102       15.4058928029
  F        17.8386907384       13.2542146819       16.9339082858
  C        13.0506435605        9.6441706890       13.5972908495
  C        12.4468967363       10.6740727283       12.8462371173
  C        11.4645816341       10.4129056909       11.8813758089
  C        11.0389838053        9.1077940857       11.6331639126
  C        11.6026376053        8.0756249354       12.3851658955
  C        12.5817932605        8.3396928090       13.3486991009
  C        11.0273747091        6.6991199261       12.2312732399
  F        10.4971358278        6.4947448836       10.9940316205
  F        11.9229627251        5.6911633325       12.4653511205
  F        10.0061957347        6.4974681761       13.1315019723
  C        10.9011514017       11.5266740912       11.0445084311
  F         9.7394594022       11.1778186500       10.4117099116
  F        10.6242128865       12.6599642877       11.7438042479
  F        11.7665093887       11.8876391600       10.0458632760
  C        15.1935393748        8.7429931061       15.0509151342
  C        15.8580261016        8.5677775719       16.2868007627
  C        16.8097385327        7.5580120921       16.4642896063
  C        17.1145102403        6.6669318538       15.4321675667
  C        16.4831488938        6.8314994435       14.2072689958
  C        15.5617340064        7.8668944819       14.0133018863
  C        17.4842572427        7.2667540359       17.7707968508
  F        17.6135547164        8.3291069681       18.6224191297
  F        16.7936503000        6.3143129406       18.4808070712
  F        18.7594404538        6.7891775983       17.5408835593
  C        11.3916798529       13.4255121880       17.4300114534
  F        10.7858735678       13.6683497759       18.6257850407
  F        10.4811910696       13.7341819948       16.4318677099
  F        12.4021620100       14.3402706712       17.3058192059
  F        17.6308890162        4.8723499145       13.4878205913
  F        17.3767828748        6.5268724756       12.0283248992
  F        15.6563542538        5.2696572107       12.6112136805
  C        16.7877908773        5.8810465125       13.0910413078
  H        10.7397090831       11.2940570892       18.9936683900
  H        13.0865835290       12.4717970649       15.5886100105
  H        13.0814315417        8.3679605095       16.8698421057
  H        15.4995214010       11.9821230731       16.2792096237
  H        17.7983179851       13.9128712930       13.1933573110
  H        15.1341431977       10.6811804236       12.1997166170
  H        12.7468484293       11.7079162820       13.0169330516
  H        10.2701669706        8.9005806545       10.8949615332
  H        12.9834334821        7.5064333479       13.9220600706
  H        15.6317350895        9.2318748366       17.1201695145
  H        17.8222747806        5.8608257033       15.5873809203
  H        15.1158710080        7.9845302543       13.0264842500
  F         2.7315331029       18.6321193584       20.1003156468
  C         2.7324325419       18.2918178059       18.7683830805
  F         1.4089268151       18.0789007783       18.4742762165
  F         3.3588156771       17.0873455964       18.6322268173
  C         3.3432467318       19.3562514340       17.9116369211
  C         4.1837518046       19.0330084216       16.8416471302
  C         4.6923773407       20.0189276614       15.9735344142
  C         4.2733787738       21.3380333489       16.2213161339
  C         3.4397401676       21.6639658573       17.2992269766
  C         2.9711241079       20.6789262415       18.1643013338
  C         2.9237216063       23.0645016012       17.4347767206
  F         2.3000166490       23.2922726273       18.6241655736
  F         3.9022371617       24.0241150787       17.3053793995
  F         1.9925788161       23.2935706618       16.4318367468
  B         5.6125705816       19.6391060146       14.6705388676
  C         6.6530417174       18.4150957156       14.9684768820
  C         7.2703255601       18.2819422997       16.2246415424
  C         8.2429474623       17.3090242838       16.4683916136
  C         8.6406497010       16.4167109326       15.4723691415
  C         8.0500628684       16.5429710862       14.2155379177
  C         7.0886394195       17.5305517766       13.9657316152
  C         8.4234971056       15.5966487019       13.1143910026
  F         7.3129798251       15.0305429321       12.5391080409
  F         9.2158776973       14.5689545275       13.5620713518
  F         9.1080878291       16.2276485818       12.1007130748
  C         8.7833878225       17.1552316614       17.8520388344
  F         8.9101474678       18.3674023875       18.4839601876
  F        10.0142643364       16.5640386597       17.8927819749
  F         7.9539613226       16.3793570177       18.6302629391
  C         6.6309296488       20.8536238919       14.2669335448
  C         7.2095119923       21.7023400855       15.2294728728
  C         8.1643811763       22.6670843567       14.8890438949
  C         8.5947832335       22.8182752830       13.5674437490
  C         8.0404673848       21.9751350099       12.6042411231
  C         7.0845307901       21.0145542595       12.9478657680
  C         8.4044818060       22.1125804889       11.1580151192
  F         8.8235856537       20.9057446348       10.6311421437
  F         9.3805167765       23.0322378728       10.9267084613
  F         7.3249025917       22.5146966424       10.4081854200
  C         8.6820536439       23.5854526734       15.9562862766
  F         9.6017658194       24.4690936205       15.4764413419
  F         7.6876691789       24.3578446284       16.5044965071
  F         9.2705506883       22.8896873899       17.0027229647
  C         4.5432111916       19.2826280169       13.4797977145
  C         4.0532637676       17.9796265142       13.2694669817
  C         3.0840706912       17.6954365006       12.2961003861
  C         2.5608602616       18.7112360205       11.4953223652
  C         3.0190255681       20.0178880708       11.7018897370
  C         3.9803519031       20.2954954279       12.6771789951
  C         2.3993131105       21.1145671348       10.8860893194
  F         2.3720503525       20.7827275972        9.5415876516
  F         1.0900686969       21.3346006167       11.2600011752
  F         3.0364401210       22.3172927732       10.9977983934
  C         2.5090270377       16.3089592245       12.1876970844
  F         1.9324273881       16.0520320112       10.9845071203
  F         3.4284710256       15.3142188774       12.3964933510
  F         1.5225041956       16.1210907790       13.1305138530
  H         4.4394009726       17.9892835651       16.6734827913
  H         4.5973969334       22.1361363459       15.5540124054
  H         2.3142215809       20.9309104272       18.9927727695
  H         6.9885053265       18.9535740956       17.0341199035
  H         9.3727946176       15.6419427483       15.6757463099
  H         6.6675993658       17.6026100835       12.9639722440
  H         6.9061852605       21.6192845300       16.2723292515
  H         9.3217911652       23.5769717332       13.2960115473
  H         6.6814024994       20.3788403080       12.1613281177
  H         4.4312224851       17.1606647286       13.8801090556
  H         1.8098755857       18.4923052397       10.7402600761
  H         4.2999549214       21.3270066053       12.8135070432
  F        15.6183867111        1.2752843962       -0.2928914024
  C        15.6620067590        1.6682415160        1.0287183113
  F        16.9914509642        1.8961507233        1.3186718891
  F        15.0494722656        2.8842236955        1.1012254166
  C        15.0732314296        0.6118504385        1.9262354445
  C        14.2312783937        0.9250833521        3.0002861469
  C        13.7363590888       -0.0704789750        3.8715533947
  C        14.1786841504       -1.3823256287        3.6378331451
  C        15.0055408278       -1.7034682545        2.5572483412
  C        15.4534865838       -0.7142524911        1.6813206478
  C        15.4680216712       -3.1193477172        2.3840709321
  F        16.0485536369       -3.3176535467        1.1716864276
  F        14.4479862093       -4.0415133162        2.4967013919
  F        16.4092224969       -3.4512788787        3.3550410073
  B        12.7899145587        0.2693151689        5.1635357399
  C        11.7352339721        1.4790172381        4.8497785077
  C        11.1251216207        1.5905049621        3.5849414674
  C        10.1456615612        2.5517581684        3.3209339694
  C         9.7307952712        3.4519527137        4.3070824606
  C        10.3167501820        3.3505686005        5.5663096370
  C        11.2897947074        2.3770130306        5.8340546903
  C         9.9543100405        4.3104700257        6.6598485345
  F        11.0920331996        4.8777295123        7.1884894517
  F         9.1368539793        5.3315740463        6.2381259195
  F         9.3074110227        3.6817446365        7.6995194379
  C         9.6235533173        2.7182169852        1.9292884133
  F         9.4969669905        1.5332055268        1.2492860459
  F         8.4030587512        3.3408012910        1.9038545464
  F        10.4693257325        3.4748372222        1.1645882664
  C        11.7916987103       -0.9687596196        5.5547616727
  C        11.2547039653       -1.8471859352        4.5956835472
  C        10.2946395116       -2.8095219496        4.9280754866
  C         9.8224519526       -2.9362195220        6.2374984703
  C        10.3416199262       -2.0717048969        7.1997842924
  C        11.3023861834       -1.1104731390        6.8646360490
  C         9.9455178422       -2.1880446304        8.6400560103
  F         9.5857014313       -0.9741414880        9.1688619396
  F         8.9072531657       -3.0503847421        8.8704278067
  F        11.0137960715       -2.6145444392        9.3931585052
  C         9.7524212357       -3.6990210323        3.8500578203
  F         8.8178407437       -4.5676290270        4.3253634474
  F        10.7198896488       -4.4530054967        3.2283278140
  F         9.1414831839       -2.9678289364        2.8549099245
  C        13.8522827339        0.6116570596        6.3609509380
  C        14.3434076823        1.9101982209        6.5731941684
  C        15.3245075641        2.1859980190        7.5349642976
  C        15.8645372458        1.1727450981        8.3235356656
  C        15.4103230086       -0.1327976652        8.1072727206
  C        14.4307298106       -0.4057998426        7.1476439198
  C        16.0231629309       -1.2295513593        8.9246486769
  F        16.0415413292       -0.8762330385       10.2636067376
  F        17.3293832571       -1.4916781265        8.5811360337
  F        15.3722412083       -2.4175850488        8.8050877703
  C        15.8732677741        3.5763720538        7.6243847421
  F        16.4776966533        3.8584141518        8.8119875018
  F        14.9133206406        4.5290944749        7.4086657358
  F        16.8286066478        3.7875436489        6.6605277176
  H        13.9567610714        1.9660646167        3.1653960700
  H        13.8699220393       -2.1802082706        4.3123174721
  H        16.0944693951       -0.9657641720        0.8409032340
  H        11.4211641544        0.9121625317        2.7856953432
  H         8.9898009664        4.2159427480        4.0921606102
  H        11.7136620033        2.3318867745        6.8361818182
  H        11.5876477566       -1.7839985321        3.5603774386
  H         9.0860331296       -3.6881712919        6.5014264168
  H        11.6758401500       -0.4533925167        7.6488516036
  H        13.9598856756        2.7353144587        5.9752697235
  H        16.6183275911        1.3912366441        9.0762715803
  H        14.1120621803       -1.4373494632        7.0088832815
  H        10.8047566967       11.7703507371        4.7531022749
  H        11.6086359502       10.0684335707        3.1367624634
     646
 i =      107, E =         0.0006127883
 Rh         3.6412027499        0.2383031600        4.8193506278
  P         5.3873709605        0.6383416438        6.2850278127
  C         5.2295956537       -0.3005084928        7.8722308449
  C         4.8317818824       -1.7744242174        7.6665615551
  C         4.5354550446       -2.4341315242        9.0238086142
  C         5.7208559626       -2.3102270259        9.9918166924
  C         6.1877667095       -0.8547489973       10.1415223757
  C         6.4638810536       -0.1920181125        8.7812860884
  C         5.6706622977        2.4054880970        6.8034025528
  C         4.6416588394        2.8188910842        7.8799702985
  C         4.6198290193        4.3295418065        8.1675069708
  C         4.5392679057        5.1604655967        6.8840956837
  C         5.6995800710        4.8024021125        5.9531798922
  C         5.6263342626        3.3211843622        5.5613824554
  C         6.9996069855        0.0922524178        5.5188561013
  C         6.9712818241        0.2293209088        3.9879329283
  P         5.3085092959       -0.2370068703        3.2911519971
  C         5.4611540062       -2.0244340769        2.7871905874
  C         4.3687376045       -2.4027693592        1.7671403024
  C         4.3790679113       -3.9025258312        1.4528998531
  C         4.2418070511       -4.7480166789        2.7209743488
  C         5.3719397781       -4.4253472322        3.7032788506
  C         5.4073184518       -2.9253395277        4.0427565415
  C         5.1343768173        0.7063011742        1.7075126792
  C         4.8573814894        2.2069966032        1.9229101346
  C         4.4313698014        2.8409566008        0.5878759416
  C         5.4935298636        2.6373689302       -0.5043459524
  C         5.9000537250        1.1611570946       -0.6492377666
  C         6.2831567793        0.5249630732        0.7004073221
  C         1.8811562538        0.3157923621        3.4706174175
  C         1.9074446429       -0.9353681519        4.0931028854
  C         1.0732761535       -0.8089707326        5.3816670218
  C         1.9405602064        0.1212364175        6.2565973850
  C         1.9125577494        1.3722798035        5.6388984302
  C         1.0286230773        1.2256592086        4.3834312724
  C        -0.0111154027        0.1938850516        4.9009357793
  H         4.3839822773        0.2001980661        8.3724434825
  H         5.6473424494       -2.3149653489        7.1631788741
  H         3.9563228965       -1.8419093028        7.0031165444
  H         4.2705501364       -3.4910597939        8.8783566738
  H         3.6500580928       -1.9520237783        9.4633615316
  H         5.4439347438       -2.7188707219       10.9745441526
  H         6.5562243153       -2.9248985225        9.6299432906
  H         7.0963960785       -0.8036665053       10.7595604827
  H         5.4100773783       -0.2768147790       10.6652597225
  H         6.7627014084        0.8542428716        8.9276052054
  H         7.3123996509       -0.6914527237        8.2960179064
  H         6.6823363870        2.4581981819        7.2375744390
  H         4.8518769898        2.2815267549        8.8146314021
  H         3.6376012316        2.5008269724        7.5662360753
  H         5.5274144229        4.6143109718        8.7187193531
  H         3.7718149022        4.5506370768        8.8316824476
  H         4.5423447889        6.2312389546        7.1304362855
  H         3.5875826079        4.9697578803        6.3660221009
  H         6.6529720758        5.0061761175        6.4599497736
  H         5.6913144135        5.4210422703        5.0466315219
  H         6.4467245156        3.0673939053        4.8740081753
  H         4.6907429834        3.1351700235        5.0088016539
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  F         6.4848948857       12.3775591774        1.0307538958
  F         7.3491257090       10.8243977342       -0.2350082537
  C         6.6288164008       10.1720407914        1.9282902827
  C         7.0098112779        8.8497813565        1.6772037204
  C         6.4465611480        7.8477609496        2.4602210069
  C         5.5342410905        8.1588889489        3.4822805473
  C         5.1497590000        9.4825144250        3.7667139990
  C         5.7258818251       10.4811039713        2.9507603673
  B         4.2380744416        9.8957211387        5.0743725775
  C         3.2178066834        8.7075024171        5.5729463250
  C         2.5802484968        7.8565987614        4.6583211939
  C         1.6555362562        6.8807350924        5.0598136579
  C         1.2927318882        6.7371821130        6.4003488126
  C         1.8913425826        7.6027559210        7.3247452666
  C         2.8346520412        8.5552527642        6.9188261457
  C         1.5832483788        7.5051448752        8.7981529635
  F         0.6313010618        6.5806883854        9.0901194806
  F         2.6867766946        7.1596927333        9.5335108315
  F         1.1757057348        8.7167147192        9.3106933353
  C         1.1544084014        5.9758764795        3.9688856517
  F         2.1802269637        5.2397886693        3.4412914597
  F         0.1940447474        5.0743592108        4.3299281396
  F         0.6517170206        6.7255351145        2.9280326746
  C         5.3465240194       10.2447860333        6.2145609653
  C         5.9077296744        9.1880224050        6.9375815334
  C         6.8586025046        9.3844560012        7.9401637876
  C         7.3129171547       10.6700303666        8.2503018715
  C         6.8157245049       11.7406750351        7.4912113932
  C         5.8517176970       11.5261727869        6.4949827886
  C         7.3334342038       13.1426585082        7.6992648743
  F         7.8474454305       13.3442038716        8.9472718623
  F         6.3555535950       14.0814040874        7.4845732325
  F         8.3394123599       13.4808173363        6.8171713988
  C         7.2735747419        8.1346074887        8.6602241999
  F         8.4341536657        8.2300430319        9.3836751850
  F         7.4256187388        7.0994427736        7.7768618474
  F         6.2866709777        7.7321504298        9.5346135507
  C         3.2253741578       11.1355579937        4.7892412184
  C         2.6264523740       11.2845699355        3.5307393963
  C         1.6672097122       12.2678050286        3.2883809885
  C         1.2762996456       13.1679662707        4.2792883969
  C         1.8550845494       13.0307219066        5.5382942466
  C         2.7961101639       12.0216229143        5.7935033502
  C         1.1063758743       12.3799332607        1.9152262796
  F         1.0157071596       11.1553427268        1.3117833155
  F         1.8934121569       13.1556541971        1.0972676598
  F        -0.1571269774       12.9028420359        1.9035973655
  C         6.8218285284        6.4132165434        2.2177444061
  F         7.6154861345        6.2389673890        1.1138654457
  F         7.4986080590        5.8847420892        3.2978750342
  F         5.7123628175        5.6253904300        2.0530887167
  F         0.7128008810       15.0291531081        6.2354991223
  F         0.8947989935       13.3790597635        7.6962092673
  F         2.6779322749       14.5682460756        7.1195584041
  C         1.5258967752       13.9964454190        6.6380519003
  H         7.7187354038        8.6083614962        0.8905714128
  H         5.1182179203        7.3420050823        4.0710669498
  H         5.4638178554       11.5249448082        3.1188371261
  H         2.8123932297        7.9410310859        3.5968957070
  H         0.5891976304        5.9723578638        6.7139739428
  H         3.2907922760        9.1869974948        7.6795590602
  H         5.5892658548        8.1712113322        6.7174025784
  H         8.0436579457       10.8351207923        9.0353059122
  H         5.4759654476       12.3852600225        5.9412634609
  H         2.9044525637       10.6119535112        2.7212581866
  H         0.5547691107       13.9524357974        4.0720685160
  H         3.2050971550       11.9351164978        6.7998395159
  F         9.9829339883        8.3888258135       18.4855021295
  C        11.2759317039        8.6563062630       18.8869447731
  F        11.9351816248        7.4694391099       18.8445193324
  F        11.2165431850        9.0174925246       20.2229156232
  C        11.8826630752        9.7251146721       18.0217891419
  C        11.4351639024       11.0390795232       18.1990363566
  C        11.8875694440       12.0127034348       17.3086576630
  C        12.7685692463       11.6833990226       16.2698602066
  C        13.2452038517       10.3745134695       16.0784845049
  C        12.7680917585        9.4036892195       16.9849004321
  B        14.1565466293        9.9820030009       14.7699823036
  C        15.1613816702       11.1873615156       14.3004746374
  C        15.7662862265       12.0544907301       15.2256745356
  C        16.7024257356       13.0208765391       14.8374467186
  C        17.0862686186       13.1519160166       13.4979110690
  C        16.5056891273       12.2881480787       12.5612044712
  C        15.5662040392       11.3301475489       12.9597407971
  C        16.8419121200       12.3977201388       11.0970765708
  F        17.8574665591       13.2702133286       10.8525230665
  F        15.7543177784       12.8160419958       10.3459108439
  F        17.2355119003       11.1910044893       10.5614524276
  C        17.2390945584       13.9423144085       15.8969409344
  F        16.2461384607       14.6726557944       16.4976110958
  F        18.1483417378       14.8385912386       15.4058576340
  F        17.8386888443       13.2541811889       16.9338984018
  C        13.0507496598        9.6444538081       13.5975047878
  C        12.4469741108       10.6741886494       12.8462876128
  C        11.4645424087       10.4128742992       11.8811904758
  C        11.0391241252        9.1076432133       11.6329068367
  C        11.6024939365        8.0755169391       12.3851035439
  C        12.5813230054        8.3397643329       13.3487100038
  C        11.0274373895        6.6992462381       12.2312826977
  F        10.4971663217        6.4947648876       10.9941296699
  F        11.9228924607        5.6911893618       12.4653462729
  F        10.0062291919        6.4974741584       13.1314395076
  C        10.9013163078       11.5265614637       11.0446772682
  F         9.7391656079       11.1775581744       10.4114969984
  F        10.6239417541       12.6603066636       11.7441529239
  F        11.7669313584       11.8874430825       10.0452735127
  C        15.1936622364        8.7425528771       15.0505590966
  C        15.8580747557        8.5675950871       16.2867955777
  C        16.8096573248        7.5582252410       16.4644153308
  C        17.1146516746        6.6670098332       15.4321298328
  C        16.4826872460        6.8319765156       14.2072520762
  C        15.5615248124        7.8668625985       14.0132085243
  C        17.4842751168        7.2667464639       17.7706684168
  F        17.6135406278        8.3289858533       18.6223360237
  F        16.7937384116        6.3144140263       18.4808197952
  F        18.7593197129        6.7892700245       17.5409202958
  C        11.3916930066       13.4254515527       17.4300058671
  F        10.7858021175       13.6683600571       18.6259155519
  F        10.4811651009       13.7341240328       16.4318482026
  F        12.4022418199       14.3403042366       17.3058237775
  F        17.6304867920        4.8720091956       13.4875652126
  F        17.3765092557        6.5266465977       12.0285817176
  F        15.6568993963        5.2692063815       12.6115201747
  C        16.7879426464        5.8812301935       13.0906546600
  H        10.7399850361       11.2941003082       18.9939532826
  H        13.0867041194       12.4718775053       15.5887144385
  H        13.0809700130        8.3678496138       16.8694662846
  H        15.4991660415       11.9824680302       16.2790720544
  H        17.7983473969       13.9128562432       13.1933116469
  H        15.1343867676       10.6808831883       12.1996994931
  H        12.7468339511       11.7078580636       13.0168570467
  H        10.2707489903        8.9005308904       10.8945533632
  H        12.9829879172        7.5064298681       13.9227180991
  H        15.6315698685        9.2318941057       17.1203029758
  H        17.8225605688        5.8609763724       15.5872837322
  H        15.1157433633        7.9843319242       13.0268063551
  F         2.7319087045       18.6332383909       20.1003439030
  C         2.7324466298       18.2912303096       18.7687714479
  F         1.4086031134       18.0793304031       18.4736174188
  F         3.3595110843       17.0875201490       18.6314562905
  C         3.3427637019       19.3558705019       17.9120591801
  C         4.1836242484       19.0332182230       16.8417048478
  C         4.6927563264       20.0194489122       15.9729794633
  C         4.2735547328       21.3380485331       16.2213817905
  C         3.4398431773       21.6640347007       17.2990047902
  C         2.9707388547       20.6792235417       18.1643190609
  C         2.9236709508       23.0646256470       17.4348893879
  F         2.2998340078       23.2921035312       18.6243122563
  F         3.9023341416       24.0240196287       17.3052481116
  F         1.9925475530       23.2934935549       16.4317417297
  B         5.6124127518       19.6390017010       14.6708338836
  C         6.6529888589       18.4148711978       14.9685007283
  C         7.2700234031       18.2819463768       16.2246597604
  C         8.2430719263       17.3089118660       16.4685251251
  C         8.6406725313       16.4168794193       15.4721644940
  C         8.0500843311       16.5429162438       14.2156183155
  C         7.0884903339       17.5303845775       13.9659357804
  C         8.4235209177       15.5966597416       13.1144255142
  F         7.3129144907       15.0304517333       12.5391728427
  F         9.2158249212       14.5689594039       13.5620701330
  F         9.1081411291       16.2276800272       12.1007137605
  C         8.7833911644       17.1552328151       17.8520221631
  F         8.9100914491       18.3673798841       18.4839562508
  F        10.0142712403       16.5640371609       17.8927877526
  F         7.9539394197       16.3793816599       18.6302652523
  C         6.6310374942       20.8535460704       14.2670292933
  C         7.2096116389       21.7020872127       15.2294714155
  C         8.1643711268       22.6670600158       14.8891141814
  C         8.5947115129       22.8184628035       13.5674354655
  C         8.0404871486       21.9751760592       12.6040743758
  C         7.0845154566       21.0144298974       12.9479636582
  C         8.4044330753       22.1125589994       11.1580716268
  F         8.8235759351       20.9057396823       10.6311658263
  F         9.3805087656       23.0322495774       10.9268022337
  F         7.3248397205       22.5147002168       10.4082044662
  C         8.6820569284       23.5854323654       15.9562673022
  F         9.6017316110       24.4690730365       15.4764736689
  F         7.6876642854       24.3578327384       16.5045216579
  F         9.2705233101       22.8896896447       17.0027317670
  C         4.5430577794       19.2826366663       13.4797063138
  C         4.0533216781       17.9796339147       13.2695757777
  C         3.0840369051       17.6952805873       12.2961874560
  C         2.5606875492       18.7112650054       11.4953135930
  C         3.0190443978       20.0179484032       11.7020248115
  C         3.9803272570       20.2954331266       12.6772998372
  C         2.3992370557       21.1148088333       10.8861305628
  F         2.3719951671       20.7826193614        9.5415602459
  F         1.0901395085       21.3345459800       11.2601018553
  F         3.0363609067       22.3170958530       10.9979385857
  C         2.5090476773       16.3091158294       12.1876828204
  F         1.9323519945       16.0519793730       10.9844475001
  F         3.4285454837       15.3141125655       12.3965600281
  F         1.5224173334       16.1210381620       13.1306207658
  H         4.4394279886       17.9888340255       16.6734025825
  H         4.5976666691       22.1359738814       15.5544697764
  H         2.3138706166       20.9307207570       18.9923451947
  H         6.9882976275       18.9532834879       17.0341912516
  H         9.3732004030       15.6421394826       15.6756526951
  H         6.6672539488       17.6022959622       12.9640464865
  H         6.9064809848       21.6189417441       16.2724112221
  H         9.3213769524       23.5771539230       13.2959670019
  H         6.6814413071       20.3786969111       12.1613088363
  H         4.4311707785       17.1606665762       13.8800466087
  H         1.8096760544       18.4923440609       10.7404262779
  H         4.2998573549       21.3269919509       12.8135856173
  F        15.6186604421        1.2749707246       -0.2928462384
  C        15.6619859186        1.6682907414        1.0285807367
  F        16.9913587565        1.8961715279        1.3186892663
  F        15.0495024580        2.8843092017        1.1015894503
  C        15.0732781189        0.6118637193        1.9262797394
  C        14.2311282271        0.9249617534        2.9999659888
  C        13.7360207910       -0.0704709847        3.8713840710
  C        14.1783400691       -1.3824675245        3.6376254310
  C        15.0056268889       -1.7036511399        2.5571530265
  C        15.4537924418       -0.7140754626        1.6814676218
  C        15.4680570911       -3.1193569384        2.3841385126
  F        16.0485513639       -3.3176253348        1.1716357671
  F        14.4479819660       -4.0414766997        2.4966818418
  F        16.4091891544       -3.4512106511        3.3550036677
  B        12.7898490811        0.2692779278        5.1633179743
  C        11.7352710559        1.4791337620        4.8495022294
  C        11.1251725970        1.5906858053        3.5848018154
  C        10.1458251870        2.5518532768        3.3210358759
  C         9.7309032093        3.4522092886        4.3070184159
  C        10.3168833802        3.3506283790        5.5661992337
  C        11.2899396262        2.3771355405        5.8338342131
  C         9.9537648049        4.3103504242        6.6597566561
  F        11.0923330642        4.8781354916        7.1887266465
  F         9.1365925092        5.3315778394        6.2380393067
  F         9.3072912455        3.6816557037        7.6994353812
  C         9.6234832892        2.7182839231        1.9291231253
  F         9.4968568835        1.5333766391        1.2493806239
  F         8.4030957944        3.3406398152        1.9038281719
  F        10.4692968264        3.4748534715        1.1645665092
  C        11.7914828938       -0.9685443105        5.5545742547
  C        11.2542319965       -1.8469336348        4.5954461704
  C        10.2944824270       -2.8094262113        4.9280207046
  C         9.8225237998       -2.9362372679        6.2374870082
  C        10.3415888238       -2.0716641109        7.1997510517
  C        11.3021759986       -1.1104249558        6.8645773916
  C         9.9455179355       -2.1880191395        8.6400393722
  F         9.5857573887       -0.9741090209        9.1688542168
  F         8.9072411925       -3.0504316628        8.8704002616
  F        11.0138216784       -2.6145354639        9.3931526667
  C         9.7524234533       -3.6989203676        3.8500551487
  F         8.8177581365       -4.5677184911        4.3253842911
  F        10.7198897148       -4.4530376615        3.2283194260
  F         9.1414477054       -2.9678303220        2.8548649707
  C        13.8521914125        0.6114843968        6.3605975637
  C        14.3434258306        1.9099968202        6.5729648343
  C        15.3243891830        2.1861201129        7.5343293136
  C        15.8647830831        1.1727775620        8.3230418714
  C        15.4103437617       -0.1329887873        8.1069815547
  C        14.4305987895       -0.4058714614        7.1475082693
  C        16.0231873151       -1.2294692653        8.9245510067
  F        16.0415405556       -0.8762076891       10.2635635799
  F        17.3294162373       -1.4916729451        8.5811024517
  F        15.3721782805       -2.4176819864        8.8050408145
  C        15.8736931082        3.5766016988        7.6251464542
  F        16.4769937868        3.8581126137        8.8106433973
  F        14.9136491559        4.5290073609        7.4085365687
  F        16.8284928909        3.7876733039        6.6605770765
  H        13.9563185317        1.9660347174        3.1650398646
  H        13.8693202303       -2.1802934743        4.3118058317
  H        16.0951944386       -0.9656497683        0.8413530903
  H        11.4212361003        0.9124509640        2.7853545776
  H         8.9900857542        4.2160445800        4.0923507534
  H        11.7139851290        2.3317445012        6.8361228033
  H        11.5868643753       -1.7833975000        3.5601598969
  H         9.0861985939       -3.6883923755        6.5014919376
  H        11.6757462090       -0.4532464560        7.6487225686
  H        13.9596309012        2.7352135031        5.9747497711
  H        16.6187492217        1.3912927062        9.0753461461
  H        14.1117086287       -1.4373424027        7.0089789417
  H        10.8046835882       11.7704867047        4.7520326917
  H        11.6081668886       10.0679205599        3.1364233713
     646
 i =      108, E =         0.0053747795
 Rh         3.6415111155        0.2384346608        4.8194810240
  P         5.3875244178        0.6383463748        6.2852247774
  C         5.2295899618       -0.3009739622        7.8722195901
  C         4.8322419393       -1.7749824031        7.6662489077
  C         4.5354200528       -2.4346701024        9.0234284671
  C         5.7207771594       -2.3110744668        9.9915031841
  C         6.1876303157       -0.8556108863       10.1415593549
  C         6.4636565800       -0.1924011854        8.7815076575
  C         5.6705755110        2.4055362798        6.8037444077
  C         4.6412105261        2.8191413035        7.8798342623
  C         4.6205593825        4.3297067457        8.1676947116
  C         4.5395880789        5.1607523307        6.8844148081
  C         5.6991831480        4.8025276725        5.9526620079
  C         5.6265842635        3.3210637069        5.5615664253
  C         6.9997768010        0.0923856133        5.5190519646
  C         6.9715476712        0.2294100131        3.9881046194
  P         5.3087239269       -0.2370147280        3.2913857319
  C         5.4618804420       -2.0243840587        2.7875140100
  C         4.3699374170       -2.4026999080        1.7669553040
  C         4.3793002928       -3.9025810071        1.4533485750
  C         4.2421392073       -4.7477738171        2.7216459880
  C         5.3726543512       -4.4251766200        3.7035202515
  C         5.4078145622       -2.9252205359        4.0430977989
  C         5.1337222883        0.7060508112        1.7076576740
  C         4.8564597249        2.2066664735        1.9230668515
  C         4.4312871553        2.8410777747        0.5879715395
  C         5.4940249141        2.6376500672       -0.5036916615
  C         5.8996526546        1.1612631075       -0.6491208264
  C         6.2821756656        0.5243364037        0.7003176168
  C         1.8814584424        0.3158851824        3.4706942558
  C         1.9076728674       -0.9351389387        4.0934213391
  C         1.0736006451       -0.8083281629        5.3820683458
  C         1.9409917741        0.1219811318        6.2567205033
  C         1.9130944630        1.3728936468        5.6386783040
  C         1.0290752753        1.2260903229        4.3833485108
  C        -0.0107314419        0.1945190801        4.9011443779
  H         4.3837086326        0.1993920628        8.3723118351
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  H        13.9017424654       10.3179596519       -1.1772882672
  H        15.6128965797       10.6032040385       -1.5170374177
  H        13.2855868542        9.6938747611        8.2476893643
  H        12.9224289058        7.5829881371        6.9655023117
  H        14.6062962048        7.1321086591        7.2274569378
  H        13.0911233806        6.0861903509        8.9533522673
  H        12.5366789788        7.6872700864        9.4284637913
  H        14.2978273744        6.9056909611       11.0067935916
  H        15.4129947171        6.6418494472        9.6735771098
  H        15.9558617869        8.8059155111       10.7345821180
  H        14.2728250662        9.3346268087       10.5981171338
  H        16.2272866412        8.8540238773        8.2825171222
  H        15.6231984017       10.4061584965        8.8484203396
  H        10.0485211686       10.0955794504        2.4667397551
  H        11.2068976706        9.3619512831        7.1927192173
  H         9.0925267362       10.6482246727        6.4698695549
  H         8.0414091040        9.3772901868        4.3187182810
  H         8.5277987483        8.1924553083        5.5709707956
  H        10.0030768312        7.7783787649        3.3709180666
  H         9.1682426932       11.5951513428        4.1031661828
  H        11.6148223731        7.3918942611        5.3865216035
  F         8.5029450192       11.5985987125        1.4658233611
  C         7.2283837714       11.2413181659        1.0658501363
  F         6.4848589215       12.3775782956        1.0307639862
  F         7.3490829113       10.8243782775       -0.2350766259
  C         6.6286733828       10.1720362695        1.9281856063
  C         7.0091216829        8.8497367025        1.6766500163
  C         6.4465034429        7.8477499865        2.4602295000
  C         5.5347624006        8.1589485751        3.4827506591
  C         5.1500954135        9.4826248669        3.7670621728
  C         5.7262777795       10.4811991125        2.9510227914
  B         4.2382516653        9.8958318673        5.0744676676
  C         3.2176038847        8.7075570031        5.5730551178
  C         2.5805266839        7.8564375108        4.6585858218
  C         1.6557279781        6.8807625108        5.0598688804
  C         1.2926875680        6.7370737304        6.4001797497
  C         1.8912315131        7.6029275756        7.3246640449
  C         2.8343692789        8.5558076757        6.9186126778
  C         1.5830759074        7.5051870070        8.7986075991
  F         0.6313893450        6.5807725499        9.0899363221
  F         2.6866746408        7.1598010302        9.5333016421
  F         1.1758582221        8.7165416792        9.3104385810
  C         1.1544714534        5.9758307312        3.9689077923
  F         2.1802554789        5.2397674693        3.4412675266
  F         0.1940079719        5.0743527145        4.3299483344
  F         0.6517062372        6.7255760134        2.9280163769
  C         5.3464178289       10.2449760200        6.2147842877
  C         5.9073526954        9.1881876463        6.9381922290
  C         6.8585659528        9.3845886210        7.9404319924
  C         7.3130401913       10.6700924584        8.2504068463
  C         6.8158340908       11.7405830493        7.4911991965
  C         5.8519661056       11.5262539487        6.4948243971
  C         7.3334070542       13.1425244515        7.6992777672
  F         7.8475366659       13.3445020213        8.9471744433
  F         6.3556880079       14.0814825267        7.4845803600
  F         8.3394075923       13.4809452010        6.8172472032
  C         7.2735433770        8.1346576521        8.6602979417
  F         8.4341469117        8.2300311190        9.3836698335
  F         7.4256080485        7.0994225599        7.7768505545
  F         6.2866906751        7.7320947083        9.5346085822
  C         3.2257204280       11.1358368169        4.7893081660
  C         2.6264583501       11.2849689381        3.5305918294
  C         1.6673712885       12.2675117521        3.2882665039
  C         1.2758189681       13.1679637886        4.2793414522
  C         1.8554295558       13.0305672164        5.5385534248
  C         2.7964367636       12.0221959339        5.7934721458
  C         1.1062985085       12.3799762328        1.9152004522
  F         1.0157400652       11.1552319228        1.3118555846
  F         1.8935027449       13.1557151783        1.0973141169
  F        -0.1572141512       12.9028865915        1.9037688274
  C         6.8217989961        6.4132310736        2.2177338552
  F         7.6154848025        6.2389748257        1.1138559018
  F         7.4986003445        5.8847515444        3.2979084958
  F         5.7123252209        5.6253780792        2.0531256626
  F         0.7127319051       15.0292243182        6.2356351176
  F         0.8948529512       13.3791228490        7.6961959950
  F         2.6778756879       14.5681833959        7.1196089719
  C         1.5258810711       13.9964284817        6.6379293447
  H         7.7171740243        8.6081837291        0.8892519854
  H         5.1192851727        7.3422036504        4.0720636622
  H         5.4645435487       11.5250778616        3.1194536018
  H         2.8131396939        7.9405191541        3.5968339254
  H         0.5893015993        5.9723664697        6.7139161459
  H         3.2898177889        9.1877884350        7.6794279843
  H         5.5883258296        8.1712482859        6.7183798080
  H         8.0437659840       10.8351349933        9.0352613506
  H         5.4766879001       12.3850876777        5.9408037536
  H         2.9048082856       10.6121791520        2.7210800066
  H         0.5540872558       13.9518485759        4.0723017220
  H         3.2058679229       11.9359067450        6.7993964817
  F         9.9829061528        8.3888301788       18.4854443458
  C        11.2758910107        8.6562921768       18.8870687359
  F        11.9352043980        7.4694648072       18.8445290879
  F        11.2165986189        9.0174402370       20.2228139929
  C        11.8826472620        9.7250584607       18.0217569348
  C        11.4354154866       11.0390909532       18.1991831871
  C        11.8876735726       12.0127437259       17.3087288652
  C        12.7686565141       11.6834758692       16.2698962509
  C        13.2450928099       10.3745388293       16.0784299377
  C        12.7677694872        9.4036071013       16.9846235703
  B        14.1562793199        9.9821490407       14.7699481856
  C        15.1612966686       11.1873830702       14.3005559778
  C        15.7659642251       12.0547205240       15.2256514921
  C        16.7023001274       13.0209437337       14.8374191452
  C        17.0862652367       13.1519011748       13.4978826888
  C        16.5057898724       12.2881135757       12.5611114715
  C        15.5664090962       11.3300322212       12.9597619340
  C        16.8418159798       12.3977450570       11.0970164031
  F        17.8574583985       13.2701983423       10.8526139352
  F        15.7543971333       12.8160015961       10.3460205320
  F        17.2355269675       11.1909563219       10.5614726006
  C        17.2390774766       13.9423565823       15.8969497793
  F        16.2461135354       14.6726649739       16.4976027932
  F        18.1483499569       14.8386201382       15.4058344327
  F        17.8386786006       13.2541477725       16.9338705732
  C        13.0507235759        9.6447378713       13.5976879402
  C        12.4469732593       10.6742146606       12.8462539483
  C        11.4646682209       10.4126807671       11.8811123265
  C        11.0394031797        9.1075454395       11.6325138367
  C        11.6022513080        8.0754180995       12.3849583295
  C        12.5808374488        8.3399081725       13.3490088447
  C        11.0274604380        6.6993215643       12.2312912860
  F        10.4972095076        6.4948245828       10.9942275317
  F        11.9228269729        5.6912381752       12.4653543830
  F        10.0062839078        6.4975151250       13.1313675107
  C        10.9013406171       11.5267660725       11.0445213309
  F         9.7390505518       11.1773084659       10.4114414265
  F        10.6237465538       12.6604424635       11.7444395331
  F        11.7672189525       11.8871036098       10.0449583026
  C        15.1937201655        8.7421176895       15.0502729840
  C        15.8579479443        8.5675176963       16.2867550610
  C        16.8097247214        7.5582647402       16.4645087336
  C        17.1146483680        6.6673522176       15.4319511849
  C        16.4823948836        6.8322651572       14.2072612743
  C        15.5611267597        7.8668458839       14.0129854757
  C        17.4842674830        7.2667839403       17.7705507287
  F        17.6135277678        8.3288667949       18.6222623869
  F        16.7938092100        6.3145002022       18.4808188049
  F        18.7591854237        6.7893557510       17.5409417623
  C        11.3916909935       13.4254789560       17.4300482352
  F        10.7857808558       13.6683342836       18.6259589155
  F        10.4811612409       13.7340455597       16.4318471221
  F        12.4022884994       14.3403033490       17.3058335320
  F        17.6300889825        4.8716208486       13.4872622669
  F        17.3764455069        6.5265456463       12.0284146696
  F        15.6573657543        5.2686013214       12.6116907571
  C        16.7879588396        5.8814939130       13.0907178705
  H        10.7404321585       11.2941835957       18.9944164199
  H        13.0868616638       12.4719034393       15.5889627962
  H        13.0802244429        8.3676626088       16.8688352954
  H        15.4985910435       11.9830339509       16.2788391855
  H        17.7983853962       13.9128172181       13.1932590701
  H        15.1347943501       10.6804143039       12.1996978193
  H        12.7468434705       11.7078907250       13.0167489752
  H        10.2716309051        8.9004233850       10.8938162691
  H        12.9821659525        7.5065642543       13.9236762816
  H        15.6313123715        9.2318604411       17.1204271115
  H        17.8230538282        5.8611894998       15.5871178333
  H        15.1154712234        7.9840212457       13.0272261285
  F         2.7322813066       18.6344500176       20.1003133621
  C         2.7324574059       18.2905925287       18.7692342476
  F         1.4081905067       18.0797759073       18.4728993659
  F         3.3603079980       17.0876627296       18.6305614418
  C         3.3421105946       19.3556557876       17.9125142884
  C         4.1834766801       19.0335230359       16.8417107878
  C         4.6931382410       20.0199524782       15.9724737406
  C         4.2739169631       21.3381742618       16.2213620667
  C         3.4398343470       21.6641206098       17.2988864838
  C         2.9704105444       20.6793188496       18.1640000372
  C         2.9236346605       23.0647202938       17.4350114955
  F         2.2996613005       23.2919656682       18.6244399775
  F         3.9024277013       24.0239343269       17.3051126272
  F         1.9925011839       23.2934388350       16.4316186362
  B         5.6122620109       19.6388633522       14.6711279692
  C         6.6527760217       18.4146450995       14.9686068170
  C         7.2698497171       18.2816371494       16.2247623353
  C         8.2429979569       17.3089610248       16.4685076925
  C         8.6409419771       16.4170243862       15.4721399601
  C         8.0500412859       16.5428512907       14.2155653305
  C         7.0882195451       17.5300478626       13.9659989916
  C         8.4235285361       15.5966699851       13.1144426414
  F         7.3128852018       15.0303941376       12.5392633234
  F         9.2157770379       14.5689648317       13.5620649841
  F         9.1081777831       16.2277012216       12.1007433193
  C         8.7834393381       17.1551913760       17.8520593294
  F         8.9100257609       18.3673680298       18.4839433198
  F        10.0142931006       16.5640371131       17.8927994895
  F         7.9539045262       16.3794129838       18.6302647624
  C         6.6311143809       20.8532838226       14.2671446965
  C         7.2098831253       21.7018145524       15.2295847572
  C         8.1643583865       22.6669874117       14.8891109630
  C         8.5944157281       22.8185638894       13.5674145203
  C         8.0404480835       21.9752154270       12.6040713615
  C         7.0846382036       21.0143469376       12.9479799736
  C         8.4043889335       22.1125452261       11.1580524134
  F         8.8235707905       20.9057347478       10.6311913727
  F         9.3804937876       23.0322544226       10.9269132216
  F         7.3247763782       22.5147027467       10.4082248580
  C         8.6820437134       23.5853965531       15.9562868730
  F         9.6017078944       24.4690622471       15.4764908343
  F         7.6876658398       24.3578182393       16.5045383397
  F         9.2704986867       22.8896916975       17.0027382373
  C         4.5429434662       19.2825822626       13.4797256474
  C         4.0532588620       17.9796153357       13.2695770198
  C         3.0840319716       17.6953088671       12.2962840039
  C         2.5606014214       18.7112746222       11.4955035670
  C         3.0189527223       20.0180199942       11.7021051138
  C         3.9802529811       20.2954699299       12.6774133461
  C         2.3991936546       21.1148700139       10.8862337436
  F         2.3719301070       20.7825324685        9.5415064308
  F         1.0901450403       21.3345313626       11.2601460435
  F         3.0363533901       22.3170517619       10.9980672307
  C         2.5090146067       16.3090975202       12.1876606582
  F         1.9323101995       16.0519667704       10.9844274330
  F         3.4285613426       15.3141039662       12.3966077739
  F         1.5223918496       16.1210333442       13.1306733734
  H         4.4394330731       17.9883050398       16.6732836555
  H         4.5981252492       22.1357720654       15.5551856365
  H         2.3131228104       20.9305312994       18.9918515005
  H         6.9879111613       18.9528877936       17.0343668140
  H         9.3737710501       15.6425601801       15.6754460710
  H         6.6667475711       17.6017755272       12.9642936039
  H         6.9069726514       21.6183726912       16.2725117918
  H         9.3208084767       23.5775616414       13.2958615596
  H         6.6815059260       20.3784584197       12.1612938840
  H         4.4311284824       17.1606360674       13.8799893790
  H         1.8092893989       18.4924012648       10.7406100388
  H         4.2997104545       21.3269474951       12.8137168146
  F        15.6189425825        1.2746722546       -0.2928189170
  C        15.6619413922        1.6683087015        1.0284770470
  F        16.9912785296        1.8962144766        1.3187146382
  F        15.0495563272        2.8843921332        1.1019450002
  C        15.0734410345        0.6119572779        1.9261944015
  C        14.2307274153        0.9248996667        2.9996301041
  C        13.7355681896       -0.0705828813        3.8710091331
  C        14.1778624533       -1.3825725153        3.6371198325
  C        15.0056642867       -1.7037046047        2.5570716280
  C        15.4543070754       -0.7140339942        1.6817581266
  C        15.4681471437       -3.1194377871        2.3841884092
  F        16.0485553597       -3.3175946791        1.1715779424
  F        14.4479729532       -4.0414294942        2.4966621100
  F        16.4091452861       -3.4511303794        3.3549553800
  B        12.7896726780        0.2692774008        5.1629427751
  C        11.7353899560        1.4793374385        4.8491226177
  C        11.1253285694        1.5908928014        3.5845015150
  C        10.1459544048        2.5521364291        3.3209917984
  C         9.7312004143        3.4524601460        4.3069129119
  C        10.3169643552        3.3508013504        5.5660614649
  C        11.2902237911        2.3773068411        5.8336177162
  C         9.9532916538        4.3103642428        6.6597406499
  F        11.0925103190        4.8784181210        7.1887838746
  F         9.1362328886        5.3315459277        6.2379441580
  F         9.3071577341        3.6815692552        7.6993253227
  C         9.6235055044        2.7183836934        1.9290967666
  F         9.4967135260        1.5334903753        1.2493938650
  F         8.4030350501        3.3405199463        1.9037692168
  F        10.4692953753        3.4749187322        1.1644743424
  C        11.7910331722       -0.9682969129        5.5542828424
  C        11.2535341101       -1.8464114013        4.5951659802
  C        10.2942316065       -2.8092628815        4.9279217849
  C         9.8225631704       -2.9363520415        6.2374816561
  C        10.3414908744       -2.0716338066        7.1997359594
  C        11.3019648290       -1.1102319614        6.8643794913
  C         9.9455094518       -2.1880066674        8.6400126284
  F         9.5858188215       -0.9740688004        9.1688387653
  F         8.9072435231       -3.0504615989        8.8703532067
  F        11.0138363909       -2.6145149437        9.3931278933
  C         9.7523347421       -3.6988856887        3.8500230334
  F         8.8177320895       -4.5677543294        4.3253619672
  F        10.7198626250       -4.4530296090        3.2283369716
  F         9.1414258436       -2.9678307922        2.8548113481
  C        13.8521070731        0.6111700700        6.3601093235
  C        14.3432356616        1.9099178612        6.5723023339
  C        15.3246069528        2.1862837838        7.5336965228
  C        15.8649243338        1.1727457592        8.3220211113
  C        15.4104330947       -0.1330256761        8.1065301328
  C        14.4304012346       -0.4060140677        7.1472808827
  C        16.0232108136       -1.2294921597        8.9243886867
  F        16.0415373300       -0.8761697509       10.2634789998
  F        17.3294349049       -1.4916581275        8.5810822808
  F        15.3721481357       -2.4177217662        8.8050004012
  C        15.8736222552        3.5763355001        7.6252331320
  F        16.4769699177        3.8581400821        8.8096369451
  F        14.9139372065        4.5291086322        7.4084482138
  F        16.8285499646        3.7878783771        6.6608253887
  H        13.9556303278        1.9658824630        3.1644263856
  H        13.8683003734       -2.1805183082        4.3110298489
  H        16.0963834948       -0.9654393190        0.8420939156
  H        11.4213312895        0.9129540620        2.7848502600
  H         8.9904516779        4.2163176325        4.0926016412
  H        11.7144640800        2.3315316215        6.8359174598
  H        11.5855859011       -1.7824237176        3.5597549308
  H         9.0865177937       -3.6887155300        6.5015803810
  H        11.6755731378       -0.4530279861        7.6484980798
  H        13.9593153951        2.7349081966        5.9740144111
  H        16.6195174111        1.3913729871        9.0739088731
  H        14.1111139248       -1.4373503500        7.0091258025
  H        10.8045294473       11.7706941023        4.7502376915
  H        11.6074348375       10.0670704576        3.1358570389
     646
 i =      109, E =         0.0004599925
 Rh         3.6416538514        0.2385055564        4.8195325669
  P         5.3875916157        0.6383494301        6.2853396198
  C         5.2295857967       -0.3011876021        7.8721752733
  C         4.8324748173       -1.7752714838        7.6660976218
  C         4.5353816718       -2.4349214031        9.0232190354
  C         5.7207404064       -2.3114922170        9.9913479081
  C         6.1875416511       -0.8560257821       10.1415682432
  C         6.4635495416       -0.1925716080        8.7816472249
  C         5.6705315549        2.4055609610        6.8038997478
  C         4.6409910848        2.8192446226        7.8798068527
  C         4.6209339384        4.3297763240        8.1677593241
  C         4.5397854777        5.1610157619        6.8845948140
  C         5.6989859321        4.8025500566        5.9524246273
  C         5.6267523144        3.3210146541        5.5616194832
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  F         7.3491507464       10.8244208795       -0.2351362305
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  C         7.0087705006        8.8497972015        1.6764047334
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  C         5.1502219519        9.4827285543        3.7673029459
  C         5.7265199731       10.4813432824        2.9510696870
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  C         2.5802202335        7.8557592497        4.6579926249
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  C         1.8905860309        7.6027064425        7.3268796257
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  F         2.6878096515        7.1590569541        9.5350814439
  F         1.1746057218        8.7181965746        9.3122854462
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  F         0.1934399872        5.0738474866        4.3299784760
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  C         1.8553443358       13.0307713226        5.5385943587
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  C         1.1063528449       12.3799341421        1.9154000769
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  F        11.2165413119        9.0174862554       20.2228828868
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  C        11.8876776130       12.0126877248       17.3088496486
  C        12.7686820367       11.6836044098       16.2699056003
  C        13.2450497755       10.3744406388       16.0784098364
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  C        15.7658315773       12.0548296510       15.2255983264
  C        16.7022987052       13.0210222571       14.8373785844
  C        17.0862808370       13.1518906207       13.4978138977
  C        16.5057521957       12.2880476196       12.5612661293
  C        15.5664463123       11.3298979221       12.9597854710
  C        16.8419818575       12.3977788001       11.0970331433
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  F        15.7543235190       12.8160267314       10.3459186052
  F        17.2355093017       11.1909313476       10.5614132713
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  F        18.1483138071       14.8385707941       15.4058697572
  F        17.8386768657       13.2541808449       16.9338544319
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  C        12.4469030989       10.6741628443       12.8461630573
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  F        11.9229005785        5.6912207699       12.4653731765
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  C        17.1147333282        6.6673944041       15.4318894927
  C        16.4827109999        6.8319141949       14.2071759603
  C        15.5611511580        7.8666901984       14.0131392491
  C        17.4842412763        7.2667967206       17.7706599556
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  F        16.7937047969        6.3144032183       18.4807905902
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  F        14.4479775339       -4.0414589964        2.4966753940
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  F        17.3294238668       -1.4916754989        8.5811016877
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  H        11.7146181885        2.3314697827        6.8356946359
  H        11.5849804641       -1.7819623364        3.5595075885
  H         9.0866927271       -3.6888612781        6.5016108101
  H        11.6754771356       -0.4529350534        7.6483754704
  H        13.9592024135        2.7347334190        5.9736972691
  H        16.6198489727        1.3913599828        9.0731972263
  H        14.1108150058       -1.4374150746        7.0091908787
  H        10.8044187841       11.7707808792        4.7493233665
  H        11.6071350457       10.0666471775        3.1355670987
     646
 i =      110, E =         0.0052251462
 Rh         3.6419223872        0.2386239372        4.8196484901
  P         5.3877184305        0.6383518601        6.2855521385
  C         5.2295800316       -0.3015813817        7.8721230066
  C         4.8328834114       -1.7757912383        7.6658198224
  C         4.5353424673       -2.4354108934        9.0228352510
  C         5.7206546745       -2.3122609268        9.9910513228
  C         6.1874030328       -0.8568101154       10.1416084777
  C         6.4633545681       -0.1929209650        8.7818905406
  C         5.6704648237        2.4055901274        6.8042083574
  C         4.6405707684        2.8194627622        7.8796715865
  C         4.6216020958        4.3299392779        8.1679625047
  C         4.5400809926        5.1613010727        6.8848652954
  C         5.6986315495        4.8026729540        5.9519360952
  C         5.6269595844        3.3209046257        5.5617602081
  C         7.0000295717        0.0925453208        5.5193240628
  C         6.9719344062        0.2295343588        3.9882967650
  P         5.3090332006       -0.2369925833        3.2917052102
  C         5.4629529302       -2.0243263383        2.7879550715
  C         4.3715767028       -2.4025366889        1.7666381948
  C         4.3796620646       -3.9027385009        1.4539565730
  C         4.2425826563       -4.7473832638        2.7226043479
  C         5.3736898694       -4.4249424386        3.7038487952
  C         5.4084689418       -2.9250602737        4.0435823863
  C         5.1328175141        0.7056682839        1.7078756043
  C         4.8551634253        2.2062567663        1.9233130153
  C         4.4311550217        2.8412599845        0.5880975078
  C         5.4947699062        2.6380543986       -0.5027313870
  C         5.8990839165        1.1614434690       -0.6490029925
  C         6.2808737549        0.5234103277        0.7001602687
  C         1.8818371654        0.3160703161        3.4708529171
  C         1.9079847940       -0.9348525154        4.0938835992
  C         1.0739990041       -0.8074560697        5.3825946194
  C         1.9416897129        0.1231602684        6.2570473553
  C         1.9138573455        1.3736773148        5.6384077921
  C         1.0297545266        1.2266251641        4.3832198159
  C        -0.0102169169        0.1954000477        4.9013568763
  H         4.3833246258        0.1982894719        8.3721350686
  H         5.6495840782       -2.3158793374        7.1638147382
  H         3.9584185932       -1.8440527284        7.0011231466
  H         4.2696561106       -3.4921402305        8.8773515387
  H         3.6502091317       -1.9526012948        9.4621249194
  H         5.4437770127       -2.7215168802       10.9735264803
  H         6.5559642541       -2.9267541663        9.6287388115
  H         7.0961250339       -0.8060023378       10.7595731447
  H         5.4096782599       -0.2794491477       10.6658647182
  H         6.7613557616        0.8534289377        8.9290121865
  H         7.3123615548       -0.6914286239        8.2964532896
  H         6.6816797539        2.4584918400        7.2394549526
  H         4.8481683097        2.2808593959        8.8141156154
  H         3.6363448050        2.5038415999        7.5639918349
  H         5.5305852480        4.6129989007        8.7177877395
  H         3.7750129725        4.5522988068        8.8335872270
  H         4.5445663428        6.2318620833        7.1313792975
  H         3.5872684097        4.9715806569        6.3683367654
  H         6.6529486474        5.0088135178        6.4559422608
  H         5.6871322247        5.4198374101        5.0443242135
  H         6.4484077455        3.0674370577        4.8756261551
  H         4.6922090481        3.1336012013        5.0081337805
  H         7.8380167664        0.6552657143        5.9553557589
  H         7.1395677820       -0.9589865288        5.8077997315
  H         7.7651029430       -0.3675471888        3.5157200001
  H         7.1403466550        1.2752050293        3.6945348063
  H         6.4481229801       -2.1426719728        2.3081885415
  H         4.5009688776       -1.8326471513        0.8367919402
  H         3.3825216349       -2.1255300152        2.1550585739
  H         5.3185149781       -4.1607356618        0.9431339891
  H         3.5669209983       -4.1257174901        0.7512739156
  H         4.2405473773       -5.8150942169        2.4634108199
  H         3.2691681541       -4.5512469339        3.1963668718
  H         5.2558184316       -4.9953172572        4.6375334700
  H         6.3363375166       -4.7305559693        3.2687305330
  H         6.2701831945       -2.7157868887        4.6936133730
  H         4.5109047958       -2.6607080637        4.6258648087
  H         4.2196906575        0.2686596868        1.2700567595
  H         5.7635623222        2.7029259221        2.2961378038
  H         4.0786303823        2.3497218381        2.6901249391
  H         4.2272486755        3.9122992667        0.7261017596
  H         3.4822562889        2.3850975157        0.2680882341
  H         6.3843932659        3.2376022616       -0.2607646086
  H         5.1193682592        3.0205047148       -1.4633901533
  H         6.7409975145        1.0671627015       -1.3506851609
  H         5.0602255456        0.5945129540       -1.0835364229
  H         7.1840000154        1.0078540651        1.0923185350
  H         6.5296972411       -0.5359856364        0.5582474963
  H         2.1176467131        0.5348680712        2.4330700167
  H         2.1760462813       -1.8876039619        3.6474775383
  H         0.7568028405       -1.7461529753        5.8429494274
  H         2.2325582762       -0.0958213913        7.2802739557
  H         2.1887267916        2.3285104774        6.0770937321
  H         0.6691537837        2.1572628201        3.9377141935
  H        -0.6315696973        0.5814281919        5.7159085385
  H        -0.6396544814       -0.2120342091        4.1034803697
 Rh        14.7184482688       19.6362545499       14.9747699360
  P        12.9545466893       19.2058659628       13.5265726797
  C        13.1281550839       20.1889101771       11.9625251312
  C        13.5053868611       21.6613518669       12.2123211636
  C        13.8475677939       22.3568050543       10.8842315726
  C        12.6906117348       22.2548631477        9.8804404088
  C        12.2550717734       20.7970066978        9.6716780894
  C        11.9347008445       20.0888642653       11.0009290188
  C        12.6608435944       17.4550906899       12.9579379671
  C        13.6727646770       17.0369773785       11.8695912278
  C        13.6018876950       15.5345621487       11.5548022352
  C        13.7840368140       14.7022329625       12.8266773598
  C        12.6818893421       15.0365938398       13.8360929478
  C        12.6931628981       16.5306063298       14.1957409033
  C        11.3334497874       19.6952649344       14.3278148216
  C        11.4090873859       19.6718483193       15.8661638129
  P        13.0855028323       20.1693114739       16.5123958234
  C        12.9236131988       21.9686297817       16.9585955406
  C        13.9857607421       22.4232981302       17.9823896664
  C        13.9942845639       23.9500714472       18.1727598551
  C        14.0867718456       24.7091336383       16.8450864538
  C        12.9463058880       24.2977415393       15.9120482226
  C        13.0044410478       22.7881499035       15.6526836776
  C        13.3287574298       19.2277096465       18.0899834658
  C        13.5978163882       17.7361337310       17.8066745471
  C        14.0350137283       17.0207587414       19.0930893346
  C        12.9857592605       17.1763864783       20.2046279622
  C        12.6230571816       18.6516994513       20.4470367424
  C        12.2259991459       19.3853968092       19.1496156326
  C        16.4466576771       19.6288352171       16.3547317618
  C        16.4652106563       20.8220670969       15.6252696135
  C        17.3228018301       20.5590812853       14.3716960734
  C        16.4456607988       19.5795692728       13.5609143624
  C        16.4226934491       18.3878123744       14.2868698059
  C        17.2877211671       18.6188995393       15.5434428893
  C        18.3689553273       19.5743461357       14.9644168672
  H        13.9981636483       19.7075858926       11.4845289859
  H        12.6634509425       22.1835889124       12.6906109472
  H        14.3524462111       21.7205007330       12.9128862379
  H        14.1057329630       23.4091141719       11.0678394202
  H        14.7479173170       21.8877928147       10.4599289129
  H        12.9845591865       22.7026792219        8.9195906424
  H        11.8363475936       22.8430275212       10.2442153570
  H        11.3737657496       20.7493785389        9.0150863924
  H        13.0640615978       20.2493592759        9.1630023311
  H        11.6637134913       19.0427265607       10.8097515340
  H        11.0558947537       20.5567533128       11.4629537425
  H        11.6499033978       17.4266095933       12.5192157089
  H        13.4906879429       17.6123458730       10.9517522224
  H        14.6948154877       17.2857640045       12.1910073036
  H        12.6283282368       15.2954738319       11.1022623042
  H        14.3651739272       15.2837237125       10.8043596865
  H        13.7858434354       13.6297288002       12.5870341469
  H        14.7687935895       14.9135836165       13.2705552310
  H        11.7061858397       14.7541119944       13.4171812797
  H        12.8068786150       14.4576074079       14.7611144069
  H        11.8419392192       16.7632122826       14.8539400292
  H        13.6011380241       16.7535771453       14.7787652021
  H        10.5354746987       19.0276650318       13.9708798485
  H        11.0840349455       20.7025724559       13.9665212269
  H        10.6310380969       20.3074638929       16.3130737250
  H        11.2389438845       18.6522729550       16.2396059587
  H        11.9233127236       22.1063534672       17.3999187006
  H        13.8055545385       21.9411132839       18.9536427974
  H        14.9843050698       22.0958686176       17.6613754551
  H        13.0771519376       24.2561262192       18.6959523770
  H        14.8333890627       24.2233723206       18.8266577888
  H        14.0709063427       25.7909175434       17.0338348174
  H        15.0515629920       24.5065800607       16.3570168458
  H        13.0020846394       24.8295333269       14.9519417546
  H        11.9790379375       24.5616687451       16.3623594965
  H        12.2050251507       22.4854431842       14.9623130788
  H        13.9528625460       22.5450681644       15.1463824507
  H        14.2569112547       19.6631192547       18.4978670279
  H        12.6811181994       17.2639561623       17.4220689975
  H        14.3596962787       17.6308381321       17.0183553280
  H        14.2168177273       15.9570652849       18.8815386814
  H        14.9972661136       17.4385930746       19.4257337016
  H        12.0804905088       16.6158201328       19.9291035750
  H        13.3548130346       16.7239678493       21.1365386869
  H        11.7970537616       18.7213434747       21.1704616327
  H        13.4845809829       19.1672278997       20.9005412975
  H        11.2855792285       18.9674641015       18.7662912660
  H        12.0352588147       20.4448108585       19.3627106099
  H        16.1954135757       19.5115027783       17.4048764636
  H        16.2121830524       21.8158545702       15.9845846155
  H        17.6775136518       21.4437768620       13.8377163959
  H        16.1782724475       19.7147303797       12.5169315453
  H        16.1197888914       17.4066978984       13.9309244472
  H        17.6084355894       17.7214665973       16.0779748983
  H        18.9998761936       19.1029451407       14.2029698777
  H        18.9903324289       20.0341012098       15.7418860326
 Rh         5.9632831292       10.0621217000       14.9862223126
  P         4.1644145326        9.5935456392       13.6047634056
  C         3.7848420046        7.8449034364       13.0890000353
  C         3.7056899768        6.9141970928       14.3188687425
  C         3.6670959827        5.4298365281       13.9185590340
  C         4.8638084286        5.0724371004       13.0344020516
  C         4.7997588877        5.8909360643       11.7446067518
  C         4.8244613950        7.3965843763       12.0429067473
  C         2.5850860792       10.2079940207       14.3767891609
  C         2.6550537960       10.1131170906       15.9068134521
  P         4.3379609402       10.6100841221       16.5308249730
  C         4.1467746510       12.3842802109       17.0431967371
  C         4.0024641620       13.2731221008       15.7880951692
  C         4.0782865766       14.7723359899       16.1122804813
  C         5.3750843634       15.0861585586       16.8620983798
  C         5.4118885073       14.3004806509       18.1743518308
  C         5.3340700955       12.7887654970       17.9405658512
  C         4.5775122000        9.6706379393       18.1054456028
  C         4.9298433911        8.1947865257       17.8379814091
  C         5.2197878145        7.4711912739       19.1601087819
  C         4.0241863297        7.5744713477       20.1177971353
  C         3.3919377819        9.8058359552       19.0741674342
  C         3.6574298866        9.0424337686       20.3824765376
  C         4.3650330897       10.5470492703       12.0303608042
  C         4.7047024960       12.0265285530       12.2958258142
  C         5.0088205253       12.7608243055       10.9797781356
  C         3.8668757282       12.6096203406        9.9640456926
  C         3.4972555803       11.1365851791        9.7392436096
  C         3.1827592525       10.4184575788       11.0621635489
  C         7.8021746851       11.1860954706       15.5501223095
  C         7.5810285238        8.6898892275       14.3535608158
  C         8.4810554522        8.9339179515       15.5828394473
  C         9.6117618923        9.7794467756       14.9341539107
  C         8.6221665249       10.7989622015       14.3029121060
  C         7.7231455554       10.0420538681       16.3469430958
  C         7.6678618454        9.8369125000       13.5601112620
  H         2.7919628609        7.8689910861       12.6099643711
  H         4.5781684018        7.0866356440       14.9680421082
  H         2.8168029564        7.1628869934       14.9179633836
  H         2.7403257110        5.2089769212       13.3715943540
  H         3.6436471189        4.8189633876       14.8279461411
  H         5.8005513079        5.2825714046       13.5729720845
  H         4.8824636730        3.9982400570       12.8046524906
  H         5.6327373438        5.6453978060       11.0717714062
  H         3.8772090473        5.6344080848       11.2044886540
  H         4.6500251777        7.9524248434       11.1161758539
  H         5.8341122866        7.6711207939       12.3813121503
  H         2.4654587531       11.2533671899       14.0602307039
  H         1.7242982994        9.6524975330       13.9779419675
  H         1.8793947128       10.7275661344       16.3857061800
  H         2.4960127800        9.0760979596       16.2333509322
  H         3.2162840568       12.4577417331       17.6289991635
  H         4.8041205948       13.0223258532       15.0762279854
  H         3.0522540699       13.0476551194       15.2835057512
  H         4.0022377195       15.3453885133       15.1768348518
  H         3.2177876656       15.0687870597       16.7292666767
  H         5.4709096177       16.1609069668       17.0648950021
  H         6.2400316585       14.8190548058       16.2357984689
  H         6.3204981807       14.5280338337       18.7451429590
  H         4.5613137050       14.6129375939       18.7965345839
  H         6.2760686417       12.4461336354       17.4888803740
  H         5.2556761098       12.2756587995       18.9092598984
  H         5.4612645722       10.1422522161       18.5660773069
  H         5.7924521421        8.1362158462       17.1562428733
  H         4.0946205379        7.6961816036       17.3253036652
  H         6.1054436207        7.9261473102       19.6276996788
  H         5.4776805916        6.4204749503       18.9650817435
  H         4.2431060037        7.0615263741       21.0642472182
  H         3.1620033254        7.0557974303       19.6737024481
  H         3.1852376847       10.8628801610       19.2860976987
  H         2.4901030993        9.3982427414       18.5996904003
  H         4.4823918919        9.5307087055       20.9255146810
  H         2.7693088171        9.1076404550       21.0279563598
  H         5.2488139546       10.0817729216       11.5631639050
  H         5.5606869449       12.0964930390       12.9869545259
  H         3.8559893336       12.5147384002       12.7979852638
  H         5.1951259062       13.8241777748       11.1859273246
  H         5.9409323714       12.3617120219       10.5547700611
  H         4.1474595129       13.0804245181        9.0104587998
  H         2.9819641844       13.1511673503       10.3252096850
  H         2.6294688309       11.0558463092        9.0687660355
  H         4.3359178568       10.6196967187        9.2455400700
  H         2.2857929567       10.8593940321       11.5180769076
  H         2.9479717068        9.3654160379       10.8717299459
  H         7.6096960345       12.2124809656       15.8509864809
  H         7.2200634707        7.7092620786       14.0555873299
  H         8.7540449170        8.0465791379       16.1591311720
  H        10.2877678907       10.2322082644       15.6697775552
  H        10.1850246449        9.2203255790       14.1887113900
  H         9.0269838201       11.6295921168       13.7184618578
  H         7.4823408487       10.0009620934       17.4051902228
  H         7.3925034728        9.9313770978       12.5130459692
 Rh        12.6608085800        9.8020313365        4.6972978399
  P        14.3001672917       10.0585914156        6.1681487388
  C        14.4356075272       11.8624511839        6.6640640783
  C        14.7216496509       12.8292054679        5.4972437068
  C        14.7708229171       14.2944038842        5.9773886637
  C        13.5067638384       14.6987113644        6.7437053730
  C        13.2900448576       13.7555813163        7.9295723951
  C        13.1855225793       12.3012568281        7.4483062618
  C        15.9677377469        9.6436184172        5.4428393669
  C        15.9708659779        9.8645418028        3.9188556892
  P        14.3118866724        9.4338193441        3.2057407731
  C        14.3815643676        7.6298380320        2.7148224483
  C        14.5679946630        6.7109437842        3.9409423868
  C        14.4452117847        5.2191679472        3.5827530050
  C        13.1142535232        4.9255780157        2.8842099431
  C        12.9993446900        5.7733840012        1.6148448882
  C        13.1037906678        7.2715953942        1.9266798503
  C        14.1201043247       10.3386896495        1.6066490877
  C        13.9273850644       11.8477388155        1.8429365194
  C        13.5594045677       12.5547795416        0.5311563353
  C        14.5925563927       12.2792795874       -0.5702788796
  C        15.1904011361       10.0646523430        0.5401394068
  C        14.8201529035       10.7735431879       -0.7735596017
  C        14.1476902101        9.1815168259        7.7894900089
  C        13.7667654282        7.6977309882        7.6545887003
  C        13.4067463712        7.1338313912        9.0381044085
  C        14.5822801073        7.2757995992       10.0119354807
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  F         7.3491917476       10.8244632875       -0.2351419503
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  C         7.0081781241        8.8497036348        1.6759127642
  C         6.4464066023        7.8477491649        2.4602512266
  C         5.5355226024        8.1589812195        3.4833652749
  C         5.1506065980        9.4827878541        3.7675398041
  C         5.7268084849       10.4813913770        2.9513857038
  B         4.2380334801        9.8959662134        5.0747240648
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  C         2.5805739069        7.8556658644        4.6578141099
  C         1.6556442131        6.8800120719        5.0583631038
  C         1.2934848064        6.7380650587        6.4004421325
  C         1.8904542843        7.6028244534        7.3268390928
  C         2.8331411411        8.5558597036        6.9191413121
  C         1.5852144174        7.5065272302        8.7934326064
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  F         2.6878149192        7.1590067714        9.5351695900
  F         1.1744789687        8.7183574647        9.3125112744
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  F         0.1935635618        5.0739393805        4.3299608237
  F         0.6515774889        6.7255891939        2.9277223509
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  C         5.9067363876        9.1882764155        6.9389427829
  C         6.8582925132        9.3845357474        7.9406063132
  C         7.3131570657       10.6699917235        8.2504973897
  C         6.8161732679       11.7409793797        7.4913377783
  C         5.8522950162       11.5261904081        6.4946201462
  C         7.3335343688       13.1426843712        7.6992119722
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  F         6.3554377914       14.0813342674        7.4845065969
  F         8.3394809029       13.4807661198        6.8170588858
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  F         7.4255880925        7.0995608644        7.7768729583
  F         6.2865895011        7.7320689861        9.5347349398
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  C         2.6268118278       11.2851645226        3.5304085967
  C         1.6673241760       12.2676294735        3.2884633672
  C         1.2753673881       13.1677035331        4.2793273556
  C         1.8551316846       13.0310363325        5.5383167459
  C         2.7970678571       12.0226968624        5.7931723022
  C         1.1063545956       12.3798804830        1.9154264372
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  F         1.8933559758       13.1556292014        1.0971580491
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  F         7.4986191408        5.8847155815        3.2978493123
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  F         2.6780397740       14.5683794785        7.1195692208
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  H         5.1207723417        7.3425307146        4.0734156453
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  F        11.2164780435        9.0175370659       20.2229694095
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  C        11.4356638000       11.0391055840       18.1994912563
  C        11.8877245658       12.0127039534       17.3089787961
  C        12.7686992592       11.6835677001       16.2700470213
  C        13.2449469292       10.3744287912       16.0783593149
  C        12.7672542562        9.4034395610       16.9843530351
  B        14.1565101495        9.9819508584       14.7700355331
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  C        15.7656205397       12.0550608177       15.2254518984
  C        16.7022445032       13.0211173924       14.8373128426
  C        17.0862892382       13.1518759239       13.4977915322
  C        16.5057268524       12.2879436163       12.5613659694
  C        15.5665353730       11.3296769385       12.9597932256
  C        16.8421119723       12.3976975284       11.0970834385
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  F        15.7542367620       12.8160715278       10.3457979868
  F        17.2354818037       11.1909641675       10.5613636354
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  F        18.1483046608       14.8385455866       15.4058862656
  F        17.8386770495       13.2542208825       16.9338266892
  C        13.0501273400        9.6443242422       13.5975555920
  C        12.4468527248       10.6742094999       12.8460681177
  C        11.4648343651       10.4129707088       11.8809055509
  C        11.0399469453        9.1076453920       11.6321243482
  C        11.6025948967        8.0757004791       12.3852733655
  C        12.5805516490        8.3400542287       13.3498000250
  C        11.0273206126        6.6991319611       12.2312696567
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  F        11.9229672441        5.6911793588       12.4653763044
  F        10.0061614816        6.4974667243       13.1315403061
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  F        10.6242365124       12.6598776509       11.7437498122
  F        11.7664928091       11.8877013216       10.0458248882
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  C        15.8576239346        8.5676147890       16.2867565478
  C        16.8096617862        7.5582511478       16.4641314135
  C        17.1149769838        6.6674197587       15.4318433255
  C        16.4829682323        6.8316368914       14.2071083124
  C        15.5610779934        7.8665159596       14.0133783608
  C        17.4842186487        7.2667882553       17.7707508151
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  F        16.7936092900        6.3143226092       18.4807607982
  F        18.7594269470        6.7891690509       17.5408516116
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  F        10.4812320965       13.7341548265       16.4319169610
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  F        17.3767442055        6.5268901601       12.0283198347
  F        15.6563250733        5.2697125916       12.6112154571
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  H        10.7411855349       11.2942655032       18.9948798814
  H        13.0871204641       12.4720383643       15.5891734469
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  H        10.2724944928        8.9002131980       10.8924866695
  H        12.9807837274        7.5071813554       13.9246332053
  H        15.6309889770        9.2315817752       17.1201801514
  H        17.8232630132        5.8619775910       15.5866734620
  H        15.1145228892        7.9837389127       13.0266439046
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  F         3.3587712338       17.0873542693       18.6322271194
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  C         3.4396533338       21.6639468679       17.2990844630
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  C         2.9236585774       23.0644698762       17.4347615594
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  F         3.9022094195       24.0240880478       17.3054189563
  F         1.9925703857       23.2935998435       16.4318426822
  B         5.6125184028       19.6387612203       14.6707067730
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  C         7.2696212306       18.2812608963       16.2249249444
  C         8.2430662142       17.3088323059       16.4684183228
  C         8.6413219208       16.4172200934       15.4720889761
  C         8.0500665334       16.5428008671       14.2156557775
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  F        10.0142965530       16.5640344416       17.8927952580
  F         7.9539618226       16.3793505933       18.6302708286
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  F         7.6876650608       24.3578311982       16.5044902841
  F         9.2705465066       22.8896710636       17.0027382013
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  C         4.0531470359       17.9795839486       13.2695093819
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  C         2.5603840281       18.7113302741       11.4956011620
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  C         3.9800918745       20.2954499082       12.6774497777
  C         2.3991706260       21.1146107457       10.8861859568
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  F         3.4284647160       15.3142280107       12.3964794332
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  H         4.5991449992       22.1365455429       15.5553764900
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  H         4.2996020363       21.3270266900       12.8139341438
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  C        14.2302145637        0.9247877499        2.9991461704
  C        13.7351516001       -0.0708324485        3.8702325091
  C        14.1771593973       -1.3827381861        3.6364652521
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  C        15.4550480317       -0.7140151177        1.6821335363
  C        15.4680576755       -3.1193571176        2.3840012955
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  F        14.4479875634       -4.0414922836        2.4966825879
  F        16.4092603032       -3.4513078401        3.3550139528
  B        12.7892498601        0.2693024730        5.1624224016
  C        11.7356270928        1.4797058755        4.8488540432
  C        11.1254841626        1.5913335848        3.5840618946
  C        10.1460940230        2.5524792203        3.3204951839
  C         9.7315332018        3.4526762082        4.3068680445
  C        10.3171582074        3.3509549456        5.5662619493
  C        11.2904597513        2.3775247957        5.8334902676
  C         9.9541024878        4.3106735242        6.6597803810
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  F         9.1362640677        5.3316306105        6.2380821430
  F         9.3073559902        3.6817534535        7.6994995673
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  F         8.4029976738        3.3408293243        1.9038486398
  F        10.4693302842        3.4750294116        1.1643929710
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  C        11.2525695734       -1.8457102496        4.5948468547
  C        10.2938370752       -2.8090892738        4.9278214166
  C         9.8226133944       -2.9365167461        6.2375023639
  C        10.3414262850       -2.0715545381        7.1995934856
  C        11.3016914640       -1.1099702898        6.8640943727
  C         9.9455166603       -2.1880027361        8.6399856377
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  F         8.9072686581       -3.0503749489        8.8704087517
  F        11.0137902561       -2.6145241972        9.3931027234
  C         9.7521506253       -3.6989511352        3.8499647996
  F         8.8177772817       -4.5676767004        4.3253391539
  F        10.7198377159       -4.4529542553        3.2283786813
  F         9.1414086979       -2.9678267669        2.8547647151
  C        13.8521867395        0.6112114785        6.3596636312
  C        14.3431664906        1.9098045815        6.5715004932
  C        15.3243391457        2.1857317098        7.5327775975
  C        15.8653739370        1.1725498275        8.3209547206
  C        15.4104669193       -0.1330193130        8.1059164882
  C        14.4302172206       -0.4061320748        7.1470054572
  C        16.0231669014       -1.2294777807        8.9241892625
  F        16.0414792251       -0.8761692048       10.2633048901
  F        17.3294350131       -1.4917013014        8.5811008042
  F        15.3722376798       -2.4175667723        8.8050258717
  C        15.8731613644        3.5763727114        7.6234999091
  F        16.4779934396        3.8582968399        8.8113009777
  F        14.9132073874        4.5290762933        7.4085804019
  F        16.8288992398        3.7875854433        6.6605380315
  H        13.9546718352        1.9656630862        3.1635837262
  H        13.8669048355       -2.1808307197        4.3099056741
  H        16.0980026433       -0.9651608448        0.8431204921
  H        11.4214592941        0.9135611299        2.7842126949
  H         8.9906961109        4.2168997633        4.0926852914
  H        11.7149162237        2.3313764182        6.8353862950
  H        11.5838455885       -1.7811135061        3.5591060264
  H         9.0869840770       -3.6891737880        6.5016877939
  H        11.6753032338       -0.4527550457        7.6481514135
  H        13.9589898973        2.7344964741        5.9730803127
  H        16.6204698235        1.3913474241        9.0719035001
  H        14.1102807548       -1.4375053837        7.0093127014
  H        10.8042332194       11.7709935573        4.7476187656
  H        11.6065351955       10.0658448522        3.1350465186
     646
 i =      111, E =         0.0004100739
 Rh         3.6420799287        0.2386842669        4.8197222460
  P         5.3878049461        0.6383560918        6.2856529082
  C         5.2295835540       -0.3018167532        7.8721418476
  C         4.8331089659       -1.7760581054        7.6656476911
  C         4.5353373474       -2.4357062686        9.0226294505
  C         5.7206040759       -2.3127048540        9.9908757705
  C         6.1873449047       -0.8572712991       10.1416406360
  C         6.4632454416       -0.1931311155        8.7820001284
  C         5.6704240177        2.4056061326        6.8043888625
  C         4.6403467967        2.8196050236        7.8795773322
  C         4.6219847160        4.3300384019        8.1680866697
  C         4.5402156000        5.1613401386        6.8850044673
  C         5.6984255622        4.8027590324        5.9516511911
  C         5.6270400258        3.3208314637        5.5618779779
  C         7.0001205409        0.0926450818        5.5194153734
  C         6.9720511418        0.2296081841        3.9883953633
  P         5.3091484576       -0.2370028568        3.2918304182
  C         5.4632934278       -2.0242980867        2.7881221575
  C         4.3722106141       -2.4025521905        1.7665852274
  C         4.3797494768       -3.9027474080        1.4542045500
  C         4.2427836561       -4.7472879400        2.7229517854
  C         5.3740312496       -4.4248482319        3.7039939250
  C         5.4087735844       -2.9250050321        4.0437509652
  C         5.1324886948        0.7055421736        1.7079457978
  C         4.8546944648        2.2060711416        1.9233835578
  C         4.4311243911        2.8413181434        0.5881679466
  C         5.4949961067        2.6382047937       -0.5024021548
  C         5.8988728055        1.1615032796       -0.6489234853
  C         6.2803482129        0.5231292789        0.7001072310
  C         1.8820145502        0.3160926763        3.4708494903
  C         1.9080861620       -0.9346861932        4.0940777493
  C         1.0741880304       -0.8070829060        5.3828141948
  C         1.9418521975        0.1235130676        6.2570106280
  C         1.9141529592        1.3740924980        5.6383234861
  C         1.0299542423        1.2268882463        4.3831613579
  C        -0.0100155257        0.1957439193        4.9015255031
  H         4.3831971752        0.1978762314        8.3720695838
  H         5.6500703600       -2.3160759961        7.1639361555
  H         3.9588704041       -1.8444988370        7.0006995800
  H         4.2694765796       -3.4923818738        8.8771162283
  H         3.6502309810       -1.9527423102        9.4618557694
  H         5.4437374943       -2.7221002582       10.9733051420
  H         6.5559113097       -2.9271608073        9.6284779793
  H         7.0960570289       -0.8065214972       10.7595786720
  H         5.4095857203       -0.2800238514       10.6660099674
  H         6.7610692509        0.8532592754        8.9293374235
  H         7.3123510232       -0.6914110632        8.2965678418
  H         6.6815365547        2.4585522737        7.2398571839
  H         4.8473796559        2.2807072566        8.8140261505
  H         3.6360760404        2.5044869406        7.5635235535
  H         5.5312738969        4.6127070167        8.7175803623
  H         3.7757230993        4.5526517636        8.8340071241
  H         4.5450517597        6.2320684152        7.1316065631
  H         3.5872271273        4.9719614671        6.3688615283
  H         6.6529412795        5.0093664557        6.4550862547
  H         5.6862349713        5.4195626050        5.0438416788
  H         6.4487742766        3.0674353492        4.8759535757
  H         4.6925185611        3.1332576195        5.0080041992
  H         7.8381112320        0.6553017038        5.9554809607
  H         7.1396373540       -0.9589403985        5.8078968413
  H         7.7652011813       -0.3676241091        3.5158690519
  H         7.1406132582        1.2752186913        3.6945750579
  H         6.4486493307       -2.1425656644        2.3085868916
  H         4.5022215159       -1.8329376635        0.8365412591
  H         3.3830800652       -2.1249229943        2.1544715551
  H         5.3184792761       -4.1611516864        0.9432094002
  H         3.5668338949       -4.1256388508        0.7516954132
  H         4.2405357868       -5.8149781182        2.4638623691
  H         3.2694415878       -4.5509419933        3.1968984367
  H         5.2564651963       -4.9953104315        4.6376513558
  H         6.3366610108       -4.7303412216        3.2686101549
  H         6.2703464611       -2.7156633328        4.6938846237
  H         4.5110654165       -2.6607149198        4.6259548506
  H         4.2192917668        0.2683856320        1.2703945281
  H         5.7628895223        2.7027985146        2.2966648917
  H         4.0778327384        2.3493682299        2.6899550091
  H         4.2272464798        3.9123558862        0.7263057646
  H         3.4822625767        2.3853050529        0.2677563451
  H         6.3847716098        3.2373849162       -0.2598850992
  H         5.1200952406        3.0210854506       -1.4630207363
  H         6.7408156854        1.0670717696       -1.3505722870
  H         5.0598430685        0.5949668223       -1.0836692166
  H         7.1837749872        1.0070113664        1.0923165633
  H         6.5286829210       -0.5364373924        0.5579821604
  H         2.1177643755        0.5347858949        2.4331083241
  H         2.1761228219       -1.8875684765        3.6477168074
  H         0.7569232311       -1.7457629426        5.8433201910
  H         2.2328651168       -0.0953174903        7.2804405178
  H         2.1891243135        2.3288425660        6.0767833972
  H         0.6694554664        2.1574099970        3.9375898644
  H        -0.6313076766        0.5818905304        5.7159751507
  H        -0.6395373618       -0.2117797802        4.1036363350
 Rh        14.7184588640       19.6362776882       14.9747875327
  P        12.9546878098       19.2059509530       13.5265464235
  C        13.1283386245       20.1889883624       11.9625058048
  C        13.5054759313       21.6613952364       12.2123124675
  C        13.8475251330       22.3569517017       10.8842723270
  C        12.6905595038       22.2550061959        9.8805681542
  C        12.2548912358       20.7972278389        9.6717956102
  C        11.9347597528       20.0889184377       11.0010344534
  C        12.6611125828       17.4550530424       12.9582422611
  C        13.6730945678       17.0369938180       11.8699080208
  C        13.6021869355       15.5346084940       11.5549527540
  C        13.7839011476       14.7019961670       12.8266658502
  C        12.6818988136       15.0365550116       13.8361514663
  C        12.6935641225       16.5305343407       14.1959857354
  C        11.3336374758       19.6957065412       14.3275318872
  C        11.4090108174       19.6716544469       15.8658426726
  P        13.0853172560       20.1692389084       16.5122297322
  C        12.9232388641       21.9684875250       16.9585520090
  C        13.9856867845       22.4228595647       17.9821148763
  C        13.9941247319       23.9495217693       18.1729782619
  C        14.0869048897       24.7088083363       16.8454891745
  C        12.9464372910       24.2978969990       15.9122463608
  C        13.0035630788       22.7882967291       15.6527910725
  C        13.3287697639       19.2277346508       18.0898279177
  C        13.5980552576       17.7361896065       17.8066721166
  C        14.0348846159       17.0208228882       19.0932393084
  C        12.9853802506       17.1765739983       20.2044925117
  C        12.6230622755       18.6519472175       20.4469060394
  C        12.2260363273       19.3855379778       19.1494504817
  C        16.4468170260       19.6286686603       16.3547181530
  C        16.4653274794       20.8219604413       15.6253240884
  C        17.3227198197       20.5591376634       14.3716267840
  C        16.4454836189       19.5796886585       13.5608223215
  C        16.4225830330       18.3878599256       14.2866395060
  C        17.2878362207       18.6187881103       15.5431808115
  C        18.3689280966       19.5743161990       14.9640759509
  H        13.9983334221       19.7076994691       11.4843807294
  H        12.6634884623       22.1835724775       12.6906698363
  H        14.3525448364       21.7206427918       12.9129062054
  H        14.1056571640       23.4092807317       11.0679297499
  H        14.7479403349       21.8880433357       10.4598985314
  H        12.9844700265       22.7028152344        8.9196538046
  H        11.8363342728       22.8432703924       10.2443523426
  H        11.3733947800       20.7496931429        9.0154045647
  H        13.0637063406       20.2495384190        9.1628778510
  H        11.6637304707       19.0428593905       10.8098604568
  H        11.0560229844       20.5568390529       11.4632756817
  H        11.6501564946       17.4264022929       12.5195300975
  H        13.4912047928       17.6124592078       10.9521700589
  H        14.6951368472       17.2856719724       12.1915418437
  H        12.6286868636       15.2957089290       11.1021043591
  H        14.3656218531       15.2838275695       10.8046415815
  H        13.7852959756       13.6295368579       12.5867913755
  H        14.7687613405       14.9128278262       13.2706591556
  H        11.7060667612       14.7544669163       13.4171700014
  H        12.8066593484       14.4573746927       14.7610470445
  H        11.8426038391       16.7632096005       14.8544660351
  H        13.6017848837       16.7532587921       14.7788015931
  H        10.5353315460       19.0288333810       13.9700607784
  H        11.0849764214       20.7034124543       13.9666253467
  H        10.6308078334       20.3069975203       16.3129181619
  H        11.2389617931       18.6519041116       16.2388471943
  H        11.9230583461       22.1060350191       17.4002977116
  H        13.8060325479       21.9402207779       18.9531896314
  H        14.9841651835       22.0957295765       17.6604574783
  H        13.0767791237       24.2553723051       18.6960172356
  H        14.8330072868       24.2226816275       18.8271934842
  H        14.0714163126       25.7905283940       17.0343375431
  H        15.0517445427       24.5059405668       16.3574990196
  H        13.0027124029       24.8296334258       14.9521399955
  H        11.9792057433       24.5625058153       16.3623808730
  H        12.2034590898       22.4861756609       14.9629423951
  H        13.9514900889       22.5447450197       15.1457437211
  H        14.2568893430       19.6632999230       18.4976053092
  H        12.6815756919       17.2638666257       17.4217084789
  H        14.3602608965       17.6309736416       17.0186272984
  H        14.2167011555       15.9571182672       18.8817442244
  H        14.9970657543       17.4386209351       19.4261487392
  H        12.0799768148       16.6163302121       19.9286152059
  H        13.3540051502       16.7238847831       21.1364560195
  H        11.7971969803       18.7219041393       21.1704497294
  H        13.4848172470       19.1673034459       20.9002184997
  H        11.2855846647       18.9675563808       18.7661681825
  H        12.0352995245       20.4449737819       19.3624005549
  H        16.1956935609       19.5111820221       17.4047921805
  H        16.2123397876       21.8157185977       15.9848083527
  H        17.6773450113       21.4438764061       13.8376890340
  H        16.1779603703       19.7149739288       12.5169201993
  H        16.1196358773       17.4067883523       13.9306967622
  H        17.6085826389       17.7213184697       16.0775276256
  H        18.9997403136       19.1029742023       14.2024542891
  H        18.9904727763       20.0339718501       15.7414899177
 Rh         5.9630226265       10.0620551506       14.9862509314
  P         4.1643340365        9.5937427815       13.6044957230
  C         3.7852610884        7.8449893670       13.0888569279
  C         3.7064626464        6.9145157304       14.3189072218
  C         3.6674118523        5.4301073914       13.9188015770
  C         4.8638757055        5.0723657743       13.0344661572
  C         4.8000561529        5.8909586646       11.7447033490
  C         4.8251988880        7.3965388998       12.0431744419
  C         2.5849394221       10.2079075715       14.3766620934
  C         2.6548759426       10.1129999316       15.9067160433
  P         4.3377442264       10.6099183285       16.5309059157
  C         4.1468151164       12.3841974925       17.0431838597
  C         4.0028231084       13.2729448150       15.7879064103
  C         4.0783842822       14.7722008835       16.1120399140
  C         5.3749847911       15.0862353231       16.8621236508
  C         5.4117659310       14.3004613560       18.1743248372
  C         5.3342980738       12.7887603884       17.9403424019
  C         4.5772700238        9.6704730596       18.1056525226
  C         4.9293111873        8.1945337904       17.8380708824
  C         5.2194366159        7.4708323063       19.1601496872
  C         4.0240567724        7.5742098475       20.1181686992
  C         3.3918416802        9.8058161293       19.0745841137
  C         3.6574715535        9.0422977325       20.3829001620
  C         4.3648822181       10.5472927090       12.0300364309
  C         4.7047124498       12.0267612800       12.2954913848
  C         5.0092579944       12.7607630071       10.9793608930
  C         3.8670838444       12.6100483290        9.9638140696
  C         3.4971401532       11.1371398533        9.7389785403
  C         3.1826051487       10.4189897585       11.0618313485
  C         7.8016719695       11.1861105207       15.5502671018
  C         7.5808915796        8.6899404996       14.3536699713
  C         8.4807848154        8.9340371773       15.5829436643
  C         9.6114315624        9.7796599762       14.9343644116
  C         8.6217883596       10.7990508839       14.3030796722
  C         7.7227292873       10.0420463681       16.3469926289
  C         7.6676240614        9.8369431089       13.5601863229
  H         2.7924909487        7.8686356919       12.6096790985
  H         4.5791237894        7.0869901130       14.9677076384
  H         2.8177410222        7.1634272809       14.9183265611
  H         2.7405021397        5.2093913097       13.3721538415
  H         3.6441114130        4.8193737789       14.8283204439
  H         5.8007677040        5.2819428502       13.5728913656
  H         4.8819839819        3.9981094852       12.8045757874
  H         5.6329467585        5.6451678389       11.0718648850
  H         3.8774114150        5.6347512964       11.2045715943
  H         4.6512219385        7.9525793486       11.1163290114
  H         5.8347496845        7.6707637401       12.3819155967
  H         2.4651136420       11.2532506060       14.0601322633
  H         1.7242110104        9.6522692131       13.9778150442
  H         1.8791357412       10.7273384475       16.3855783893
  H         2.4958900328        9.0759371311       16.2332097144
  H         3.2164398347       12.4579397137       17.6289678409
  H         4.8046414123       13.0221137551       15.0763316867
  H         3.0527263959       13.0473759266       15.2830936596
  H         4.0025540922       15.3451454152       15.1764938761
  H         3.2177155085       15.0686066664       16.7287390738
  H         5.4703992102       16.1610630297       17.0651134719
  H         6.2401193674       14.8195645845       16.2359803608
  H         6.3203651094       14.5281247371       18.7451705417
  H         4.5611619594       14.6126873472       18.7964886608
  H         6.2762317724       12.4464022019       17.4883746192
  H         5.2562489982       12.2754755313       18.9089925553
  H         5.4610961405       10.1419246288       18.5661001823
  H         5.7917564415        8.1358523205       17.1562307868
  H         4.0939127319        7.6960614977       17.3255935995
  H         6.1052558988        7.9255887120       19.6275535546
  H         5.4770467323        6.4201066731       18.9650021818
  H         4.2432426622        7.0614019455       21.0645463333
  H         3.1617470901        7.0555898594       19.6743686994
  H         3.1854778501       10.8628677361       19.2867011263
  H         2.4898519272        9.3984721714       18.6003311649
  H         4.4825530231        9.5304237986       20.9258186263
  H         2.7694795162        9.1075252000       21.0284395572
  H         5.2485890874       10.0819213160       11.5628272107
  H         5.5606676256       12.0966132950       12.9867544832
  H         3.8560767417       12.5151399950       12.7974106483
  H         5.1961592174       13.8240984682       11.1854212955
  H         5.9410452777       12.3611290037       10.5543367460
  H         4.1476746799       13.0809121226        9.0101882254
  H         2.9824062974       13.1518331553       10.3251495671
  H         2.6291980373       11.0566582433        9.0685076731
  H         4.3356138116       10.6201398863        9.2450483955
  H         2.2856893225       10.8599123941       11.5177497629
  H         2.9476730335        9.3658654762       10.8712889615
  H         7.6090416762       12.2124605629       15.8510554225
  H         7.2199891737        7.7092293856       14.0556589605
  H         8.7538327426        8.0466628257       16.1592732994
  H        10.2873173494       10.2325333142       15.6701021298
  H        10.1848704990        9.2206569009       14.1889746150
  H         9.0265381836       11.6297900394       13.7186512256
  H         7.4817945060       10.0008933327       17.4052978373
  H         7.3923303413        9.9313560808       12.5131141825
 Rh        12.6607490450        9.8021752552        4.6972931291
  P        14.3000314641       10.0584312614        6.1682394488
  C        14.4354383281       11.8622883614        6.6640096316
  C        14.7214422755       12.8288893606        5.4971269538
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  H        11.6150126672        7.3941352895        5.3913157737
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  F         7.3491225727       10.8244229994       -0.2351475643
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  C         7.0078589810        8.8496200842        1.6756232765
  C         6.4463943886        7.8477664420        2.4602345393
  C         5.5357486748        8.1591200954        3.4836295085
  C         5.1507860292        9.4828203539        3.7676876363
  C         5.7269798022       10.4813640077        2.9515639024
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  C         2.5810634034        7.8560772257        4.6585880532
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  C         1.8908941390        7.6031659572        7.3248559064
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  C         1.5832467496        7.5053874657        8.7979757463
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  F         2.6867525216        7.1597022955        9.5334914464
  F         1.1756571862        8.7167924098        9.3107507535
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  F         0.1940105439        5.0743521902        4.3299640941
  F         0.6517126665        6.7255744638        2.9280026790
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  C         6.8583180757        9.3846462682        7.9407869801
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  F        11.2165512908        9.0174775445       20.2228542629
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  C        11.8877776582       12.0127394854       17.3089986105
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  C        13.2448890907       10.3744568641       16.0783362352
  C        12.7671300276        9.4034455799       16.9841630598
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  C        15.7654536910       12.0551649858       15.2254596039
  C        16.7021570045       13.0211247919       14.8373054083
  C        17.0862718756       13.1518615619       13.4978142772
  C        16.5058096569       12.2879417453       12.5612042498
  C        15.5666647063       11.3296585711       12.9597888890
  C        16.8419381647       12.3976644900       11.0970346270
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  F        15.7543369607       12.8160321002       10.3459349201
  F        17.2355028992       11.1909694933       10.5614163776
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  F        18.1483375708       14.8385925904       15.4058371629
  F        17.8386674549       13.2541811143       16.9338097885
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  C        11.4648335989       10.4127635676       11.8808298083
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  C        11.6023231089        8.0755578327       12.3850923192
  C        12.5801570393        8.3400758297       13.3498001237
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  F        11.9228638357        5.6912147348       12.4653446176
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  F        10.6239428276       12.6602568446       11.7441537761
  F        11.7669920071       11.8874754550       10.0451551993
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  C        15.8576024511        8.5675267747       16.2867356544
  C        16.8096994666        7.5583218435       16.4642894744
  C        17.1149248836        6.6676635259       15.4317474944
  C        16.4826084411        6.8320125740       14.2071665273
  C        15.5607400789        7.8666127538       14.0131654677
  C        17.4842283119        7.2668080511       17.7705929828
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  F        16.7937299671        6.3144497093       18.4807781094
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  F        10.4812079779       13.7340768032       16.4318906447
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  H        15.1144963740        7.9835351958       13.0270920657
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  F         3.3595297074       17.0875592913       18.6313860084
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  C         2.9236544625       23.0646195414       17.4348574540
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  C         8.2430111409       17.3089033613       16.4684960902
  C         8.6414447632       16.4172753851       15.4720169469
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  C         8.4235365834       15.5966276564       13.1144420331
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  F         9.1081415823       16.2276799237       12.1007275468
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  F        10.0142928560       16.5640341662       17.8927949271
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  F         9.2705170894       22.8896777350       17.0027447479
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  C         4.0531437817       17.9795848817       13.2695544436
  C         3.0838773041       17.6953552512       12.2962661824
  C         2.5603404622       18.7113131294       11.4956911843
  C         3.0187835407       20.0179820110       11.7022291596
  C         3.9801105408       20.2954511063       12.6775777461
  C         2.3991412321       21.1148498641       10.8862464827
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  F         3.4285442932       15.3141195531       12.3965549955
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  F        15.0495026485        2.8843207559        1.1016154006
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  C        14.2300344855        0.9247302883        2.9989420766
  C        13.7348328621       -0.0708248785        3.8701333927
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  C        15.0056859142       -1.7036673155        2.5569425482
  C        15.4552854833       -0.7139393284        1.6822660523
  C        15.4681104088       -3.1194222676        2.3840730639
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  F        14.4479807274       -4.0414454596        2.4966540287
  F        16.4092053490       -3.4512138958        3.3549564674
  B        12.7892302335        0.2693424989        5.1622657485
  C        11.7355967664        1.4798532918        4.8486111112
  C        11.1256093260        1.5914664236        3.5839565283
  C        10.1461385531        2.5526789386        3.3206707189
  C         9.7315363902        3.4528302296        4.3068452657
  C        10.3171752323        3.3509674611        5.5660304280
  C        11.2905373337        2.3775355681        5.8333180280
  C         9.9536433162        4.3104543951        6.6596926041
  F        11.0923503039        4.8782662744        7.1887497441
  F         9.1363634229        5.3316357043        6.2380293354
  F         9.3073155451        3.6816853278        7.6993803981
  C         9.6234867027        2.7185823493        1.9289222431
  F         9.4968369268        1.5334695167        1.2493923565
  F         8.4030413974        3.3406680264        1.9038030276
  F        10.4693113836        3.4750592848        1.1643559148
  C        11.7901518756       -0.9677301804        5.5538224309
  C        11.2522075059       -1.8454833140        4.5946768820
  C        10.2937219279       -2.8090179101        4.9277614419
  C         9.8226646334       -2.9365518958        6.2374951915
  C        10.3413859990       -2.0715470470        7.1996030344
  C        11.3015605654       -1.1098897782        6.8640452373
  C         9.9455295467       -2.1879733390        8.6399562201
  F         9.5857646707       -0.9740987337        9.1688444504
  F         8.9072559808       -3.0504271883        8.8703775588
  F        11.0138217483       -2.6145165510        9.3930990374
  C         9.7521638059       -3.6988611275        3.8499584857
  F         8.8177043785       -4.5677601868        4.3253594361
  F        10.7198420376       -4.4529820859        3.2283686654
  F         9.1413851135       -2.9678300521        2.8547307131
  C        13.8520413692        0.6109406776        6.3593782362
  C        14.3430500105        1.9097511356        6.5711510369
  C        15.3245821435        2.1860513563        7.5325951254
  C        15.8653812152        1.1724997348        8.3204105735
  C        15.4105494505       -0.1331655265        8.1057965153
  C        14.4300599178       -0.4061746954        7.1468381786
  C        16.0231918292       -1.2294085297        8.9241136982
  F        16.0414834310       -0.8761224314       10.2632864603
  F        17.3294538181       -1.4916657298        8.5810652079
  F        15.3721741397       -2.4176474847        8.8049778191
  C        15.8736036390        3.5764155152        7.6245406123
  F        16.4769912952        3.8579580884        8.8099800459
  F        14.9135972430        4.5290354306        7.4084689386
  F        16.8287881135        3.7878133088        6.6604811427
  H        13.9543188739        1.9655894814        3.1632766953
  H        13.8663950684       -2.1809480099        4.3094900754
  H        16.0986079129       -0.9650704517        0.8434660955
  H        11.4215085337        0.9137854428        2.7840359922
  H         8.9908773063        4.2169957883        4.0927264721
  H        11.7151032222        2.3313434733        6.8353397586
  H        11.5832001683       -1.7806430417        3.5589270919
  H         9.0871438651       -3.6893635638        6.5017431188
  H        11.6752122052       -0.4526418845        7.6480406934
  H        13.9589025636        2.7343823475        5.9727531702
  H        16.6209239433        1.3913790384        9.0713026493
  H        14.1100208509       -1.4374585698        7.0093816634
  H        10.8041394001       11.7711591821        4.7466427629
  H        11.6061384787       10.0653746469        3.1347783716
     646
 i =      112, E =         0.0050613199
 Rh         3.6423534443        0.2388019225        4.8198408385
  P         5.3879494178        0.6383673404        6.2858293899
  C         5.2295954459       -0.3022208499        7.8721431299
  C         4.8335210405       -1.7765310813        7.6653474264
  C         4.5353049826       -2.4362020413        9.0222523945
  C         5.7205236113       -2.3134832969        9.9905739276
  C         6.1872159296       -0.8580658106       10.1416730683
  C         6.4630511398       -0.1934702317        8.7822150707
  C         5.6703483481        2.4056459175        6.8046885824
  C         4.6399604517        2.8198312942        7.8794652775
  C         4.6226708553        4.3301825697        8.1682469430
  C         4.5405083936        5.1615888613        6.8852927883
  C         5.6980640550        4.8028482875        5.9511815562
  C         5.6272493452        3.3207130294        5.5620364591
  C         7.0002798678        0.0927872744        5.5195794279
  C         6.9722827383        0.2297126622        3.9885383820
  P         5.3093419710       -0.2370100120        3.2920311797
  C         5.4639536990       -2.0242575177        2.7883973293
  C         4.3732697347       -2.4025054430        1.7664250647
  C         4.3799716794       -3.9028127664        1.4546093568
  C         4.2430750474       -4.7470686837        2.7235690837
  C         5.3746852006       -4.4246959897        3.7042097032
  C         5.4092310458       -2.9248945895        4.0440497861
  C         5.1319136185        0.7053199919        1.7080617022
  C         4.8538819640        2.2057678283        1.9235279124
  C         4.4310541398        2.8414228839        0.5882690193
  C         5.4954476479        2.6384688052       -0.5017835421
  C         5.8985022755        1.1616211649       -0.6488171181
  C         6.2794808541        0.5225848921        0.7000073657
  C         1.8822852398        0.3161756376        3.4709038627
  C         1.9082955762       -0.9344792413        4.0943483391
  C         1.0744604989       -0.8064916651        5.3831814582
  C         1.9422301039        0.1241962094        6.2571202079
  C         1.9146140248        1.3746629833        5.6380868018
  C         1.0303667224        1.2272858790        4.3830811598
  C        -0.0096814421        0.1963285355        4.9016963097
  H         4.3829726874        0.1971715133        8.3719530249
  H         5.6509024969       -2.3164026066        7.1641367069
  H         3.9596450926       -1.8452594054        6.9999481764
  H         4.2691677245       -3.4927999551        8.8766881322
  H         3.6502756559       -1.9529947413        9.4613687603
  H         5.4436632929       -2.7231103775       10.9729011117
  H         6.5558115888       -2.9278631293        9.6280172706
  H         7.0959493327       -0.8074254634       10.7595924211
  H         5.4094293987       -0.2810242216       10.6662501616
  H         6.7605678058        0.8529564487        8.9298964513
  H         7.3123473333       -0.6913838962        8.2967533519
  H         6.6812939949        2.4586607030        7.2405474783
  H         4.8460101665        2.2804563405        8.8138353612
  H         3.6356176673        2.5056150014        7.5626980095
  H         5.5324848935        4.6122084802        8.7172152291
  H         3.7769533821        4.5532736562        8.8347381893
  H         4.5458807866        6.2323216522        7.1319545434
  H         3.5871193556        4.9726185290        6.3697412738
  H         6.6529323705        5.0103283035        6.4535932739
  H         5.6846787667        5.4191070472        5.0429755049
  H         6.4493815586        3.0674365137        4.8765328860
  H         4.6930417323        3.1326619075        5.0077679358
  H         7.8382870999        0.6553791614        5.9556924305
  H         7.1397608598       -0.9588287021        5.8080491811
  H         7.7653599453       -0.3677347197        3.5161303425
  H         7.1410753319        1.2752637746        3.6946335629
  H         6.4495374192       -2.1423724044        2.3092790682
  H         4.5043912805       -1.8334692239        0.8361494823
  H         3.3840749108       -2.1238787318        2.1534442063
  H         5.3183848526       -4.1618581894        0.9433519986
  H         3.5666876123       -4.1254991577        0.7524187107
  H         4.2405176072       -5.8147986104        2.4646364990
  H         3.2699492883       -4.5504162741        3.1977985954
  H         5.2575866072       -4.9952972230        4.6378563982
  H         6.3371990762       -4.7299593727        3.2684082166
  H         6.2706576734       -2.7154412746        4.6943586227
  H         4.5113801759       -2.6607292743        4.6260836474
  H         4.2186164686        0.2679170371        1.2709712590
  H         5.7617264164        2.7025765109        2.2975684666
  H         4.0764743365        2.3487548592        2.6896359053
  H         4.2272531192        3.9124574352        0.7266558642
  H         3.4822940719        2.3856720698        0.2671760569
  H         6.3854231001        3.2370013915       -0.2583664313
  H         5.1213553173        3.0221171535       -1.4624237456
  H         6.7405074371        1.0669183463       -1.3503845127
  H         5.0591875296        0.5957607732       -1.0839047229
  H         7.1833862751        1.0055562294        1.0923018866
  H         6.5269223085       -0.5371697640        0.5575167971
  H         2.1179888136        0.5346522232        2.4331211227
  H         2.1762421529       -1.8874447570        3.6481543495
  H         0.7571500101       -1.7450346494        5.8439313073
  H         2.2333548938       -0.0944140308        7.2805885294
  H         2.1898412165        2.3295115078        6.0762736325
  H         0.6699591821        2.1577203642        3.9373298507
  H        -0.6308698537        0.5827196569        5.7161097721
  H        -0.6392991706       -0.2113076082        4.1039422746
 Rh        14.7184848159       19.6363166573       14.9748164209
  P        12.9549480768       19.2060934799       13.5265088927
  C        13.1286714573       20.1890780718       11.9624364895
  C        13.5056382478       21.6615013451       12.2123376299
  C        13.8474994722       22.3572057257       10.8843328938
  C        12.6904616264       22.2552964503        9.8807490848
  C        12.2545761311       20.7975789326        9.6719882563
  C        11.9348586500       20.0890913322       11.0012381962
  C        12.6615685993       17.4549931309       12.9587321461
  C        13.6737145767       17.0370013739       11.8705134656
  C        13.6026754480       15.5346914594       11.5551801961
  C        13.7837178849       14.7015851528       12.8266719679
  C        12.6818710759       15.0364956613       13.8362169424
  C        12.6943149896       16.5304103583       14.1964295057
  C        11.3339732517       19.6965260444       14.3270160616
  C        11.4088764777       19.6713182050       15.8652962403
  P        13.0850097910       20.1691027025       16.5119375274
  C        12.9225565553       21.9682441334       16.9584979446
  C        13.9856085648       22.4221062273       17.9815983346
  C        13.9938029682       23.9485752231       18.1733823600
  C        14.0872018456       24.7081861512       16.8461523325
  C        12.9466172509       24.2981929492       15.9126312131
  C        13.0020727446       22.7885404453       15.6529638759
  C        13.3287903408       19.2277851597       18.0895597366
  C        13.5984772493       17.7362717428       17.8066499149
  C        14.0346708457       17.0209394466       19.0934912828
  C        12.9846954066       17.1768719017       20.2042618672
  C        12.6230885806       18.6523926453       20.4466840276
  C        12.2260768358       19.3857665431       19.1491489361
  C        16.4471386648       19.6283689455       16.3545993537
  C        16.4655152699       20.8217790710       15.6254573764
  C        17.3225772213       20.5591939030       14.3715048769
  C        16.4451861865       19.5798908897       13.5606813926
  C        16.4224251089       18.3879531162       14.2862737464
  C        17.2879804977       18.6186445374       15.5426909608
  C        18.3689188703       19.5742463656       14.9634830371
  H        13.9986207941       19.7079030334       11.4841313085
  H        12.6635814210       22.1835355160       12.6907630098
  H        14.3527193573       21.7208798138       12.9129282453
  H        14.1055276923       23.4095638020       11.0680887383
  H        14.7479691733       21.8884747851       10.4598514723
  H        12.9843142283       22.7030417196        8.9197881685
  H        11.8363356688       22.8436830132       10.2445860339
  H        11.3727787001       20.7502462424        9.0159614388
  H        13.0630967199       20.2498563712        9.1626594738
  H        11.6637627050       19.0430497749       10.8100357416
  H        11.0562742855       20.5569714364       11.4638158684
  H        11.6506140984       17.4260450105       12.5200739007
  H        13.4921073217       17.6126716593       10.9528607326
  H        14.6956807599       17.2855061788       12.1924596239
  H        12.6293390709       15.2961220308       11.1018340268
  H        14.3664072600       15.2840051747       10.8051326829
  H        13.7843440732       13.6292066415       12.5863672240
  H        14.7686805767       14.9115063784       13.2708254771
  H        11.7058865045       14.7550921882       13.4171588392
  H        12.8062846571       14.4569672996       14.7609415924
  H        11.8437564491       16.7632114861       14.8553788014
  H        13.6028910031       16.7527036466       14.7788432151
  H        10.5350770252       19.0308517106       13.9686300348
  H        11.0866262312       20.7048406208       13.9668145808
  H        10.6304158367       20.3061805235       16.3126402454
  H        11.2390021646       18.6512604452       16.2375256260
  H        11.9226371362       22.1054772168       17.4009462978
  H        13.8068541391       21.9386611023       18.9524283188
  H        14.9839064859       22.0954880838       17.6588772223
  H        13.0761623333       24.2540581794       18.6961200630
  H        14.8323600166       24.2214813958       18.8281293965
  H        14.0723083422       25.7898842835       17.0352187213
  H        15.0520368313       24.5048338799       16.3583529437
  H        13.0038075322       24.8298115944       14.9524774286
  H        11.9795346199       24.5639498475       16.3624080666
  H        12.2007410990       22.4874496480       14.9640364085
  H        13.9491047236       22.5441865563       15.1446398112
  H        14.2568516158       19.6636116586       18.4971503279
  H        12.6823744870       17.2637164436       17.4210836908
  H        14.3612281417       17.6312107938       17.0191111182
  H        14.2164935987       15.9572159696       18.8821020705
  H        14.9967084914       17.4386655057       19.4268664470
  H        12.0790993812       16.6172254073       19.9277702317
  H        13.3525964541       16.7237475313       21.1363034355
  H        11.7974364224       18.7228759591       21.1704267221
  H        13.4852128099       19.1674291811       20.8996531902
  H        11.2856063838       18.9677265960       18.7659550628
  H        12.0353695269       20.4452669298       19.3618619844
  H        16.1961675213       19.5106216813       17.4046910272
  H        16.2126200455       21.8154761041       15.9851903985
  H        17.6770703364       21.4440694286       13.8376348924
  H        16.1774258521       19.7153976506       12.5168808297
  H        16.1193754177       17.4069412737       13.9302927207
  H        17.6088538868       17.7210377946       16.0767602411
  H        18.9994968606       19.1030300150       14.2015719395
  H        18.9907237419       20.0337418713       15.7408015298
 Rh         5.9625622155       10.0619382412       14.9862761485
  P         4.1642060870        9.5941170937       13.6040240446
  C         3.7860478138        7.8451293091       13.0886353613
  C         3.7076685907        6.9150785609       14.3189573885
  C         3.6680329963        5.4306089468       13.9192674352
  C         4.8639487525        5.0721707970       13.0345171103
  C         4.8005802601        5.8910029306       11.7448884330
  C         4.8263988603        7.3965215805       12.0435050542
  C         2.5846695374       10.2077434669       14.3764244262
  C         2.6545685541       10.1127824507       15.9065313357
  P         4.3373691282       10.6096470947       16.5310665415
  C         4.1469585222       12.3840674020       17.0430888740
  C         4.0033692947       13.2726364557       15.7876113762
  C         4.0785890836       14.7719608922       16.1115669281
  C         5.3747755535       15.0864445275       16.8621963417
  C         5.4116229527       14.3004237472       18.1742574236
  C         5.3346451536       12.7887307022       17.9399788457
  C         4.5767828852        9.6701498878       18.1059537557
  C         4.9283648658        8.1941150368       17.8382769346
  C         5.2187762064        7.4702270305       19.1602047234
  C         4.0238444514        7.5738429709       20.1187601273
  C         3.3917302482        9.8057852892       19.0753361945
  C         3.6575576820        9.0420278173       20.3835523215
  C         4.3646150567       10.5477303444       12.0294966682
  C         4.7048419848       12.0271350785       12.2948937076
  C         5.0099638449       12.7607428035       10.9786701032
  C         3.8674918802       12.6108263557        9.9633647568
  C         3.4968867618       11.1381054990        9.7384379455
  C         3.1823326305       10.4198102097       11.0612289386
  C         7.8008188531       11.1861396142       15.5504730208
  C         7.5806149615        8.6899792081       14.3538142578
  C         8.4803494013        8.9341824830       15.5831606726
  C         9.6108933639        9.7800600442       14.9347502134
  C         8.6211391327       10.7992720694       14.3033319146
  C         7.7219741111       10.0420359109       16.3471858625
  C         7.6672196712        9.8370085537       13.5603242088
  H         2.7933780785        7.8680247369       12.6091661973
  H         4.5808297681        7.0876178146       14.9671442840
  H         2.8194162471        7.1643599443       14.9189257125
  H         2.7407568621        5.2101057864       13.3730918731
  H         3.6449146890        4.8200930587       14.8289518694
  H         5.8011706058        5.2808666078       13.5727615069
  H         4.8811517741        3.9979252566       12.8044417038
  H         5.6333168387        5.6447750553       11.0720132026
  H         3.8777642147        5.6353545320       11.2047009001
  H         4.6533167694        7.9528153318       11.1166527080
  H         5.8358920265        7.6701603333       12.3829720851
  H         2.4645135750       11.2530609873       14.0599447348
  H         1.7240695879        9.6518868713       13.9775881175
  H         1.8786801478       10.7269583348       16.3853467586
  H         2.4956717696        9.0756760398       16.2329505615
  H         3.2166653784       12.4582906452       17.6289255889
  H         4.8055767985       13.0217412649       15.0764799474
  H         3.0535719703       13.0469006066       15.2823696709
  H         4.0031060252       15.3447201266       15.1759065968
  H         3.2175763194       15.0682969814       16.7278180907
  H         5.4695124858       16.1612859836       17.0654726550
  H         6.2402901995       14.8204418610       16.2362761677
  H         6.3201015750       14.5282781785       18.7451981688
  H         4.5608703988       14.6122601864       18.7964150170
  H         6.2765209432       12.4468689061       17.4874822871
  H         5.2572423760       12.2751680979       18.9085040779
  H         5.4608414461       10.1413772376       18.5661515317
  H         5.7905700277        8.1352159396       17.1561694079
  H         4.0926586190        7.6958511503       17.3260767891
  H         6.1049367897        7.9246274101       19.6272960396
  H         5.4759454742        6.4194434913       18.9648486926
  H         4.2434781397        7.0611669159       21.0650982757
  H         3.1612688497        7.0552226653       19.6755030886
  H         3.1858871446       10.8628614403       19.2877336248
  H         2.4893816124        9.3988633772       18.6014109622
  H         4.4828436976        9.5299458855       20.9263464082
  H         2.7697430192        9.1073422541       21.0292973133
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 Rh        12.6606456197        9.8024170965        4.6973010882
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  H        12.5677780413       12.2078987003        0.2007114108
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  H        13.2845670246        9.6912728720        8.2480494210
  H        12.9235150419        7.5799115169        6.9650952626
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  H        12.5363586008        7.6815006816        9.4271765352
  H        14.2966962863        6.9045302534       11.0071662547
  H        15.4139154362        6.6401842533        9.6758218235
  H        15.9549589198        8.8048897834       10.7348696491
  H        14.2717367866        9.3329154052       10.5980429176
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  H        15.6227392648       10.4044917490        8.8484242428
  H        10.0455174555       10.0899110792        2.4664311034
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  H         8.5291905574        8.1947575955        5.5765918299
  H        10.0036704474        7.7753167541        3.3770262759
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  H        11.6150768598        7.3951699919        5.3935908389
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  F         7.3490836508       10.8243967020       -0.2352204002
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  C         7.0072745185        8.8495727236        1.6751576968
  C         6.4463704499        7.8477536479        2.4602182235
  C         5.5361978317        8.1591829432        3.4840440482
  C         5.1510707319        9.4829371241        3.7680014128
  C         5.7273014418       10.4814566081        2.9518120377
  B         4.2385236866        9.8962085723        5.0747696446
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  C         2.5812627220        7.8558887093        4.6587305077
  C         1.6560703456        6.8805621630        5.0596780997
  C         1.2928556477        6.7372009201        6.4000508968
  C         1.8907720180        7.6032987949        7.3248131162
  C         2.8332149651        8.5570197875        6.9183883645
  C         1.5832803176        7.5055842307        8.7980840130
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  F         2.6867598559        7.1597452107        9.5334257626
  F         1.1757283995        8.7167351897        9.3106172089
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  F         0.1939153884        5.0742952500        4.3299966477
  F         0.6516722543        6.7256403297        2.9279274188
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  C         5.9061926341        9.1885248314        6.9397539817
  C         6.8583193129        9.3847823447        7.9410543010
  C         7.3133175661       10.6701624162        8.2506109511
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  C         5.8526801840       11.5262722388        6.4944870682
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  F         6.3557179589       14.0814952997        7.4846017510
  F         8.3394813366       13.4810159116        6.8172261477
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  F         7.4255937189        7.0994846687        7.7768396887
  F         6.2866960980        7.7320211157        9.5346479564
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  C         1.6673047048       12.2674725354        3.2882765421
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  C         2.7976227386       12.0233479671        5.7931696270
  C         1.1062562755       12.3799514425        1.9152878333
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  F         1.8935054612       13.1557205840        1.0973258616
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  F         7.4985918624        5.8847588551        3.2979167379
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  F         0.8948422215       13.3791395717        7.6962014958
  F         2.6778827165       14.5682251360        7.1196405941
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  H         5.1222217944        7.3427800116        4.0748004446
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  H         0.5521398884       13.9503356220        4.0729550825
  H         3.2081053602       11.9380605310        6.7985120101
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  F        11.2166159987        9.0174229273       20.2227313043
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  C        11.4359933272       11.0391514598       18.1996840875
  C        11.8878824799       12.0127809690       17.3090218612
  C        12.7688005833       11.6835860260       16.2701007552
  C        13.2447907834       10.3744879274       16.0782852506
  C        12.7668613584        9.4033622347       16.9839259103
  B        14.1559548725        9.9822292005       14.7699292573
  C        15.1610921764       11.1874313787       14.3005057686
  C        15.7651872087       12.0553496197       15.2254406530
  C        16.7020307815       13.0211550815       14.8372929963
  C        17.0862681874       13.1518463400       13.4977901174
  C        16.5059116955       12.2879227309       12.5610851291
  C        15.5668392734       11.3295673027       12.9598028671
  C        16.8418178940       12.3977124559       11.0969732304
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  F        15.7544336193       12.8159826591       10.3460652709
  F        17.2355288943       11.1909100368       10.5614357131
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  F        18.1483451999       14.8386171463       15.4058088839
  F        17.8386544751       13.2541421927       16.9337863682
  C        13.0502830354        9.6450053328       13.5979395689
  C        12.4469155000       10.6742994574       12.8461001883
  C        11.4649461782       10.4125391198       11.8807946924
  C        11.0402176495        9.1074047672       11.6315516185
  C        11.6020555988        8.0754732863       12.3849207045
  C        12.5796856625        8.3402423070       13.3499833148
  C        11.0274298319        6.6993745800       12.2313009982
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  F        11.9227882209        5.6912681443       12.4653401448
  F        10.0062934688        6.4975119264       13.1313346458
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  F        10.6237487388       12.6604024978       11.7444584945
  F        11.7672935555       11.8871284710       10.0448458833
  C        15.1932946515        8.7418999673       15.0502026632
  C        15.8575629165        8.5673850422       16.2867172630
  C        16.8096966370        7.5584531771       16.4644359792
  C        17.1149768431        6.6679073390       15.4316215076
  C        16.4821846621        6.8324120963       14.2070917994
  C        15.5604283410        7.8665326753       14.0129785835
  C        17.4842286832        7.2668395820       17.7704462020
  F        17.6135113231        8.3288285680       18.6222228376
  F        16.7938201446        6.3145533553       18.4807820983
  F        18.7591349727        6.7893817871       17.5409248676
  C        11.3917306115       13.4255209412       17.4301532278
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  F        10.4812046660       13.7339929613       16.4318799923
  F        12.4023178033       14.3403294910       17.3058307744
  F        17.6300881991        4.8715755899       13.4871914419
  F        17.3765050506        6.5265433192       12.0283270503
  F        15.6573962316        5.2685032193       12.6116625416
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  H        10.7417622679       11.2943759940       18.9955417410
  H        13.0872988835       12.4720649977       15.5894823504
  H        13.0782216883        8.3671711659       16.8671362745
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  H        17.7984690019       13.9126766428       13.1931463713
  H        15.1359503623       10.6792822090       12.1998490340
  H        12.7468512174       11.7079962401       13.0164495177
  H        10.2737871206        8.9001002687       10.8916649148
  H        12.9797987516        7.5071629136       13.9260386223
  H        15.6306458651        9.2315934929       17.1204458726
  H        17.8240810033        5.8621556566       15.5864877655
  H        15.1142687556        7.9832412853       13.0275185688
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  F         3.3603225313       17.0876903776       18.6304986987
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  C         4.1831987961       19.0335997960       16.8416531895
  C         4.6933321758       20.0200132946       15.9725472316
  C         4.2745755066       21.3383120059       16.2218741549
  C         3.4396616819       21.6641244631       17.2988883266
  C         2.9693860525       20.6791566193       18.1633594793
  C         2.9236059022       23.0647413015       17.4350121569
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  F         3.9024450811       24.0238917473       17.3050949779
  F         1.9924705735       23.2934376011       16.4315943744
  B         5.6121765396       19.6385518637       14.6713711487
  C         6.6521694664       18.4139673047       14.9689118949
  C         7.2692781894       18.2809217717       16.2250525190
  C         8.2430143553       17.3088721434       16.4685005477
  C         8.6416103094       16.4174585214       15.4719565136
  C         8.0500090336       16.5426972415       14.2155958844
  C         7.0874511063       17.5292565020       13.9662864561
  C         8.4235465863       15.5966355516       13.1144418183
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  F         9.2157757337       14.5689528427       13.5620595653
  F         9.1081887412       16.2277031726       12.1007549076
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  F         8.9100172525       18.3673685978       18.4839392045
  F        10.0143199224       16.5640250504       17.8927968431
  F         7.9539089598       16.3794172495       18.6302599795
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  C         7.2105863052       21.7009653397       15.2298185941
  C         8.1643447958       22.6667834935       14.8891712075
  C         8.5937028796       22.8189004704       13.5673258838
  C         8.0402356965       21.9751773565       12.6040903819
  C         7.0848503138       21.0139404265       12.9480307317
  C         8.4043099596       22.1125166678       11.1580571705
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  F         9.3804505726       23.0322386845       10.9269480142
  F         7.3247544068       22.5147019302       10.4082013021
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  F         9.6016773338       24.4690249571       15.4764878776
  F         7.6876595598       24.3578118448       16.5045337530
  F         9.2704929041       22.8896802318       17.0027566378
  C         4.5427570799       19.2825174267       13.4799370569
  C         4.0531020648       17.9795558943       13.2695813394
  C         3.0838943323       17.6953515872       12.2963721544
  C         2.5602652591       18.7113296292       11.4958179848
  C         3.0187384101       20.0180661089       11.7023194209
  C         3.9800405146       20.2954688951       12.6776594770
  C         2.3991476841       21.1148698073       10.8863190652
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  F         1.0900447917       21.3345748794       11.2601572848
  F         3.0363412989       22.3170692743       10.9980852510
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  F         1.9323074106       16.0519687217       10.9844367797
  F         3.4285586087       15.3141165547       12.3965996019
  F         1.5223708404       16.1210194477       13.1306899027
  H         4.4391693061       17.9882229300       16.6731139319
  H         4.5997238463       22.1360886983       15.5564755498
  H         2.3111557673       20.9302162495       18.9904622278
  H         6.9868640970       18.9517654673       17.0348319530
  H         9.3753491063       15.6437247965       15.6748820559
  H         6.6653712634       17.6003664218       12.9649058378
  H         6.9083643010       21.6168087134       16.2728421620
  H         9.3192905858       23.5786703806       13.2955843473
  H         6.6817852307       20.3778963821       12.1613969046
  H         4.4310343815       17.1605251457       13.8798790490
  H         1.8084850953       18.4925848602       10.7412386786
  H         4.2993982287       21.3269126463       12.8141074505
  F        15.6190056080        1.2746189666       -0.2928343693
  C        15.6620022061        1.6683416747        1.0284346389
  F        16.9913175476        1.8962244663        1.3186884681
  F        15.0495636903        2.8844139099        1.1020070768
  C        15.0736739946        0.6119595123        1.9260643297
  C        14.2297060465        0.9246418421        2.9986191931
  C        13.7343989122       -0.0708774511        3.8698425060
  C        14.1764582537       -1.3828966320        3.6358135271
  C        15.0057220051       -1.7037486177        2.5568452137
  C        15.4557337769       -0.7138895799        1.6824733871
  C        15.4681956570       -3.1195114087        2.3841313861
  F        16.0485824505       -3.3176160817        1.1715276614
  F        14.4479654520       -4.0414046587        2.4966254938
  F        16.4091502120       -3.4511230899        3.3548888060
  B        12.7890911300        0.2694104178        5.1619722898
  C        11.7356830759        1.4800051308        4.8482965776
  C        11.1257152302        1.5917831043        3.5837158659
  C        10.1462122459        2.5529330052        3.3206676763
  C         9.7315602270        3.4530630324        4.3067535255
  C        10.3172894510        3.3510271874        5.5658843003
  C        11.2906471034        2.3776069595        5.8331047166
  C         9.9534188908        4.3103770963        6.6597183895
  F        11.0927872641        4.8785545153        7.1889292080
  F         9.1364886024        5.3315929730        6.2379716527
  F         9.3072480392        3.6816000178        7.6992340881
  C         9.6235291512        2.7186806911        1.9288928317
  F         9.4967109836        1.5335695876        1.2493750692
  F         8.4029793666        3.3405637204        1.9037099204
  F        10.4693306111        3.4751379106        1.1642439442
  C        11.7897486138       -0.9674585850        5.5535659764
  C        11.2516084785       -1.8450443872        4.5944310249
  C        10.2935270530       -2.8088841752        4.9276864028
  C         9.8227209017       -2.9366498081        6.2374962015
  C        10.3413307091       -2.0715240719        7.1995842488
  C        11.3013623809       -1.1097382576        6.8638728119
  C         9.9455292019       -2.1879668725        8.6399399699
  F         9.5858315972       -0.9740578215        9.1688254270
  F         8.9072700283       -3.0504508170        8.8703278162
  F        11.0138444577       -2.6144965773        9.3930775189
  C         9.7520969767       -3.6988436909        3.8499227256
  F         8.8176930851       -4.5677882429        4.3253336026
  F        10.7198252103       -4.4529753636        3.2283776073
  F         9.1413736970       -2.9678319166        2.8546856665
  C        13.8518936373        0.6107276182        6.3589388681
  C        14.3430989247        1.9096796846        6.5707816158
  C        15.3247363192        2.1863182609        7.5321088844
  C        15.8655939893        1.1725062610        8.3196799685
  C        15.4105216696       -0.1333288022        8.1054018838
  C        14.4299014378       -0.4063032188        7.1466915907
  C        16.0232289786       -1.2294489215        8.9240281992
  F        16.0414849955       -0.8760646761       10.2632367153
  F        17.3294678831       -1.4916281726        8.5810435869
  F        15.3721433682       -2.4176641722        8.8049365626
  C        15.8736174274        3.5760932189        7.6247890342
  F        16.4766456160        3.8579722257        8.8093556382
  F        14.9139792380        4.5290971026        7.4083863406
  F        16.8287481218        3.7880666914        6.6604696991
  H        13.9537229680        1.9654466729        3.1627385877
  H        13.8655092849       -2.1811725246        4.3087859458
  H        16.0996357226       -0.9649047915        0.8440911838
  H        11.4216043802        0.9141689508        2.7837281970
  H         8.9911149435        4.2172302651        4.0927576992
  H        11.7153695049        2.3313084723        6.8351656955
  H        11.5821020019       -1.7798349804        3.5585763326
  H         9.0874459931       -3.6896700811        6.5018235281
  H        11.6750569892       -0.4524402989        7.6478579654
  H        13.9587389342        2.7342244751        5.9721619460
  H        16.6215845443        1.3913558248        9.0701669520
  H        14.1095631534       -1.4374232985        7.0094891919
  H        10.8039327888       11.7714122169        4.7449171492
  H        11.6055018151       10.0645563552        3.1343040064
     646
 i =      113, E =         0.0003901108
 Rh         3.6424924386        0.2388692807        4.8198923650
  P         5.3880151492        0.6383726965        6.2859394857
  C         5.2296049047       -0.3024167029        7.8720951046
  C         4.8337468275       -1.7768004335        7.6651987568
  C         4.5352760250       -2.4364516073        9.0220251929
  C         5.7204800543       -2.3138914612        9.9904119094
  C         6.1871245174       -0.8584757171       10.1416815601
  C         6.4629497821       -0.1936382710        8.7823639212
  C         5.6703125605        2.4056688612        6.8048412418
  C         4.6397482398        2.8199345717        7.8794156888
  C         4.6230355935        4.3302518020        8.1683314462
  C         4.5406967336        5.1618357590        6.8854532373
  C         5.6978808488        4.8028810488        5.9509322767
  C         5.6273855042        3.3206549051        5.5620783005
  C         7.0003700278        0.0928313123        5.5196712028
  C         6.9724261482        0.2297550503        3.9885840592
  P         5.3094424964       -0.2369950175        3.2921254734
  C         5.4643458304       -2.0242412686        2.7885346447
  C         4.3738083308       -2.4024228388        1.7662864071
  C         4.3801148188       -3.9028950630        1.4548025825
  C         4.2432132559       -4.7469251908        2.7238961796
  C         5.3750562586       -4.4246258308        3.7043179369
  C         5.4094396157       -2.9248322720        4.0442127459
  C         5.1316143145        0.7051863168        1.7081310447
  C         4.8534510835        2.2056413688        1.9236311689
  C         4.4309982891        2.8414942332        0.5883112442
  C         5.4957248942        2.6386220473       -0.5014420129
  C         5.8983103701        1.1616918066       -0.6488029461
  C         6.2790783721        0.5222509806        0.6999516471
  C         1.8824003962        0.3162574793        3.4709714535
  C         1.9084054887       -0.9343990942        4.0944899552
  C         1.0745726342       -0.8062168330        5.3833398172
  C         1.9424901536        0.1246376446        6.2572732396
  C         1.9148551092        1.3748847489        5.6379682060
  C         1.0306174984        1.2274279825        4.3830283087
  C        -0.0095123422        0.1966354063        4.9017280827
  H         4.3828455755        0.1968151783        8.3718971398
  H         5.6513289745       -2.3165595101        7.1642334649
  H         3.9600454270       -1.8456415041        6.9995425561
  H         4.2690068753       -3.4930203425        8.8764443839
  H         3.6502954809       -1.9531321637        9.4611007449
  H         5.4436150118       -2.7236444459       10.9726806826
  H         6.5557551624       -2.9282360458        9.6277668683
  H         7.0958956933       -0.8079061154       10.7596027617
  H         5.4093515259       -0.2815573006       10.6663677225
  H         6.7602990759        0.8527965155        8.9301917438
  H         7.3123581259       -0.6913712590        8.2968415704
  H         6.6811692314        2.4587198878        7.2409049806
  H         4.8452932445        2.2803293933        8.8137254141
  H         3.6353867150        2.5062186975        7.5622590239
  H         5.5331374185        4.6119514665        8.7170148660
  H         3.7776158015        4.5536057597        8.8351168189
  H         4.5463111932        6.2323876485        7.1321084954
  H         3.5870447402        4.9729608120        6.3701894914
  H         6.6529233170        5.0108330702        6.4527993289
  H         5.6838602525        5.4188661680        5.0425187766
  H         6.4496802485        3.0674380425        4.8768435548
  H         4.6933156499        3.1323499250        5.0076440397
  H         7.8383870354        0.6554337846        5.9557993884
  H         7.1398272204       -0.9587370208        5.8081174468
  H         7.7654306434       -0.3677693786        3.5162728591
  H         7.1413117601        1.2752976128        3.6946578076
  H         6.4499835395       -2.1422656010        2.3096433660
  H         4.5055260544       -1.8337704144        0.8359795884
  H         3.3846080530       -2.1233380161        2.1529084322
  H         5.3183131967       -4.1622210637        0.9434384467
  H         3.5666243726       -4.1254256446        0.7528024075
  H         4.2405026130       -5.8147127425        2.4650438022
  H         3.2702227868       -4.5501345041        3.1982684409
  H         5.2581778236       -4.9952814553        4.6379568461
  H         6.3374668663       -4.7297539061        3.2683055096
  H         6.2708321544       -2.7153195102        4.6946055992
  H         4.5115647909       -2.6607357248        4.6261368606
  H         4.2182660761        0.2676746984        1.2712636360
  H         5.7611126643        2.7024523936        2.2980340696
  H         4.0757831420        2.3484290244        2.6894483763
  H         4.2272653138        3.9124994463        0.7268402238
  H         3.4823278674        2.3858690527        0.2668689201
  H         6.3857593950        3.2367906811       -0.2575666787
  H         5.1220258214        3.0226720192       -1.4621195700
  H         6.7403345716        1.0668423899       -1.3502802071
  H         5.0588462311        0.5961882833       -1.0840288205
  H         7.1831703353        1.0047914024        1.0922821075
  H         6.5259919042       -0.5375080723        0.5572698482
  H         2.1181225590        0.5345932497        2.4330880756
  H         2.1763021436       -1.8873614942        3.6483884101
  H         0.7572747195       -1.7446201926        5.8442359686
  H         2.2335795457       -0.0939121836        7.2805739384
  H         2.1902207202        2.3298949813        6.0760027696
  H         0.6702058310        2.1579371809        3.9371555427
  H        -0.6306477980        0.5831786024        5.7161870773
  H        -0.6391602396       -0.2110372915        4.1041184231
 Rh        14.7184926989       19.6363358792       14.9748268609
  P        12.9551103487       19.2061716746       13.5264939742
  C        13.1288485863       20.1890819246       11.9623728303
  C        13.5057409276       21.6615883953       12.2123895463
  C        13.8475399913       22.3573514624       10.8843622251
  C        12.6903981178       22.2554745647        9.8808101365
  C        12.2543976112       20.7977421624        9.6720808956
  C        11.9349199623       20.0892281154       11.0013497593
  C        12.6618236850       17.4549634119       12.9589643100
  C        13.6740532110       17.0369829585       11.8708603847
  C        13.6029315436       15.5347434242       11.5552837352
  C        13.7836386884       14.7013576078       12.8266798893
  C        12.6818469312       15.0364856638       13.8362360911
  C        12.6947354983       16.5303371656       14.1966623329
  C        11.3341505560       19.6970053532       14.3267147781
  C        11.4088017885       19.6711467729       15.8650202110
  P        13.0848742751       20.1690269819       16.5117719395
  C        12.9221748598       21.9681136935       16.9584814927
  C        13.9855994057       22.4217146408       17.9813132379
  C        13.9936284683       23.9480785489       18.1736143354
  C        14.0874035837       24.7078306471       16.8464812368
  C        12.9466889193       24.2983819135       15.9128450027
  C        13.0013025922       22.7886462818       15.6530323009
  C        13.3287921205       19.2278146641       18.0894128225
  C        13.5987078594       17.7362992545       17.8066329031
  C        14.0345537068       17.0210043235       19.0936054466
  C        12.9843202388       17.1770097544       20.2041463237
  C        12.6231055651       18.6526330902       20.4465722426
  C        12.2260792382       19.3858879752       19.1489779053
  C        16.4473377897       19.6281937089       16.3544932745
  C        16.4656069844       20.8217031198       15.6255471584
  C        17.3225278100       20.5592251552       14.3714104519
  C        16.4450456780       19.5800218414       13.5606094533
  C        16.4223789294       18.3879901747       14.2861313730
  C        17.2880195284       18.6185758404       15.5423978032
  C        18.3689650024       19.5742055032       14.9631657632
  H        13.9987739595       19.7080122675       11.4839988867
  H        12.6636605957       22.1835067193       12.6908021523
  H        14.3528156148       21.7209945776       12.9129188039
  H        14.1054644253       23.4096997875       11.0681704954
  H        14.7479787149       21.8886964846       10.4598267802
  H        12.9842363724       22.7031600618        8.9198677298
  H        11.8363582912       22.8438937699       10.2447053396
  H        11.3724833846       20.7505433909        9.0162570040
  H        13.0627907438       20.2500255080        9.1625364593
  H        11.6637876586       19.0431269288       10.8101157283
  H        11.0564252427       20.5570325885       11.4640868542
  H        11.6508628436       17.4258570706       12.5203492501
  H        13.4925952276       17.6127941685       10.9531970133
  H        14.6959778682       17.2854157885       12.1929391931
  H        12.6296980475       15.2963419574       11.1016872704
  H        14.3668298349       15.2840943745       10.8053891597
  H        13.7838436437       13.6290369628       12.5861420917
  H        14.7686344770       14.9108048288       13.2709066615
  H        11.7058011363       14.7554273259       13.4171516370
  H        12.8060922854       14.4567518443       14.7608899147
  H        11.8443722709       16.7632201579       14.8558558910
  H        13.6034765723       16.7524124260       14.7788490675
  H        10.5349478549       19.0319134751       13.9678696630
  H        11.0875163255       20.7055600141       13.9669231862
  H        10.6302260187       20.3057365963       16.3124810071
  H        11.2390371517       18.6509166893       16.2368222763
  H        11.9224375885       22.1051797100       17.4012797165
  H        13.8072851036       21.9378360512       18.9520364893
  H        14.9837695068       22.0953578793       17.6580507048
  H        13.0758594349       24.2533650034       18.6961680166
  H        14.8320302656       24.2208450539       18.8286202078
  H        14.0727921337       25.7895581733       17.0356852509
  H        15.0521863581       24.5042466290       16.3588088994
  H        13.0043897111       24.8299024028       14.9526629906
  H        11.9797379001       24.5647048892       16.3624213328
  H        12.1993245652       22.4881294705       14.9646244164
  H        13.9478491940       22.5438972867       15.1440607694
  H        14.2568414254       19.6637769805       18.4969108115
  H        12.6828022550       17.2636434400       17.4207539263
  H        14.3617330056       17.6313375193       17.0193687555
  H        14.2163834177       15.9572719210       18.8822896701
  H        14.9965236716       17.4386903370       19.4272437068
  H        12.0786519092       16.6177062081       19.9273253329
  H        13.3518505355       16.7236837796       21.1362113522
  H        11.7975642590       18.7233882584       21.1704047466
  H        13.4854159787       19.1674945430       20.8993510777
  H        11.2856329661       18.9678265111       18.7658412839
  H        12.0354107385       20.4454207890       19.3615735101
  H        16.1964158223       19.5103245689       17.4046506446
  H        16.2127807263       21.8153359234       15.9853796005
  H        17.6769314873       21.4441585848       13.8376143923
  H        16.1771537037       19.7156230067       12.5168331151
  H        16.1192449136       17.4070102917       13.9300637905
  H        17.6090073980       17.7208845904       16.0763505949
  H        18.9993584619       19.1030655701       14.2011191133
  H        18.9908613146       20.0336091956       15.7404259835
 Rh         5.9623197625       10.0618810467       14.9862754381
  P         4.1641466615        9.5943313398       13.6037714041
  C         3.7864718925        7.8452141576       13.0885248182
  C         3.7082523129        6.9153894988       14.3190126835
  C         3.6683601479        5.4308753982       13.9195395390
  C         4.8640017242        5.0720248713       13.0345249146
  C         4.8008261292        5.8910090741       11.7449652093
  C         4.8270153189        7.3965710483       12.0436076318
  C         2.5845216903       10.2076471600       14.3762871899
  C         2.6544166221       10.1126598791       15.9064244469
  P         4.3371691115       10.6095062331       16.5311632918
  C         4.1470895117       12.3840266066       17.0429904325
  C         4.0036358213       13.2724713315       15.7874899534
  C         4.0787244784       14.7718193702       16.1113035091
  C         5.3746540059       15.0865966354       16.8622393437
  C         5.4115795079       14.3003989710       18.1742000226
  C         5.3348068476       12.7886959933       17.9397708717
  C         4.5764799114        9.6699639331       18.1060616809
  C         4.9278369333        8.1938980211       17.8384106644
  C         5.2183922407        7.4699266158       19.1602258629
  C         4.0237394439        7.5737242765       20.1190371746
  C         3.3917116083        9.8057577899       19.0757558449
  C         3.6576262070        9.0418631240       20.3838315735
  C         4.3644868622       10.5479821893       12.0292306411
  C         4.7049813672       12.0273111398       12.2945503495
  C         5.0103094819       12.7607743386       10.9783248377
  C         3.8677377806       12.6112769464        9.9630954801
  C         3.4967282956       11.1386146022        9.7380768551
  C         3.1821766030       10.4201543047       11.0608990705
  C         7.8003912506       11.1861402710       15.5505444669
  C         7.5804526144        8.6899840227       14.3538559334
  C         8.4801245144        8.9342503420       15.5832985338
  C         9.6106377308        9.7802924563       14.9349564695
  C         8.6207893161       10.7994104015       14.3034743352
  C         7.7215747139       10.0420276609       16.3473179049
  C         7.6670113635        9.8370396898       13.5604108247
  H         2.7938374662        7.8677112403       12.6088922639
  H         4.5817388049        7.0879568177       14.9668407064
  H         2.8203344322        7.1648493697       14.9192164530
  H         2.7408748769        5.2104862672       13.3735803736
  H         3.6453428954        4.8204883386       14.8292614953
  H         5.8013821058        5.2803050543       13.5726873182
  H         4.8807093290        3.9978645852       12.8043689418
  H         5.6335206322        5.6445783239       11.0720852258
  H         3.8779724845        5.6356860091       11.2047699119
  H         4.6544258533        7.9529243963       11.1168541727
  H         5.8364995223        7.6698539014       12.3835271806
  H         2.4641956018       11.2529767992       14.0598316879
  H         1.7240014229        9.6516952310       13.9774607765
  H         1.8784342883       10.7267764336       16.3852176559
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  F        11.2165333545        9.0174882483       20.2228480194
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  C        12.7666820223        9.4032733279       16.9838655275
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  C        15.7651017771       12.0554663056       15.2253482129
  C        16.7020384846       13.0212267829       14.8372490026
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  C        16.5058624981       12.2878557329       12.5612495967
  C        15.5668397722       11.3294083948       12.9598243869
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  F        15.7543189530       12.8160304712       10.3459087408
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  F        18.1483129825       14.8385716357       15.4058587179
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  C        11.4649940251       10.4127960518       11.8806957279
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  C        11.0273346263        6.6992139600       12.2312792720
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  F        11.9229096315        5.6912371191       12.4653893588
  F        10.0062117387        6.4975060297       13.1314775164
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  F        10.6240637263       12.6599847753       11.7440176120
  F        11.7667617145       11.8873954206       10.0455456816
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  C        15.8574025241        8.5674839722       16.2867256192
  C        16.8096993001        7.5583587022       16.4641845498
  C        17.1151128046        6.6678786806       15.4315741476
  C        16.4825976626        6.8319893809       14.2070834050
  C        15.5605111123        7.8663408778       14.0132018550
  C        17.4842012833        7.2668350845       17.7705959298
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  F        16.7936781007        6.3144178146       18.4807414684
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  F        10.4812394652       13.7340729825       16.4319233508
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  H        17.8240552628        5.8625187029       15.5863031970
  H        15.1138388521        7.9831774559       13.0271102617
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  F         3.3594855685       17.0874510213       18.6314289257
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  C         2.9235949221       23.0645662884       17.4348887164
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  F         3.9023135597       24.0240016058       17.3052840999
  F         1.9925243378       23.2935503751       16.4317153876
  B         5.6123587255       19.6385091496       14.6710705195
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  C         7.2692135969       18.2807940617       16.2251017534
  C         8.2430579064       17.3088030008       16.4684550028
  C         8.6417690554       16.4174908828       15.4719554171
  C         8.0500203735       16.5427030578       14.2156498279
  C         7.0873293500       17.5291550703       13.9663491075
  C         8.4235126134       15.5966146341       13.1144030812
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  F         9.2158623704       14.5689282284       13.5620630354
  F         9.1081219192       16.2276579292       12.1007431286
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  F        10.0143372703       16.5640254113       17.8928081134
  F         7.9539319356       16.3793732743       18.6302781872
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  C         7.2107083035       21.7008146656       15.2298138698
  C         8.1643600274       22.6667590876       14.8891773304
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  C         7.0848240104       21.0137965460       12.9480386048
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  F         9.3804509547       23.0322250131       10.9268351432
  F         7.3248045820       22.5146929767       10.4081642178
  C         8.6820198976       23.5852913628       15.9563239351
  F         9.6017088570       24.4690444530       15.4764479518
  F         7.6876631719       24.3578164108       16.5045046561
  F         9.2705236113       22.8896680434       17.0027584837
  C         4.5428092867       19.2824964061       13.4800880366
  C         4.0530897635       17.9795534212       13.2695746525
  C         3.0838056610       17.6953977771       12.2962753647
  C         2.5601838805       18.7113823513       11.4958110062
  C         3.0186726690       20.0180005572       11.7023038782
  C         3.9799632502       20.2954426560       12.6776313567
  C         2.3991209609       21.1146545441       10.8862963129
  F         2.3719941839       20.7826489376        9.5416342040
  F         1.0899945101       21.3346327589       11.2600781237
  F         3.0364342753       22.3172614748       10.9979389396
  C         2.5089429407       16.3089402605       12.1877230308
  F         1.9323725576       16.0520118886       10.9844790206
  F         3.4284778352       15.3142253793       12.3965151237
  F         1.5224687228       16.1210705216       13.1305577020
  H         4.4389823485       17.9888750716       16.6731675682
  H         4.6001023199       22.1364731646       15.5564449700
  H         2.3107449623       20.9302893362       18.9903444253
  H         6.9866811631       18.9515982074       17.0349169503
  H         9.3755597876       15.6439731632       15.6747716427
  H         6.6651395916       17.6001431709       12.9649684392
  H         6.9085931178       21.6165554872       16.2729451624
  H         9.3190602720       23.5788584746       13.2955395271
  H         6.6818756395       20.3778543483       12.1614679382
  H         4.4310399026       17.1604934622       13.8798836099
  H         1.8084445261       18.4926339901       10.7413992481
  H         4.2993920744       21.3269792589       12.8141881308
  F        15.6186162824        1.2750734017       -0.2929073143
  C        15.6620878179        1.6683223573        1.0285832520
  F        16.9914285870        1.8962272642        1.3186747939
  F        15.0495328787        2.8842749411        1.1015194217
  C        15.0736273048        0.6118509427        1.9261080015
  C        14.2295418532        0.9245999281        2.9984539659
  C        13.7343361025       -0.0709929664        3.8695162592
  C        14.1762068917       -1.3829398965        3.6356117582
  C        15.0056837706       -1.7036185208        2.5568404519
  C        15.4559776868       -0.7138853729        1.6825881357
  C        15.4681383290       -3.1194406791        2.3840249188
  F        16.0486080876       -3.3176782425        1.1715568938
  F        14.4479666164       -4.0414577493        2.4966474437
  F        16.4092220706       -3.4512353340        3.3549321563
  B        12.7888828570        0.2694135585        5.1617874159
  C        11.7358094214        1.4800532791        4.8482494824
  C        11.1257237450        1.5919545480        3.5835604521
  C        10.1462130755        2.5530136542        3.3203547331
  C         9.7316955944        3.4530769815        4.3067383202
  C        10.3173676077        3.3511506448        5.5660656029
  C        11.2907254415        2.3776607687        5.8331010830
  C         9.9540852381        4.3106334971        6.6598388216
  F        11.0920640997        4.8779387190        7.1884463841
  F         9.1364385421        5.3315827840        6.2380315652
  F         9.3072827446        3.6816640864        7.6993537003
  C         9.6235691736        2.7187505075        1.9290163248
  F         9.4968358361        1.5334374800        1.2493232125
  F         8.4029220753        3.3407370315        1.9037483054
  F        10.4693581152        3.4751775294        1.1642159262
  C        11.7895199087       -0.9673224189        5.5534990258
  C        11.2513065067       -1.8447888218        4.5943403653
  C        10.2934061926       -2.8088293507        4.9276678087
  C         9.8227414711       -2.9367140240        6.2375124423
  C        10.3413242290       -2.0714978705        7.1995116493
  C        11.3012778337       -1.1096392547        6.8637515549
  C         9.9455296330       -2.1879815440        8.6399520881
  F         9.5857678695       -0.9740968237        9.1688307565
  F         8.9072952575       -3.0503921721        8.8703528898
  F        11.0138154282       -2.6144995102        9.3930676725
  C         9.7520117252       -3.6989147188        3.8498987235
  F         8.8177484065       -4.5677215326        4.3253050530
  F        10.7198091834       -4.4529365752        3.2283992738
  F         9.1413745534       -2.9678287445        2.8546741847
  C        13.8520720955        0.6109370312        6.3589182340
  C        14.3431535282        1.9096639726        6.5705919273
  C        15.3245269303        2.1857912817        7.5318131176
  C        15.8657934637        1.1724570085        8.3194181552
  C        15.4105273271       -0.1331737954        8.1051833299
  C        14.4298048848       -0.4063346450        7.1466069752
  C        16.0231868005       -1.2295125480        8.9239761697
  F        16.0414653550       -0.8760886334       10.2631747116
  F        17.3294738725       -1.4916721961        8.5810778858
  F        15.3722109873       -2.4176000946        8.8049833747
  C        15.8731527304        3.5761275538        7.6233885027
  F        16.4777633340        3.8582762534        8.8107475497
  F        14.9135657609        4.5291076100        7.4084776734
  F        16.8288942485        3.7878096242        6.6604967691
  H        13.9534173873        1.9653722179        3.1624559432
  H        13.8650561423       -2.1812703346        4.3083990968
  H        16.1001594118       -0.9648199702        0.8444262487
  H        11.4216512913        0.9143785319        2.7835636625
  H         8.9910987199        4.2174748173        4.0927149611
  H        11.7154325494        2.3313127544        6.8349523116
  H        11.5815471724       -1.7794192433        3.5583513832
  H         9.0876142521       -3.6898242892        6.5018560211
  H        11.6749662476       -0.4523485383        7.6477463364
  H        13.9586909437        2.7341046602        5.9719017517
  H        16.6218424981        1.3912776945        9.0695248587
  H        14.1093023235       -1.4375116642        7.0095337564
  H        10.8037867505       11.7715220965        4.7439754651
  H        11.6052398813       10.0641201578        3.1340371712
     646
 i =      114, E =         0.0048435880
 Rh         3.6427434368        0.2389767077        4.8199915040
  P         5.3881468618        0.6383761096        6.2861341973
  C         5.2296135880       -0.3027682594        7.8720481009
  C         4.8341268411       -1.7772673854        7.6649189107
  C         4.5352403425       -2.4369210884        9.0216331926
  C         5.7203938384       -2.3146251958        9.9901153612
  C         6.1869918527       -0.8592244985       10.1417239571
  C         6.4627805605       -0.1939627437        8.7826059010
  C         5.6702514917        2.4056988700        6.8051216202
  C         4.6393794729        2.8201398925        7.8792906882
  C         4.6236841250        4.3304026869        8.1685212147
  C         4.5409801383        5.1620829373        6.8856943400
  C         5.6975538817        4.8029882746        5.9504703557
  C         5.6275638868        3.3205460488        5.5622041776
  C         7.0005350425        0.0929541761        5.5198232447
  C         6.9726457592        0.2298638411        3.9886975860
  P         5.3096322695       -0.2369850388        3.2923082653
  C         5.4649765009       -2.0242018852        2.7887920182
  C         4.3748053862       -2.4023642759        1.7661258815
  C         4.3803128375       -3.9029917363        1.4551759060
  C         4.2435075419       -4.7467217758        2.7244801259
  C         5.3756712882       -4.4244892210        3.7045435659
  C         5.4098862977       -2.9247336971        4.0445010375
  C         5.1310891316        0.7049520122        1.7082588572
  C         4.8526841772        2.2053872658        1.9237806855
  C         4.4309274183        2.8416080000        0.5884169918
  C         5.4961599024        2.6388866396       -0.5008605193
  C         5.8979670461        1.1618124081       -0.6487267910
  C         6.2783007827        0.5217248049        0.6998510141
  C         1.8826501059        0.3163501283        3.4710270912
  C         1.9085741556       -0.9341937729        4.0947982709
  C         1.0748283313       -0.8056644191        5.3836358657
  C         1.9428578406        0.1253397558        6.2573904571
  C         1.9153361751        1.3754367188        5.6378284712
  C         1.0309929362        1.2277589202        4.3828985649
  C        -0.0091980379        0.1971925724        4.9019004963
  H         4.3826308359        0.1961665834        8.3717993045
  H         5.6521002629       -2.3168469521        7.1644055907
  H         3.9607772924       -1.8463240859        6.9988350371
  H         4.2687261669       -3.4934171733        8.8760085547
  H         3.6503271613       -1.9533874452        9.4606281064
  H         5.4435292668       -2.7246105519       10.9722948685
  H         6.5556596494       -2.9289098651        9.6273234161
  H         7.0957856906       -0.8087755111       10.7596192386
  H         5.4092049316       -0.2825157490       10.6665946624
  H         6.7598217172        0.8525177789        8.9307384750
  H         7.3123662933       -0.6913388110        8.2970214066
  H         6.6809464081        2.4588233125        7.2415503880
  H         4.8440146960        2.2800915400        8.8135593599
  H         3.6349611404        2.5072916192        7.5614867968
  H         5.5343060151        4.6114817136        8.7166569182
  H         3.7788088594        4.5541948449        8.8358076655
  H         4.5470958043        6.2326163850        7.1324282533
  H         3.5869462647        4.9735697097        6.3710261823
  H         6.6529041242        5.0117266664        6.4513818557
  H         5.6823948103        5.4184148705        5.0417223690
  H         6.4502356337        3.0674307283        4.8773817631
  H         4.6938060971        3.1317855091        5.0074348288
  H         7.8385531564        0.6555254994        5.9559910822
  H         7.1399538085       -0.9586018508        5.8082536902
  H         7.7655757339       -0.3678423028        3.5165176413
  H         7.1417262189        1.2753450045        3.6947121644
  H         6.4508090259       -2.1420822860        2.3102893118
  H         4.5075501576       -1.8342814055        0.8356287551
  H         3.3855475080       -2.1223767369        2.1519644058
  H         5.3182185474       -4.1628896306        0.9435893948
  H         3.5665122075       -4.1253050413        0.7534975079
  H         4.2404688924       -5.8145362704        2.4657939387
  H         3.2706935553       -4.5496216101        3.1991318981
  H         5.2592438114       -4.9952535108        4.6381397647
  H         6.3379663038       -4.7293958119        3.2681179519
  H         6.2711206775       -2.7151078582        4.6950402998
  H         4.5118722488       -2.6607450776        4.6262540294
  H         4.2176307661        0.2672347998        1.2717934128
  H         5.7600172337        2.7022318034        2.2988807568
  H         4.0745221437        2.3478432905        2.6891480305
  H         4.2272702319        3.9125809852        0.7271823493
  H         3.4823671838        2.3862099543        0.2663257706
  H         6.3863779631        3.2364245285       -0.2561106273
  H         5.1232325514        3.0236601719       -1.4615326215
  H         6.7400205487        1.0667053067       -1.3501011607
  H         5.0582173228        0.5969529277       -1.0842443031
  H         7.1827915012        1.0034244329        1.0922540496
  H         6.5243383727       -0.5381676939        0.5568262925
  H         2.1183457258        0.5344750452        2.4330868993
  H         2.1764193515       -1.8872544533        3.6487991434
  H         0.7574789668       -1.7439209100        5.8448128491
  H         2.2340146305       -0.0930313046        7.2806857814
  H         2.1908720483        2.3305072241        6.0754908883
  H         0.6706709208        2.1582626543        3.9368818071
  H        -0.6302318930        0.5839832914        5.7163095281
  H        -0.6389487637       -0.2105774963        4.1044049557
 Rh        14.7185106062       19.6363730009       14.9748399167
  P        12.9553854829       19.2063140420       13.5264496394
  C        13.1291544545       20.1891386855       11.9622931386
  C        13.5059138560       21.6617055429       12.2124253012
  C        13.8475562651       22.3576042145       10.8844250536
  C        12.6902880806       22.2557503892        9.8809713909
  C        12.2540880960       20.7980669044        9.6722547977
  C        11.9350221698       20.0893906422       11.0015263962
  C        12.6622819271       17.4549058846       12.9594100977
  C        13.6746327884       17.0369801588       11.8714225370
  C        13.6034111559       15.5348261725       11.5554927581
  C        13.7834544568       14.7009570722       12.8266729406
  C        12.6818329738       15.0364545945       13.8363009259
  C        12.6954471735       16.5302153997       14.1970603469
  C        11.3344641078       19.6977973052       14.3262078599
  C        11.4086813770       19.6708313310       15.8645034009
  P        13.0846135545       20.1688989469       16.5114830223
  C        12.9215333156       21.9678772073       16.9584307335
  C        13.9855285921       22.4210094658       17.9808442242
  C        13.9933542540       23.9471772863       18.1740034643
  C        14.0876975283       24.7072457704       16.8471130838
  C        12.9468655970       24.2986834453       15.9132069584
  C        12.9998899315       22.7888629002       15.6531903050
  C        13.3287958263       19.2278585099       18.0891511729
  C        13.5991057627       17.7363623796       17.8066177558
  C        14.0343353568       17.0211174440       19.0938226968
  C        12.9836694971       17.1772874557       20.2039296296
  C        12.6231162082       18.6530458795       20.4463606197
  C        12.2261048516       19.3861160180       19.1486870667
  C        16.4476570213       19.6278976277       16.3543761385
  C        16.4657954907       20.8215388962       15.6256597689
  C        17.3224290208       20.5592935363       14.3712607981
  C        16.4447874266       19.5802432565       13.5604769959
  C        16.4222672298       18.3880734059       14.2858222700
  C        17.2881452237       18.6184113784       15.5418996502
  C        18.3689912120       19.5741503665       14.9625884234
  H        13.9990504429       19.7082012568       11.4837495136
  H        12.6637769628       22.1834672680       12.6908937934
  H        14.3530012966       21.7212013451       12.9129150991
  H        14.1053522500       23.4099572740       11.0683160020
  H        14.7480046145       21.8890962892       10.4597722718
  H        12.9840920755       22.7033901283        8.9199836108
  H        11.8363648288       22.8442836486       10.2449312245
  H        11.3719198826       20.7510711752        9.0167764529
  H        13.0622291082       20.2503302435        9.1623204691
  H        11.6638309117       19.0433105152       10.8102679763
  H        11.0566633506       20.5571551608       11.4645871590
  H        11.6513001046       17.4255202217       12.5208389832
  H        13.4934744737       17.6129953415       10.9538325388
  H        14.6965173801       17.2852546310       12.1938051222
  H        12.6303220586       15.2967355788       11.1014198066
  H        14.3675793112       15.2842546346       10.8058485126
  H        13.7829413256       13.6287305517       12.5857397261
  H        14.7685635958       14.9095525855       13.2710596983
  H        11.7056284500       14.7560288852       13.4171345549
  H        12.8057386981       14.4563793577       14.7607817783
  H        11.8454845934       16.7632383688       14.8567079732
  H        13.6045440959       16.7518962803       14.7788658385
  H        10.5347231963       19.0338280749       13.9665148034
  H        11.0890950552       20.7068927487       13.9671080258
  H        10.6298696998       20.3049449387       16.3122097065
  H        11.2390992457       18.6502954938       16.2355622482
  H        11.9220486159       22.1046476719       17.4018958063
  H        13.8080571183       21.9363659257       18.9513219780
  H        14.9835409274       22.0951188614       17.6565669475
  H        13.0752899188       24.2521311359       18.6962702784
  H        14.8314344015       24.2197036942       18.8295036118
  H        14.0736621762       25.7889427099       17.0365173919
  H        15.0524802025       24.5031816148       16.3596083683
  H        13.0054159024       24.8300686248       14.9530081244
  H        11.9800625970       24.5660660562       16.3624774776
  H        12.1967729715       22.4893455154       14.9656788628
  H        13.9456026375       22.5433810294       15.1430207387
  H        14.2568166598       19.6640733774       18.4964853065
  H        12.6835605926       17.2635098084       17.4201637324
  H        14.3626424336       17.6315637704       17.0198203101
  H        14.2161863780       15.9573707065       18.8826247460
  H        14.9961896152       17.4387376165       19.4279187232
  H        12.0778333306       16.6185561292       19.9265281813
  H        13.3505184178       16.7235645839       21.1360568216
  H        11.7977902501       18.7243063617       21.1703696943
  H        13.4857855977       19.1676182042       20.8988161763
  H        11.2856591377       18.9679979617       18.7656347299
  H        12.0354794489       20.4456941042       19.3610591345
  H        16.1968689196       19.5097937695       17.4045340736
  H        16.2130547456       21.8151101504       15.9857279932
  H        17.6766785678       21.4443266870       13.8375682047
  H        16.1766653946       19.7160305716       12.5167567851
  H        16.1190140982       17.4071458030       13.9296551661
  H        17.6092681404       17.7206362632       16.0756017133
  H        18.9991221538       19.1031222813       14.2002835747
  H        18.9911140551       20.0333807810       15.7397561734
 Rh         5.9618949335       10.0617814840       14.9863025329
  P         4.1640289250        9.5946880248       13.6033282013
  C         3.7871876829        7.8453767184       13.0883135378
  C         3.7094189078        6.9159279708       14.3191094150
  C         3.6689062732        5.4313395273       13.9199824998
  C         4.8641078461        5.0718423203       13.0345854316
  C         4.8012896898        5.8910273392       11.7451038406
  C         4.8281720729        7.3965889053       12.0439211854
  C         2.5842720546       10.2074935017       14.3760572371
  C         2.6541386058       10.1124631952       15.9062497667
  P         4.3368073738       10.6092373659       16.5313130385
  C         4.1472417287       12.3839325339       17.0428912554
  C         4.0041806867       13.2721655124       15.7872276454
  C         4.0789305199       14.7715754095       16.1108739004
  C         5.3744673799       15.0867917326       16.8622946306
  C         5.4114316664       14.3003537451       18.1741242483
  C         5.3351316084       12.7886470403       17.9393888262
  C         4.5760063439        9.6696644355       18.1063110238
  C         4.9269154217        8.1934886147       17.8385981443
  C         5.2177442600        7.4693634244       19.1602740419
  C         4.0235344967        7.5734217743       20.1195878564
  C         3.3916208205        9.8057146326       19.0764741039
  C         3.6577346935        9.0416082340       20.3844205692
  C         4.3642664222       10.5484177695       12.0287307118
  C         4.7051198339       12.0276658037       12.2939648152
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  C        12.7664040722        9.4032002945       16.9836905106
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  C        16.7020110434       13.0213210031       14.8371904792
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  F        18.1483018327       14.8385445673       15.4058827693
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  F        11.9229925872        5.6911945314       12.4654055152
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  F        10.6242801348       12.6597910516       11.7436747724
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  C        16.4829336541        6.8316254466       14.2070447640
  C        15.5604338971        7.8661979636       14.0134585385
  C        17.4841828492        7.2668245536       17.7707105212
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  F        16.7935657604        6.3143197142       18.4807085991
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  H        15.1132717898        7.9829935606       13.0267714178
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  C         4.6924490862       20.0189437323       15.9741613630
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  C         2.9236152062       23.0644259557       17.4347163496
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  F         3.9021747575       24.0240775887       17.3054764382
  F         1.9925731862       23.2936330815       16.4318648965
  B         5.6125083669       19.6384340580       14.6708426553
  C         6.6518201411       18.4136527286       14.9690836828
  C         7.2690746974       18.2805698492       16.2251899673
  C         8.2431035502       17.3087285559       16.4684340466
  C         8.6419856321       16.4175902752       15.4718868736
  C         8.0500298868       16.5426884352       14.2157212010
  C         7.0871282010       17.5289428504       13.9664858732
  C         8.4235052504       15.5965918420       13.1144100975
  F         7.3129897950       15.0305558178       12.5390621950
  F         9.2159270558       14.5689131698       13.5620623368
  F         9.1080721989       16.2276289841       12.1007154898
  C         8.7834607222       17.1551919983       17.8520150875
  F         8.9101804052       18.3673829081       18.4839682246
  F        10.0143183112       16.5640386277       17.8928109644
  F         7.9539660382       16.3793442433       18.6302826227
  C         6.6318054233       20.8523506941       14.2671940808
  C         7.2109122290       21.7005404000       15.2298445704
  C         8.1643629860       22.6666951787       14.8892051278
  C         8.5934107216       22.8190653862       13.5672742967
  C         8.0400228324       21.9750337569       12.6042300963
  C         7.0848459981       21.0136190890       12.9480554447
  C         8.4043207218       22.1125761299       11.1580488756
  F         8.8235715140       20.9057318996       10.6311614643
  F         9.3804460971       23.0322170204       10.9267282456
  F         7.3248464944       22.5146826318       10.4081298033
  C         8.6820217676       23.5852807266       15.9563308847
  F         9.6017127665       24.4690319550       15.4764268167
  F         7.6876661056       24.3578142002       16.5044793031
  F         9.2705471072       22.8896550203       17.0027613650
  C         4.5428065835       19.2825157107       13.4802224068
  C         4.0530335301       17.9795465760       13.2695491966
  C         3.0837044604       17.6954192905       12.2962078550
  C         2.5600498375       18.7113859043       11.4958413989
  C         3.0186006011       20.0179274865       11.7023389073
  C         3.9799137989       20.2954068516       12.6776994422
  C         2.3990691964       21.1146513899       10.8862498736
  F         2.3720754065       20.7827279812        9.5417515892
  F         1.0899869271       21.3346560364       11.2600087249
  F         3.0364335462       22.3172789974       10.9978144477
  C         2.5089500113       16.3089586322       12.1877573198
  F         1.9324022999       16.0520172200       10.9844905974
  F         3.4284692902       15.3142229608       12.3964636706
  F         1.5224672367       16.1210565631       13.1305209626
  H         4.4387706476       17.9894779116       16.6732003729
  H         4.6006923737       22.1369041247       15.5565727721
  H         2.3101232651       20.9303051442       18.9900187677
  H         6.9863647736       18.9512834363       17.0350713779
  H         9.3759906575       15.6443524819       15.6745985504
  H         6.6647268438       17.5997433934       12.9650991488
  H         6.9090094055       21.6160988517       16.2730768852
  H         9.3186567330       23.5792061654       13.2954541704
  H         6.6819946171       20.3777238399       12.1615459374
  H         4.4310384323       17.1604224697       13.8798978564
  H         1.8083112106       18.4927044763       10.7416393427
  H         4.2993369959       21.3270153558       12.8143158194
  F        15.6182630681        1.2754576855       -0.2929683797
  C        15.6621795229        1.6683065530        1.0287083884
  F        16.9915380346        1.8962080670        1.3186535404
  F        15.0494714048        2.8841773820        1.1010904374
  C        15.0736242350        0.6117376773        1.9261154500
  C        14.2292580296        0.9245204843        2.9981381253
  C        13.7340759726       -0.0711229953        3.8690945953
  C        14.1757843863       -1.3830723383        3.6352361018
  C        15.0056581407       -1.7035367446        2.5568020188
  C        15.4563855755       -0.7138426565        1.6828023121
  C        15.4680578845       -3.1193564410        2.3839086892
  F        16.0486282908       -3.3177412386        1.1715916086
  F        14.4479769008       -4.0414961158        2.4966618612
  F        16.4092939996       -3.4513434948        3.3549650590
  B        12.7886736162        0.2694272181        5.1615050202
  C        11.7358820203        1.4802380572        4.8480675004
  C        11.1258096263        1.5921997417        3.5833454012
  C        10.1462583191        2.5532003734        3.3201571501
  C         9.7318246257        3.4532306581        4.3067431944
  C        10.3174878494        3.3512613403        5.5661228495
  C        11.2908334465        2.3777552568        5.8329704689
  C         9.9544767803        4.3107103334        6.6598073673
  F        11.0916841691        4.8776115891        7.1882704423
  F         9.1363810918        5.3316171135        6.2381075746
  F         9.3073779853        3.6817469198        7.6994823830
  C         9.6235052367        2.7188511662        1.9289154089
  F         9.4969735924        1.5334050320        1.2493642765
  F         8.4029546159        3.3408657875        1.9038248821
  F        10.4693551887        3.4752219683        1.1642163181
  C        11.7891536314       -0.9670509344        5.5533275213
  C        11.2507320713       -1.8443893877        4.5941330313
  C        10.2931956205       -2.8087375107        4.9276099884
  C         9.8228081920       -2.9368087215        6.2375218464
  C        10.3413017836       -2.0714579209        7.1994359984
  C        11.3010909251       -1.1094762388        6.8636256336
  C         9.9455575510       -2.1879642882        8.6399254536
  F         9.5857037219       -0.9741374040        9.1688455114
  F         8.9073040425       -3.0503600735        8.8703930020
  F        11.0138000238       -2.6145107069        9.3930688323
  C         9.7519521326       -3.6988995562        3.8498846580
  F         8.8177326853       -4.5677203520        4.3253172287
  F        10.7198056368       -4.4529212970        3.2284121011
  F         9.1413517856       -2.9678291653        2.8546444739
  C        13.8521640344        0.6109972250        6.3587194845
  C        14.3430814428        1.9096019647        6.5701218664
  C        15.3243885804        2.1854322643        7.5313515301
  C        15.8660734487        1.1722436226        8.3189002705
  C        15.4105799032       -0.1331616620        8.1048936849
  C        14.4296541700       -0.4062982012        7.1464605054
  C        16.0231346958       -1.2294394154        8.9238440770
  F        16.0414330446       -0.8761138421       10.2630850283
  F        17.3294854722       -1.4917222407        8.5810903757
  F        15.3722408421       -2.4175956059        8.8050085589
  C        15.8731784897        3.5764522032        7.6228195778
  F        16.4781019836        3.8581587466        8.8111652360
  F        14.9131533416        4.5290333321        7.4085040583
  F        16.8290266815        3.7875715894        6.6604094783
  H        13.9528618511        1.9652572257        3.1619555306
  H        13.8642440407       -2.1814363658        4.3077050186
  H        16.1010964621       -0.9646732862        0.8450089057
  H        11.4217363971        0.9147444226        2.7832693770
  H         8.9911783948        4.2177826468        4.0926786282
  H        11.7155893808        2.3313093753        6.8347055785
  H        11.5805498608       -1.7786767201        3.5579899879
  H         9.0879084037       -3.6901129898        6.5019277755
  H        11.6748033131       -0.4521854009        7.6475442266
  H        13.9586348975        2.7339031348        5.9714630085
  H        16.6223965613        1.3911996638        9.0684820864
  H        14.1088491429       -1.4376176842        7.0096107078
  H        10.8035513312       11.7717701901        4.7422878893
  H        11.6047119888       10.0633231028        3.1335824147
     646
 i =      115, E =         0.0003957302
 Rh         3.6428972173        0.2390380298        4.8200646928
  P         5.3882417469        0.6383804602        6.2862319329
  C         5.2296186874       -0.3029972079        7.8720770601
  C         4.8343466046       -1.7775125935        7.6647328231
  C         4.5352313027       -2.4372187821        9.0214141851
  C         5.7203393483       -2.3150774831        9.9899330765
  C         6.1869346073       -0.8596937360       10.1417607056
  C         6.4626791159       -0.1941613358        8.7827170277
  C         5.6702148163        2.4057143883        6.8052904203
  C         4.6391742400        2.8202762454        7.8792239794
  C         4.6240905516        4.3304986303        8.1686211768
  C         4.5411207600        5.1621179418        6.8858385949
  C         5.6973469573        4.8030479356        5.9502022203
  C         5.6276501978        3.3204775865        5.5623221172
  C         7.0006316415        0.0930767322        5.5198999947
  C         6.9727505103        0.2299496517        3.9887969501
  P         5.3097539735       -0.2370040772        3.2924288264
  C         5.4653093345       -2.0241756507        2.7889540000
  C         4.3754267071       -2.4024074002        1.7660943318
  C         4.3804209803       -3.9030015589        1.4554375682
  C         4.2436987871       -4.7466151653        2.7248419235
  C         5.3760211140       -4.4243880396        3.7046729359
  C         5.4101887498       -2.9246838421        4.0446573456
  C         5.1307825328        0.7048350505        1.7083222502
  C         4.8522337231        2.2051915162        1.9238355698
  C         4.4309101916        2.8416551846        0.5884926585
  C         5.4963897669        2.6390356277       -0.5005134511
  C         5.8977529332        1.1618873381       -0.6486337264
  C         6.2777725009        0.5214701888        0.6997823770
  C         1.8828293923        0.3163703076        3.4710180800
  C         1.9086802099       -0.9340592433        4.0949799579
  C         1.0750103999       -0.8052894720        5.3838637701
  C         1.9430152471        0.1256941622        6.2573578251
  C         1.9156164955        1.3758172120        5.6377160425
  C         1.0311914261        1.2280408614        4.3828377873
  C        -0.0090053314        0.1975277587        4.9020504019
  H         4.3825214653        0.1957659294        8.3717332030
  H         5.6525731054       -2.3170262475        7.1644992965
  H         3.9612239157       -1.8467333805        6.9984146089
  H         4.2685668308       -3.4936625462        8.8757376118
  H         3.6503481677       -1.9535559667        9.4603395633
  H         5.4434794457       -2.7252001810       10.9720563152
  H         6.5556047959       -2.9293174267        9.6270582465
  H         7.0957124510       -0.8093089590       10.7596290555
  H         5.4091109493       -0.2830966143       10.6667430580
  H         6.7595387770        0.8523478332        8.9310814687
  H         7.3123669575       -0.6913110926        8.2971469538
  H         6.6808133840        2.4588850156        7.2419372464
  H         4.8432486973        2.2799481567        8.8134596088
  H         3.6346999698        2.5079302446        7.5610296500
  H         5.5350107756        4.6111915319        8.7164400068
  H         3.7795274493        4.5545477558        8.8362402740
  H         4.5475724310        6.2328152867        7.1326412521
  H         3.5869049077        4.9739299376        6.3715468997
  H         6.6529008751        5.0122559185        6.4505334283
  H         5.6815147306        5.4181480907        5.0412325245
  H         6.4505795483        3.0674182663        4.8776900012
  H         4.6940866085        3.1314396190        5.0073108901
  H         7.8386479333        0.6555810740        5.9561031634
  H         7.1400440316       -0.9585528515        5.8083441393
  H         7.7656845696       -0.3678925737        3.5166490146
  H         7.1419702237        1.2753789400        3.6947489775
  H         6.4513335204       -2.1419764725        2.3106664050
  H         4.5087586821       -1.8345659856        0.8353769218
  H         3.3861008736       -2.1218071037        2.1514060747
  H         5.3181951466       -4.1633064966        0.9436737703
  H         3.5664312481       -4.1252437393        0.7539036367
  H         4.2404479362       -5.8144316070        2.4662564235
  H         3.2709803992       -4.5493095544        3.1996577984
  H         5.2598920749       -4.9952481072        4.6382677071
  H         6.3382857278       -4.7291881862        3.2680015882
  H         6.2712991348       -2.7149808333        4.6953043103
  H         4.5120474154       -2.6607493004        4.6263367344
  H         4.2172494793        0.2669642446        1.2721141964
  H         5.7593733005        2.7021081676        2.2994014823
  H         4.0737452514        2.3474913856        2.6889993110
  H         4.2272590398        3.9126469949        0.7273974867
  H         3.4823786999        2.3864071536        0.2660050090
  H         6.3867617580        3.2362128651       -0.2552176530
  H         5.1239621983        3.0242619777       -1.4611607532
  H         6.7398388709        1.0666240880       -1.3500124943
  H         5.0578294345        0.5974142633       -1.0843692439
  H         7.1825887088        1.0026153958        1.0922438413
  H         6.5233645934       -0.5386131869        0.5565526371
  H         2.1184739979        0.5343891359        2.4331153117
  H         2.1764935861       -1.8872025515        3.6490494370
  H         0.7575948878       -1.7435198502        5.8451708296
  H         2.2342968271       -0.0925157947        7.2808421953
  H         2.1912609034        2.3308682731        6.0751851196
  H         0.6709705268        2.1584024486        3.9367387361
  H        -0.6299684759        0.5844565700        5.7163766025
  H        -0.6388412162       -0.2103165111        4.1045651206
 Rh        14.7185300054       19.6364000544       14.9748479909
  P        12.9555232902       19.2063974745       13.5264126514
  C        13.1293393175       20.1892194417       11.9622687966
  C        13.5060039329       21.6617401300       12.2124071920
  C        13.8475092620       22.3577432565       10.8844632650
  C        12.6902325698       22.2559013415        9.8811030168
  C        12.2539153353       20.7982837608        9.6723642201
  C        11.9350625152       20.0894471464       11.0016283003
  C        12.6625406988       17.4548715117       12.9596950839
  C        13.6749857030       17.0370015869       11.8717305149
  C        13.6036983904       15.5348658462       11.5556304864
  C        13.7833243196       14.7007362898       12.8266653696
  C        12.6818273234       15.0364204848       13.8363448168
  C        12.6958624414       16.5301588880       14.1972942960
  C        11.3346578747       19.6982262251       14.3259351936
  C        11.4086187641       19.6706282558       15.8641733077
  P        13.0844295341       20.1688246978       16.5113209283
  C        12.9211647690       21.9677356730       16.9583972090
  C        13.9854596312       22.4205723710       17.9805777617
  C        13.9931871269       23.9466354270       18.1742300416
  C        14.0878417734       24.7069129835       16.8475145850
  C        12.9469846381       24.2988298017       15.9134363979
  C        12.9990295510       22.7890219831       15.6533167106
  C        13.3288078529       19.2278848070       18.0890024130
  C        13.5993297253       17.7364208601       17.8066138816
  C        14.0342012340       17.0211859447       19.0939780250
  C        12.9832868011       17.1774802372       20.2037872396
  C        12.6231153468       18.6532895852       20.4462244879
  C        12.2261326444       19.3862501316       19.1485239711
  C        16.4478220815       19.6277408962       16.3543333554
  C        16.4659170645       20.8214252217       15.6257048359
  C        17.3223526083       20.5593349124       14.3712037920
  C        16.4446168394       19.5803625363       13.5603743832
  C        16.4221598171       18.3881282907       14.2855701175
  C        17.2882653618       18.6183219899       15.5416287687
  C        18.3689532924       19.5741244452       14.9622359798
  H        13.9992086823       19.7083125658       11.4835941530
  H        12.6638280975       22.1834525971       12.6909697290
  H        14.3531177111       21.7213235378       12.9129245378
  H        14.1052809741       23.4101249133       11.0684057357
  H        14.7480183329       21.8893424946       10.4597347666
  H        12.9839902170       22.7035354946        8.9200537570
  H        11.8363376875       22.8445263387       10.2450813178
  H        11.3715469217       20.7513869477        9.0170815658
  H        13.0618725924       20.2505213894        9.1621985486
  H        11.6638486785       19.0434432355       10.8103638467
  H        11.0567858616       20.5572316733       11.4648950022
  H        11.6515621194       17.4253197313       12.5211343613
  H        13.4940048402       17.6131059342       10.9542348672
  H        14.6968305782       17.2851554330       12.1943280158
  H        12.6306869506       15.2969737437       11.1012579603
  H        14.3680246545       15.2843508761       10.8061260130
  H        13.7823879695       13.6285393143       12.5854961150
  H        14.7685167169       14.9088001925       13.2711543120
  H        11.7055140243       14.7563959797       13.4171266216
  H        12.8055168854       14.4561642742       14.7607149455
  H        11.8461545648       16.7632545799       14.8572220783
  H        13.6051894359       16.7515891302       14.7788743271
  H        10.5345855530       19.0349859342       13.9657042294
  H        11.0900283877       20.7077278783       13.9672146975
  H        10.6296375175       20.3044688468       16.3120610421
  H        11.2391355588       18.6499200291       16.2348035406
  H        11.9217921767       22.1043232095       17.4022805968
  H        13.8085129876       21.9354855315       18.9508930657
  H        14.9833928242       22.0949744059       17.6556866268
  H        13.0749343743       24.2513911496       18.6963445826
  H        14.8310717070       24.2190149256       18.8300460754
  H        14.0741846578       25.7885578904       17.0370230744
  H        15.0526543357       24.5025347628       16.3600890083
  H        13.0060130731       24.8301780344       14.9532238074
  H        11.9802324797       24.5668880742       16.3625394892
  H        12.1952161251       22.4900744847       14.9663159848
  H        13.9442359975       22.5430750363       15.1424025437
  H        14.2567806675       19.6642463645       18.4962320125
  H        12.6839987990       17.2634225094       17.4198090949
  H        14.3631853835       17.6316987350       17.0200891403
  H        14.2160627864       15.9574230702       18.8828263435
  H        14.9959752636       17.4387666792       19.4283237003
  H        12.0773179288       16.6190532610       19.9260500224
  H        13.3497175952       16.7234855767       21.1359793079
  H        11.7979092693       18.7248561549       21.1703590823
  H        13.4859976324       19.1676929906       20.8984991690
  H        11.2856481503       18.9680945581       18.7655091109
  H        12.0355095563       20.4458628752       19.3607556560
  H        16.1971390567       19.5094739495       17.4044497179
  H        16.2132062957       21.8149844858       15.9859443984
  H        17.6765250551       21.4444447972       13.8375307246
  H        16.1763750791       19.7162769988       12.5167413300
  H        16.1188802294       17.4072511599       13.9294156204
  H        17.6094183033       17.7204860631       16.0751530461
  H        18.9989893907       19.1031519940       14.1997599019
  H        18.9912678988       20.0332538156       15.7393586904
 Rh         5.9616428720       10.0617186037       14.9863337626
  P         4.1639483341        9.5948903651       13.6030669114
  C         3.7876104814        7.8454641665       13.0881904797
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  F        11.2165645705        9.0174605913       20.2227857507
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  C        12.7662880770        9.4031833906       16.9835223872
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  C        16.7019041646       13.0213033709       14.8372064343
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  C        15.5670485963       11.3292166564       12.9598160809
  C        16.8419453206       12.3976285905       11.0969938605
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  F        15.7543692462       12.8160164473       10.3459716067
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  F        18.1483338317       14.8385906879       15.4058153738
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  F        11.9228319507        5.6912402144       12.4653364418
  F        10.0062294707        6.4974671791       13.1314065931
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  F        10.6239266104       12.6602347163       11.7441925485
  F        11.7670929399       11.8874824241       10.0450040352
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  C        15.8572725622        8.5673622680       16.2867079652
  C        16.8096610126        7.5585288825       16.4642366087
  C        17.1152770433        6.6681566055       15.4314498695
  C        16.4823830117        6.8321654495       14.2069985923
  C        15.5600839308        7.8662735191       14.0131778817
  C        17.4842011592        7.2668558154       17.7705055567
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  F        16.7937367702        6.3144999493       18.4807441720
  F        18.7592277753        6.7893070508       17.5408813086
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  F        10.4812475945       13.7340240747       16.4319290797
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  F        17.3765453327        6.5266382315       12.0284521153
  F        15.6569660157        5.2690345932       12.6115008935
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  H        10.7426286806       11.2944792297       18.9961997318
  H        13.0875565456       12.4721846499       15.5897417570
  H        13.0769961561        8.3668530720       16.8661007576
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  H        17.7985205919       13.9125811402       13.1930878601
  H        15.1366731855       10.6786308197       12.1999970495
  H        12.7468506571       11.7080837758       13.0162654210
  H        10.2749644380        8.8998728072       10.8902348515
  H        12.9782544935        7.5076594667       13.9273658639
  H        15.6302505860        9.2313648769       17.1203479808
  H        17.8246041583        5.8629245189       15.5860226749
  H        15.1133206789        7.9827662993       13.0273713681
  F         2.7319721498       18.6335024945       20.1002271070
  C         2.7320011277       18.2908908776       18.7686190736
  F         1.4081172801       18.0793040865       18.4734901960
  F         3.3595888416       17.0876171304       18.6312737239
  C         3.3415752443       19.3557769753       17.9115789168
  C         4.1830884741       19.0333380330       16.8415706244
  C         4.6930839353       20.0196251979       15.9732116710
  C         4.2748954730       21.3383319250       16.2223655534
  C         3.4395094754       21.6640246136       17.2990058213
  C         2.9687707313       20.6789056902       18.1629588555
  C         2.9236176108       23.0646392909       17.4348698054
  F         2.2997711103       23.2920280258       18.6243437172
  F         3.9023322088       24.0239315816       17.3052452396
  F         1.9924979175       23.2935028751       16.4317119182
  B         5.6122649730       19.6383685917       14.6712900518
  C         6.6517736897       18.4135105075       14.9691124482
  C         7.2689311629       18.2804636223       16.2252397204
  C         8.2430698563       17.3087662125       16.4684950126
  C         8.6420529760       16.4177048433       15.4718278563
  C         8.0500084579       16.5426228101       14.2156623731
  C         7.0869881138       17.5287817906       13.9665183465
  C         8.4235500887       15.5966042063       13.1144523383
  F         7.3129153205       15.0304300587       12.5392026070
  F         9.2158245847       14.5689394360       13.5620564537
  F         9.1081518809       16.2276837057       12.1007393013
  C         8.7835231518       17.1551442057       17.8520770254
  F         8.9100696483       18.3673678109       18.4839385052
  F        10.0143135572       16.5640285807       17.8927957853
  F         7.9539382365       16.3793975747       18.6302587415
  C         6.6318075687       20.8522085103       14.2673549425
  C         7.2110280423       21.7003929680       15.2299462579
  C         8.1643442813       22.6666442933       14.8892341933
  C         8.5932754039       22.8191100747       13.5672772879
  C         8.0400572555       21.9750840578       12.6041348760
  C         7.0849471808       21.0136175753       12.9480750282
  C         8.4042764492       22.1125165684       11.1580632832
  F         8.8235522200       20.9057413539       10.6312155204
  F         9.3804320300       23.0322280687       10.9268691031
  F         7.3247844962       22.5146934759       10.4081650118
  C         8.6820415674       23.5852698360       15.9563368683
  F         9.6016683278       24.4689990612       15.4764697416
  F         7.6876583289       24.3578077596       16.5045100423
  F         9.2705103764       22.8896648993       17.0027651349
  C         4.5426851459       19.2825005618       13.4801277764
  C         4.0529999475       17.9795234007       13.2695690362
  C         3.0837699611       17.6953694724       12.2963529500
  C         2.5600402402       18.7113597176       11.4959449875
  C         3.0186132358       20.0180210184       11.7024235921
  C         3.9799261464       20.2954414317       12.6778063942
  C         2.3990891930       21.1148696641       10.8863511100
  F         2.3719609111       20.7826005818        9.5416530286
  F         1.0900140667       21.3346078815       11.2601067615
  F         3.0363347527       22.3170840242       10.9979783008
  C         2.5089558132       16.3090691056       12.1876711894
  F         1.9323352624       16.0519742651       10.9844539310
  F         3.4285512037       15.3141181622       12.3965548818
  F         1.5223564375       16.1210000885       13.1306713033
  H         4.4388909506       17.9886765032       16.6730809062
  H         4.6008415934       22.1365712196       15.5570755898
  H         2.3099141699       20.9301038993       18.9896493444
  H         6.9861974827       18.9510587746       17.0351485297
  H         9.3763221252       15.6444876337       15.6745211470
  H         6.6645083193       17.5994974426       12.9652536537
  H         6.9092621964       21.6158153615       16.2730803427
  H         9.3183729827       23.5793728928       13.2954108402
  H         6.6820000437       20.3775576455       12.1615081824
  H         4.4309903414       17.1604197144       13.8798584730
  H         1.8080963181       18.4927052758       10.7416568265
  H         4.2992475066       21.3269224844       12.8143650621
  F        15.6187504355        1.2749091043       -0.2928816630
  C        15.6621018076        1.6683439798        1.0285147994
  F        16.9914253912        1.8962036962        1.3186605725
  F        15.0495083358        2.8843406232        1.1016887845
  C        15.0737623630        0.6118640409        1.9260158014
  C        14.2290740919        0.9244649715        2.9979605711
  C        13.7337347637       -0.0710996837        3.8690518752
  C        14.1755513034       -1.3831272608        3.6349908971
  C        15.0057164021       -1.7037122241        2.5567129444
  C        15.4566212760       -0.7138003180        1.6829123158
  C        15.4681389021       -3.1194657477        2.3840150519
  F        16.0486058029       -3.3176723884        1.1715417521
  F        14.4479758588       -4.0414169480        2.4966229886
  F        16.4092042678       -3.4512008229        3.3548819173
  B        12.7887365192        0.2694719902        5.1613885387
  C        11.7358183830        1.4803919667        4.8478403530
  C        11.1258977239        1.5923262527        3.5832686401
  C        10.1463100232        2.5533834031        3.3204190495
  C         9.7317590015        3.4534476125        4.3066890959
  C        10.3175170472        3.3512146173        5.5658107301
  C        11.2908786410        2.3778107548        5.8327941328
  C         9.9536572102        4.3104002172        6.6596477556
  F        11.0926102341        4.8783934800        7.1888945302
  F         9.1364640228        5.3316147204        6.2380497854
  F         9.3073836136        3.6816801115        7.6993023581
  C         9.6234655211        2.7188772569        1.9287433991
  F         9.4968218313        1.5335682847        1.2493997984
  F         8.4029699321        3.3407020025        1.9037513397
  F        10.4693371054        3.4752574554        1.1641713587
  C        11.7889506903       -0.9668990949        5.5531593568
  C        11.2503927026       -1.8441668994        4.5939773980
  C        10.2931006542       -2.8086624172        4.9275502882
  C         9.8228665907       -2.9368570997        6.2375142678
  C        10.3412670988       -2.0714460124        7.1994696797
  C        11.3009606845       -1.1093986674        6.8635672133
  C         9.9455681165       -2.1879405093        8.6398917955
  F         9.5857841382       -0.9740896122        9.1688316172
  F         8.9072922756       -3.0504203498        8.8703527965
  F        11.0138387251       -2.6145004919        9.3930650469
  C         9.7519632567       -3.6988166462        3.8498764277
  F         8.8176687255       -4.5677972150        4.3253375935
  F        10.7198097061       -4.4529410630        3.2284055828
  F         9.1413400366       -2.9678340673        2.8546207323
  C        13.8518593358        0.6106274966        6.3583143314
  C        14.3430519349        1.9095511359        6.5699008491
  C        15.3247211782        2.1861024964        7.5311972879
  C        15.8660867728        1.1722267914        8.3184212682
  C        15.4106004451       -0.1334919259        8.1047817362
  C        14.4295760856       -0.4063887305        7.1464013261
  C        16.0231806660       -1.2293903893        8.9237749041
  F        16.0414320873       -0.8760577917       10.2630649943
  F        17.3294652232       -1.4916568277        8.5810363934
  F        15.3721620928       -2.4176344489        8.8049326836
  C        15.8736447895        3.5762130983        7.6242553660
  F        16.4767885081        3.8578118322        8.8094748914
  F        14.9136306406        4.5290530529        7.4083895881
  F        16.8289711915        3.7879589591        6.6602518327
  H        13.9525316318        1.9651923810        3.1616549771
  H        13.8637466885       -2.1815671901        4.3073159082
  H        16.1016602489       -0.9645883148        0.8453481662
  H        11.4218009624        0.9149444806        2.7830903535
  H         8.9913763588        4.2178028652        4.0927180159
  H        11.7157348319        2.3312947387        6.8347026375
  H        11.5799468432       -1.7782343189        3.5578258716
  H         9.0880842626       -3.6902965438        6.5019823943
  H        11.6747183610       -0.4520635405        7.6474533973
  H        13.9585860971        2.7338795776        5.9711567333
  H        16.6228509524        1.3912093232        9.0679996431
  H        14.1086344848       -1.4374858995        7.0096679463
  H        10.8034338684       11.7719737579        4.7412642945
  H        11.6043215026       10.0628261338        3.1333392002
     646
 i =      116, E =         0.0046447414
 Rh         3.6431516242        0.2391452856        4.8201698833
  P         5.3883824906        0.6383923511        6.2863919563
  C         5.2296445823       -0.3033635776        7.8720843904
  C         4.8347313503       -1.7779271036        7.6644426727
  C         4.5352070076       -2.4376879451        9.0210300918
  C         5.7202564123       -2.3158135781        9.9896332236
  C         6.1868081930       -0.8604486207       10.1417911897
  C         6.4625028684       -0.1944718617        8.7829296885
  C         5.6701549446        2.4057471149        6.8055633100
  C         4.6388282500        2.8204854729        7.8791271103
  C         4.6247516427        4.3306310076        8.1687692346
  C         4.5413984098        5.1623496500        6.8861089381
  C         5.6970135009        4.8031152473        5.9497619812
  C         5.6278337610        3.3203606970        5.5624586811
  C         7.0007895834        0.0932254942        5.5200403483
  C         6.9729622802        0.2300638031        3.9889172285
  P         5.3099371502       -0.2370159426        3.2926081887
  C         5.4659314235       -2.0241440383        2.7892008779
  C         4.3764005398       -2.4023761879        1.7659482178
  C         4.3806400330       -3.9030794589        1.4558225421
  C         4.2439746807       -4.7464111766        2.7254283750
  C         5.3766363828       -4.4242442044        3.7048733146
  C         5.4106272381       -2.9245823289        4.0449233182
  C         5.1302640106        0.7046269996        1.7084189489
  C         4.8514977919        2.2049062620        1.9239793590
  C         4.4308475055        2.8417546258        0.5885936221
  C         5.4968231139        2.6392966344       -0.4999202261
  C         5.8974056574        1.1620147281       -0.6485432492
  C         6.2769907209        0.5209782592        0.6996763901
  C         1.8830828241        0.3164370465        3.4710641089
  C         1.9088718982       -0.9338602639        4.0952299029
  C         1.0752530169       -0.8047335842        5.3842065187
  C         1.9433597999        0.1263331483        6.2574598091
  C         1.9160380885        1.3763610530        5.6374726562
  C         1.0315820101        1.2284087091        4.3827560502
  C        -0.0087008417        0.1980761324        4.9021960808
  H         4.3823308034        0.1951296829        8.3716278105
  H         5.6533307564       -2.3173039357        7.1646429067
  H         3.9619326909       -1.8473875156        6.9977075660
  H         4.2683077119       -3.4940646558        8.8752780285
  H         3.6503789270       -1.9538317991        9.4598562519
  H         5.4433911546       -2.7261610477       10.9716560523
  H         6.5555097606       -2.9299809630        9.6266172792
  H         7.0956069380       -0.8101800025       10.7596519179
  H         5.4089630300       -0.2840461558       10.6669726618
  H         6.7590744423        0.8520685150        8.9316342169
  H         7.3123827884       -0.6912703707        8.2973360289
  H         6.6805998643        2.4589879604        7.2425587383
  H         4.8420054671        2.2797188079        8.8132820672
  H         3.6342929108        2.5089807216        7.5602785719
  H         5.5361718981        4.6107272949        8.7160791359
  H         3.7807126524        4.5551270140        8.8369311952
  H         4.5483371037        6.2330363298        7.1329445316
  H         3.5868083896        4.9745130683        6.3723680578
  H         6.6528958232        5.0131204479        6.4491457802
  H         5.6800828554        5.4177200015        5.0404271373
  H         6.4511131771        3.0674034241        4.8782021984
  H         4.6945450629        3.1308812947        5.0071064927
  H         7.8388166521        0.6556878166        5.9562808217
  H         7.1401910174       -0.9584289437        5.8084724990
  H         7.7658408393       -0.3679463400        3.5168718214
  H         7.1423642186        1.2754494237        3.6947981643
  H         6.4521519962       -2.1417956122        2.3112857698
  H         4.5107189125       -1.8350699864        0.8350318050
  H         3.3870238836       -2.1208893549        2.1504906102
  H         5.3181261618       -4.1639705101        0.9438242530
  H         3.5663183231       -4.1251369112        0.7545707361
  H         4.2404147765       -5.8142707659        2.4670028686
  H         3.2714629209       -4.5488001782        3.2005011937
  H         5.2609476921       -4.9952303277        4.6384648873
  H         6.3387889102       -4.7288433326        3.2678137462
  H         6.2716087607       -2.7147692971        4.6957319840
  H         4.5123614850       -2.6607585523        4.6264484079
  H         4.2166510006        0.2665340115        1.2726323582
  H         5.7583190522        2.7018998158        2.3002330925
  H         4.0725167949        2.3469154479        2.6887190443
  H         4.2272547288        3.9127407443        0.7277428868
  H         3.4824219413        2.3867363761        0.2654797516
  H         6.3873754945        3.2358580307       -0.2537724858
  H         5.1251518462        3.0252574032       -1.4605854492
  H         6.7395358471        1.0664977766       -1.3498616247
  H         5.0572098612        0.5981757266       -1.0845741862
  H         7.1822428825        1.0012978158        1.0922099795
  H         6.5217706291       -0.5392677409        0.5561048095
  H         2.1187003989        0.5342570991        2.4331152922
  H         2.1766092525       -1.8870921265        3.6494630874
  H         0.7577959664       -1.7428287092        5.8457295540
  H         2.2347186766       -0.0916505891        7.2809734913
  H         2.1919069529        2.3315028658        6.0746954909
  H         0.6714356188        2.1586945257        3.9364622556
  H        -0.6295531376        0.5852498239        5.7164975167
  H        -0.6386389303       -0.2098671107        4.1048506227
 Rh        14.7185636856       19.6364417106       14.9748574827
  P        12.9557668295       19.2065313037       13.5263617854
  C        13.1296415203       20.1893027279       11.9621926307
  C        13.5061665156       21.6618329269       12.2124312130
  C        13.8474828859       22.3579824804       10.8845160974
  C        12.6901314363       22.2561861409        9.8812709558
  C        12.2536123416       20.7986156213        9.6725364798
  C        11.9351456823       20.0896123865       11.0018072705
  C        12.6629748098       17.4548213793       12.9601251134
  C        13.6755740096       17.0370042853       11.8722784005
  C        13.6041576448       15.5349445357       11.5558334590
  C        13.7831414616       14.7003579817       12.8266627369
  C        12.6817998705       15.0363841722       13.8363961344
  C        12.6965688045       16.5300580310       14.1976825651
  C        11.3349793646       19.6989893785       14.3254540225
  C        11.4085047131       19.6703044904       15.8636595273
  P        13.0841510602       20.1686975494       16.5110493517
  C        12.9205299570       21.9675065074       16.9583637831
  C        13.9853853613       22.4198663951       17.9801214675
  C        13.9929002764       23.9457584939       18.1746255829
  C        14.0881317078       24.7063272538       16.8481413839
  C        12.9471398372       24.2991071967       15.9138304835
  C        12.9976453318       22.7892558275       15.6534966659
  C        13.3288169062       19.2279318964       18.0887572733
  C        13.5997049879       17.7364996827       17.8065949213
  C        14.0339870185       17.0212952352       19.0942106207
  C        12.9826400309       17.1777578248       20.2035727461
  C        12.6231171364       18.6537034048       20.4460168551
  C        12.2261528135       19.3864643459       19.1482424145
  C        16.4481251150       19.6274677961       16.3542062162
  C        16.4660965759       20.8212718889       15.6258179008
  C        17.3222377647       20.5594026397       14.3710769097
  C        16.4443524334       19.5805608070       13.5602267421
  C        16.4220217911       18.3882297997       14.2852037085
  C        17.2884113630       18.6181973035       15.5411573152
  C        18.3689567002       19.5740677966       14.9616704095
  H        13.9994640127       19.7084976853       11.4833454770
  H        12.6639431251       22.1834170341       12.6910790689
  H        14.3533037232       21.7215131134       12.9129209445
  H        14.1051650996       23.4103831706       11.0685523772
  H        14.7480310084       21.8897371733       10.4596782926
  H        12.9838226153       22.7037635249        8.9201927773
  H        11.8363237180       22.8449091417       10.2453190255
  H        11.3709752786       20.7519075675        9.0175864486
  H        13.0613080973       20.2508323180        9.1619919303
  H        11.6638790810       19.0436163085       10.8105067699
  H        11.0570057135       20.5573454676       11.4653824402
  H        11.6519953811       17.4249935315       12.5216079866
  H        13.4948748205       17.6133024298       10.9548549288
  H        14.6973473896       17.2849920709       12.1951752292
  H        12.6312970585       15.2973631599       11.1009921761
  H        14.3687578635       15.2845034580       10.8065769591
  H        13.7814873265       13.6282380416       12.5850989671
  H        14.7684311791       14.9075697852       13.2713011650
  H        11.7053387919       14.7569981249       13.4171136610
  H        12.8051610526       14.4558096991       14.7606142934
  H        11.8472470822       16.7632864416       14.8580582763
  H        13.6062370887       16.7510883052       14.7788746202
  H        10.5343566402       19.0368610329       13.9643757716
  H        11.0915670559       20.7090465609       13.9674001234
  H        10.6292767590       20.3036797091       16.3118049397
  H        11.2392043228       18.6493045097       16.2335634042
  H        11.9214014294       22.1037901107       17.4028951620
  H        13.8092510612       21.9340461646       18.9502081974
  H        14.9831436514       22.0947378271       17.6542621728
  H        13.0743788221       24.2501825865       18.6964582610
  H        14.8304861958       24.2178888542       18.8309262817
  H        14.0750430176       25.7879530644       17.0378519736
  H        15.0529217991       24.5014825624       16.3608847640
  H        13.0069906302       24.8303529762       14.9535791898
  H        11.9805448179       24.5682174533       16.3626317010
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 Rh        12.6603115025        9.8030838379        4.6973499017
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  F        11.2166342511        9.0173959829       20.2226545380
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  C        13.2444938910       10.3744573041       16.0781527345
  C        12.7660668481        9.4031169385       16.9832983439
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  C        15.7645092752       12.0558812375       15.2252585182
  C        16.7017836779       13.0213147653       14.8372019846
  C        17.0862596269       13.1517805538       13.4977305907
  C        16.5060234334       12.2877474025       12.5610389326
  C        15.5672006956       11.3291436657       12.9598407224
  C        16.8417966503       12.3976973172       11.0969386876
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  F        15.7544851602       12.8159586862       10.3461208189
  F        17.2355392060       11.1908575359       10.5614013171
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  F        18.1483447912       14.8386172766       15.4057810566
  F        17.8386343247       13.2541310471       16.9337156873
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  C        12.4468887761       10.6743860059       12.8460063793
  C        11.4651798481       10.4123940288       11.8805271408
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  C        11.6018410467        8.0755219982       12.3848657276
  C        12.5786272486        8.3405658918       13.3508097599
  C        11.0273967052        6.6994219242       12.2313082035
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  F        11.9227394223        5.6912893292       12.4653203049
  F        10.0063021802        6.4975016739       13.1312922766
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  F        10.6237289987       12.6603856507       11.7445109248
  F        11.7673868146       11.8871112125       10.0447242465
  C        15.1929255947        8.7416243874       15.0501205923
  C        15.8572215958        8.5672560164       16.2867031740
  C        16.8096955160        7.5586198581       16.4644044214
  C        17.1152623882        6.6684423898       15.4313042174
  C        16.4819614920        6.8325823618       14.2069706018
  C        15.5597577021        7.8662088848       14.0129445820
  C        17.4841975265        7.2668917817       17.7703499236
  F        17.6134945229        8.3287768944       18.6221782620
  F        16.7938428392        6.3146159516       18.4807559880
  F        18.7590769529        6.7894130258       17.5409228429
  C        11.3917570384       13.4255541867       17.4302524526
  F        10.7857725144       13.6683253659       18.6260134435
  F        10.4812389576       13.7339352411       16.4319080960
  F        12.4023514377       14.3403479603       17.3058272493
  F        17.6300522063        4.8714988047       13.4870926169
  F        17.3765563565        6.5265283970       12.0282370150
  F        15.6574747210        5.2683629179       12.6116581326
  C        16.7878375895        5.8816770465       13.0908019797
  H        10.7429484404       11.2945411609       18.9965682150
  H        13.0876346958       12.4721811703       15.5899073855
  H        13.0764424629        8.3667221313       16.8656603918
  H        15.4956360130       11.9857595362       16.2780634516
  H        17.7985425558       13.9125373165       13.1930486072
  H        15.1369379899       10.6782674311       12.1999731656
  H        12.7468440737       11.7080511623       13.0161919694
  H        10.2756736762        8.8998174214       10.8898005039
  H        12.9777157760        7.5076202193       13.9281436711
  H        15.6300688765        9.2313517149       17.1204722584
  H        17.8250814101        5.8630252881       15.5859183132
  H        15.1131488412        7.9824761184       13.0278534625
  F         2.7324079059       18.6348029340       20.1002191247
  C         2.7320077673       18.2902426418       18.7690870831
  F         1.4077302767       18.0797869051       18.4727107322
  F         3.3604098980       17.0877224675       18.6303658583
  C         3.3409091081       19.3555376250       17.9121498243
  C         4.1829506745       19.0336747595       16.8416035385
  C         4.6935594625       20.0201055005       15.9725651270
  C         4.2751863652       21.3384354993       16.2223482986
  C         3.4395202854       21.6641255669       17.2988924345
  C         2.9684562209       20.6790539943       18.1628154392
  C         2.9235726503       23.0647789679       17.4350351278
  F         2.2995746755       23.2917966339       18.6244677085
  F         3.9024729542       24.0238440058       17.3050600803
  F         1.9924366291       23.2934268768       16.4315574099
  B         5.6120870099       19.6382527959       14.6716441834
  C         6.6516392525       18.4133135690       14.9691965576
  C         7.2687398060       18.2802691167       16.2253206371
  C         8.2430483569       17.3087781453       16.4685364934
  C         8.6422289592       16.4178366168       15.4717741647
  C         8.0499794897       16.5425645464       14.2156221124
  C         7.0867847995       17.5285270551       13.9665846854
  C         8.4235683783       15.5966083657       13.1144497310
  F         7.3128877718       15.0303569389       12.5393167217
  F         9.2157682579       14.5689418835       13.5620549366
  F         9.1082013831       16.2277117447       12.1007720100
  C         8.7835478329       17.1551075914       17.8520964925
  F         8.9100010645       18.3673730596       18.4839335085
  F        10.0143532742       16.5640062563       17.8927973406
  F         7.9539056428       16.3794237361       18.6302572027
  C         6.6318730914       20.8519955736       14.2674732189
  C         7.2112336862       21.7001521180       15.2300401800
  C         8.1643480432       22.6665870406       14.8892556353
  C         8.5930906322       22.8192100525       13.5672573014
  C         8.0400723862       21.9751314504       12.6040708072
  C         7.0850342899       21.0135238023       12.9481106940
  C         8.4042399542       22.1124760292       11.1580729676
  F         8.8235439655       20.9057437144       10.6312499641
  F         9.3804106152       23.0322234427       10.9269868154
  F         7.3247334897       22.5147014528       10.4081856677
  C         8.6820393101       23.5852285032       15.9563493171
  F         9.6016504555       24.4689933119       15.4764861634
  F         7.6876512757       24.3578050456       16.5045307041
  F         9.2704871018       22.8896689355       17.0027759318
  C         4.5425807923       19.2824425605       13.4801086889
  C         4.0529978189       17.9794929799       13.2696319982
  C         3.0837836534       17.6953468284       12.2964404607
  C         2.5599992474       18.7113921655       11.4960520674
  C         3.0185905849       20.0181054393       11.7025070248
  C         3.9798699033       20.2954486888       12.6778771238
  C         2.3991195432       21.1148628755       10.8864317814
  F         2.3718757042       20.7825276413        9.5415826562
  F         1.0899724297       21.3346074469       11.2601770329
  F         3.0363344582       22.3170781252       10.9981081793
  C         2.5089254147       16.3090312413       12.1876455532
  F         1.9323057601       16.0519692537       10.9844455873
  F         3.4285546934       15.3141294212       12.3965959297
  F         1.5223563246       16.1210105118       13.1307044069
  H         4.4389271258       17.9880900679       16.6729761880
  H         4.6011870791       22.1363446463       15.5576682451
  H         2.3094330177       20.9299193897       18.9892164014
  H         6.9859121059       18.9507152173       17.0352786418
  H         9.3767952519       15.6447798654       15.6743717780
  H         6.6641390472       17.5991066784       12.9654490655
  H         6.9096578879       21.6153574586       16.2731720296
  H         9.3179160335       23.5796361430       13.2953461180
  H         6.6820551137       20.3773447185       12.1615025584
  H         4.4309267131       17.1604195787       13.8798004153
  H         1.8078396038       18.4927281662       10.7417504148
  H         4.2991563338       21.3268761388       12.8144658113
  F        15.6191004951        1.2745314651       -0.2928381966
  C        15.6620565315        1.6683831606        1.0283747058
  F        16.9913409654        1.8962295644        1.3186676558
  F        15.0495729047        2.8844328016        1.1021125174
  C        15.0738789122        0.6119427934        1.9259498008
  C        14.2287852322        0.9243847213        2.9976701080
  C        13.7333484095       -0.0711354679        3.8688028791
  C        14.1751456919       -1.3831930331        3.6346163834
  C        15.0057611918       -1.7038178697        2.5565969106
  C        15.4570134515       -0.7137455478        1.6830960616
  C        15.4682288095       -3.1195677470        2.3840889732
  F        16.0486006768       -3.3176239738        1.1714790400
  F        14.4479596072       -4.0413661116        2.4965921550
  F        16.4091345518       -3.4510923324        3.3548076307
  B        12.7886333476        0.2695332149        5.1611406347
  C        11.7358791809        1.4805415604        4.8475976674
  C        11.1259651052        1.5925744625        3.5830850968
  C        10.1463383264        2.5536204792        3.3204358559
  C         9.7317888463        3.4536434427        4.3065668256
  C        10.3175556941        3.3512943670        5.5656264866
  C        11.2909789107        2.3779014036        5.8326281888
  C         9.9533282511        4.3103541412        6.6596725816
  F        11.0929850879        4.8787179301        7.1890615975
  F         9.1365214831        5.3315769891        6.2379852242
  F         9.3073141606        3.6815959789        7.6991419850
  C         9.6235138181        2.7189420825        1.9287606163
  F         9.4966851156        1.5336445972        1.2493566967
  F         8.4028922949        3.3406106486        1.9036476798
  F        10.4693475099        3.4753273804        1.1640698085
  C        11.7886019761       -0.9666656643        5.5529367693
  C        11.2498703793       -1.8437660168        4.5937590079
  C        10.2929356447       -2.8085411732        4.9274858694
  C         9.8229481993       -2.9369458639        6.2375230958
  C        10.3412189532       -2.0714289130        7.1994528393
  C        11.3007813681       -1.1092518860        6.8634178637
  C         9.9455637244       -2.1879408167        8.6398849665
  F         9.5858537316       -0.9740493107        9.1688087287
  F         8.9073082684       -3.0504430529        8.8702999085
  F        11.0138616665       -2.6144816628        9.3930425826
  C         9.7519021765       -3.6988061026        3.8498455144
  F         8.8176676480       -4.5678135762        4.3253132974
  F        10.7197950252       -4.4529292434        3.2284153381
  F         9.1413348839       -2.9678346387        2.8545855985
  C        13.8517225194        0.6104153916        6.3579467355
  C        14.3431187808        1.9094943852        6.5696244174
  C        15.3249379655        2.1863553899        7.5308809977
  C        15.8662208362        1.1722878396        8.3177598108
  C        15.4106031390       -0.1336387047        8.1044989095
  C        14.4293907421       -0.4065367788        7.1462481623
  C        16.0232251358       -1.2294835318        8.9237191896
  F        16.0414325506       -0.8759929570       10.2630174688
  F        17.3294669971       -1.4916029977        8.5809993331
  F        15.3721210888       -2.4176314123        8.8048759990
  C        15.8736088119        3.5758512170        7.6244841875
  F        16.4764272544        3.8578756721        8.8089308046
  F        14.9140504657        4.5290810383        7.4083470099
  F        16.8289495841        3.7882510450        6.6601908491
  H        13.9520073713        1.9650714853        3.1611640756
  H        13.8629469591       -2.1817750485        4.3066765287
  H        16.1025715590       -0.9644517560        0.8459040510
  H        11.4218994410        0.9152846373        2.7828073242
  H         8.9915496730        4.2179807629        4.0927295967
  H        11.7159046138        2.3312940318        6.8345682985
  H        11.5789840719       -1.7775194270        3.5575236082
  H         9.0883825101       -3.6905859378        6.5020587237
  H        11.6745761347       -0.4518702944        7.6472992475
  H        13.9585170879        2.7338137406        5.9706787417
  H        16.6234589083        1.3911375846        9.0671161256
  H        14.1082642855       -1.4373847968        7.0097536462
  H        10.8031877929       11.7722554259        4.7395650390
  H        11.6037501558       10.0620167973        3.1329284507
     646
 i =      117, E =         0.0004390143
 Rh         3.6433012612        0.2392130563        4.8202254451
  P         5.3884506308        0.6383973843        6.2865099109
  C         5.2296671882       -0.3035599586        7.8720290225
  C         4.8349723907       -1.7782086194        7.6642776202
  C         4.5351820335       -2.4379646129        9.0207660292
  C         5.7202061576       -2.3162548245        9.9894490906
  C         6.1867077365       -0.8608933278       10.1417999114
  C         6.4623997427       -0.1946588975        8.7831002819
  C         5.6701177993        2.4057677013        6.8057289236
  C         4.6386101961        2.8206008986        7.8790498657
  C         4.6251427480        4.3307055831        8.1688850310
  C         4.5415956524        5.1625941086        6.8862662777
  C         5.6968246184        4.8031683272        5.9494737901
  C         5.6279541373        3.3202833791        5.5624949317
  C         7.0008912118        0.0932686325        5.5201389670
  C         6.9731188109        0.2301220816        3.9889529749
  P         5.3100403455       -0.2369978267        3.2927028669
  C         5.4663535752       -2.0241304634        2.7893388983
  C         4.3769686406       -2.4022862469        1.7657973623
  C         4.3807821757       -3.9031827161        1.4560174684
  C         4.2441345419       -4.7462779175        2.7257733063
  C         5.3770304190       -4.4241823610        3.7050107466
  C         5.4108717688       -2.9245106204        4.0451007596
  C         5.1299550242        0.7044769190        1.7084911061
  C         4.8510487274        2.2047811927        1.9241080328
  C         4.4307838335        2.8418436324        0.5886522233
  C         5.4971183732        2.6394778063       -0.4995611352
  C         5.8972069952        1.1620952129       -0.6485448892
  C         6.2765947979        0.5206217042        0.6996187907
  C         1.8832060342        0.3165246889        3.4711244792
  C         1.9089788865       -0.9337594026        4.0953978807
  C         1.0753718109       -0.8044303257        5.3843614507
  C         1.9436246747        0.1268214818        6.2575964755
  C         1.9163047996        1.3766235765        5.6373674666
  C         1.0318415577        1.2285508098        4.3826793736
  C        -0.0085188639        0.1984184368        4.9022455234
  H         4.3822014767        0.1947622710        8.3715730098
  H         5.6537720277       -2.3174536251        7.1647238541
  H         3.9623528008       -1.8477629607        6.9972727716
  H         4.2681529257       -3.4943050302        8.8749831635
  H         3.6503902691       -1.9540009651        9.4595558319
  H         5.4433278516       -2.7267439288       10.9714087425
  H         6.5554470897       -2.9303851716        9.6263436484
  H         7.0955452071       -0.8107106245       10.7596689559
  H         5.4088780385       -0.2846265384       10.6671025969
  H         6.7587885178        0.8519024920        8.9319688555
  H         7.3124017884       -0.6912467317        8.2974410294
  H         6.6804743280        2.4590510834        7.2429288464
  H         4.8412621846        2.2795800577        8.8131799923
  H         3.6340608494        2.5096246795        7.5598251521
  H         5.5368861203        4.6104526531        8.7158518692
  H         3.7814495822        4.5554794905        8.8373359691
  H         4.5487946041        6.2331090685        7.1331025095
  H         3.5867368303        4.9748607767        6.3728522922
  H         6.6528813413        5.0136397786        6.4482999511
  H         5.6792197920        5.4174474183        5.0399594044
  H         6.4514134841        3.0673965599        4.8785165522
  H         4.6948296756        3.1305485270        5.0069899980
  H         7.8389259132        0.6557664195        5.9563835076
  H         7.1402788946       -0.9583103056        5.8085360030
  H         7.7659177641       -0.3679529928        3.5170140829
  H         7.1425916737        1.2754970349        3.6948214794
  H         6.4526203255       -2.1416825844        2.3116607975
  H         4.5118917827       -1.8354011467        0.8348691953
  H         3.3875870310       -2.1203454075        2.1499465807
  H         5.3180594222       -4.1643620332        0.9439302290
  H         3.5662747245       -4.1250711636        0.7549884618
  H         4.2403885268       -5.8141725519        2.4674565732
  H         3.2717483896       -4.5484852290        3.2010135539
  H         5.2615855778       -4.9952025905        4.6385656878
  H         6.3390768983       -4.7286313810        3.2677025101
  H         6.2717971732       -2.7146402718        4.6959813282
  H         4.5125663069       -2.6607632783        4.6265037675
  H         4.2162899749        0.2662774203        1.2729330847
  H         5.7576735221        2.7017609856        2.3007213241
  H         4.0718041176        2.3465629448        2.6885243191
  H         4.2272625275        3.9127738357        0.7279510191
  H         3.4824638895        2.3869377066        0.2651606681
  H         6.3877377312        3.2356341237       -0.2528993110
  H         5.1258788309        3.0258642000       -1.4602388164
  H         6.7393329652        1.0664273012       -1.3497565448
  H         5.0568374154        0.5986453463       -1.0846974953
  H         7.1820092006        1.0004989283        1.0921733821
  H         6.5208000804       -0.5396034495        0.5558341285
  H         2.1188493017        0.5341871650        2.4330827697
  H         2.1766775921       -1.8870195463        3.6497121668
  H         0.7579179536       -1.7423906368        5.8460569668
  H         2.2349426254       -0.0911040597        7.2809700593
  H         2.1922905477        2.3318943731        6.0743870078
  H         0.6716979192        2.1589241626        3.9362623663
  H        -0.6293101110        0.5857483389        5.7165721553
  H        -0.6385082445       -0.2095778426        4.1050315410
 Rh        14.7185719961       19.6364656052       14.9748580477
  P        12.9559450125       19.2066162856       13.5263381164
  C        13.1298183392       20.1893040011       11.9621155494
  C        13.5062816801       21.6619254960       12.2124857330
  C        13.8475224009       22.3581417675       10.8845453717
  C        12.6900480849       22.2563732706        9.8813455993
  C        12.2534118373       20.7988042592        9.6726353595
  C        11.9352187062       20.0897514841       11.0019132346
  C        12.6632588340       17.4547948410       12.9603574407
  C        13.6759263446       17.0369819569       11.8726312501
  C        13.6044412796       15.5350028995       11.5559399440
  C        13.7830452525       14.7001045670       12.8266581874
  C        12.6817803477       15.0363856360       13.8364224974
  C        12.6970112606       16.5299866409       14.1979163026
  C        11.3351669700       19.6994993460       14.3251218559
  C        11.4084275668       19.6701162701       15.8633720139
  P        13.0840152837       20.1686170123       16.5108696529
  C        12.9201267439       21.9673639115       16.9583532226
  C        13.9853595715       22.4194528584       17.9798426680
  C        13.9927385739       23.9452233039       18.1748778003
  C        14.0883394127       24.7059534983       16.8485090558
  C        12.9472203433       24.2993153122       15.9140672104
  C        12.9968105836       22.7893661985       15.6535811899
  C        13.3288041740       19.2279600343       18.0885976740
  C        13.5999384306       17.7365241423       17.8065748923
  C        14.0338513806       17.0213598063       19.0943212283
  C        12.9822334890       17.1778971888       20.2034577522
  C        12.6231117039       18.6539566257       20.4459005874
  C        12.2261427904       19.3866015035       19.1480562840
  C        16.4483370101       19.6272761903       16.3541005868
  C        16.4662005807       20.8211930360       15.6258995442
  C        17.3221934671       20.5594533835       14.3709572196
  C        16.4442149024       19.5807169276       13.5601442011
  C        16.4219854860       18.3882703282       14.2850536718
  C        17.2884552558       18.6181127158       15.5408327571
  C        18.3690227905       19.5740268957       14.9613272366
  H        13.9996217822       19.7086105967       11.4831921687
  H        12.6640467111       22.1833839355       12.6911313449
  H        14.3534224591       21.7216176296       12.9128967843
  H        14.1051010484       23.4105249215       11.0686381059
  H        14.7480351582       21.8899676012       10.4596425025
  H        12.9837277212       22.7039060371        8.9202755456
  H        11.8363439779       22.8451308391       10.2454552941
  H        11.3706627882       20.7522268039        9.0178935631
  H        13.0609866501       20.2510175517        9.1618557097
  H        11.6639061787       19.0436990382       10.8105815110
  H        11.0571524885       20.5574088030       11.4656658963
  H        11.6522641272       17.4247955086       12.5218811064
  H        13.4954137505       17.6134301454       10.9552026267
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 Rh        12.6602453181        9.8032010849        4.6973727729
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  F        11.2165150042        9.0174930339       20.2228466345
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  C        13.2444243577       10.3743864100       16.0781478201
  C        12.7658794446        9.4030358179       16.9832459594
  B        14.1559331989        9.9820987094       14.7700059648
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  C        15.7644479912       12.0560047768       15.2251352462
  C        16.7018166060       13.0214037926       14.8371435488
  C        17.0862782473       13.1517756176       13.4977044457
  C        16.5059364521       12.2876601040       12.5612691061
  C        15.5671749455       11.3289533186       12.9598623737
  C        16.8420767138       12.3976283660       11.0970253869
  F        17.8574396489       13.2701277840       10.8524970553
  F        15.7543020743       12.8160425739       10.3458805565
  F        17.2354775136       11.1908822860       10.5613206466
  C        17.2389249498       13.9424201250       15.8967682643
  F        16.2461158478       14.6727462847       16.4976490987
  F        18.1483087197       14.8385677579       15.4058562703
  F        17.8386609321       13.2541950492       16.9337303778
  C        13.0494945823        9.6446883095       13.5980082588
  C        12.4467753524       10.6743539831       12.8458744520
  C        11.4651667731       10.4128604537       11.8803262294
  C        11.0411783014        9.1073730086       11.6306797191
  C        11.6022790107        8.0757065581       12.3852589595
  C        12.5787210959        8.3405484716       13.3512616609
  C        11.0272928758        6.6992098245       12.2312865409
  F        10.4971029568        6.4947972306       10.9939853079
  F        11.9229310891        5.6912464687       12.4654173605
  F        10.0061689254        6.4975013767       13.1315292683
  C        10.9013780675       11.5267707930       11.0441044730
  F         9.7394434853       11.1776863495       10.4116613528
  F        10.6241200213       12.6598926052       11.7439254965
  F        11.7666863729       11.8875070459       10.0456018509
  C        15.1923992762        8.7423592720       15.0506941731
  C        15.8570322301        8.5673758220       16.2866879890
  C        16.8096792041        7.5584879895       16.4640120543
  C        17.1155056697        6.6683100529       15.4313064548
  C        16.4825446274        6.8319876089       14.2070020376
  C        15.5598962940        7.8660013258       14.0133128447
  C        17.4841709811        7.2668638257       17.7705657363
  F        17.6135276728        8.3291033429       18.6223808769
  F        16.7936340867        6.3144094355       18.4806981496
  F        18.7593058646        6.7892380410       17.5408311854
  C        11.3918267300       13.4255065521       17.4302743032
  F        10.7858406553       13.6684001585       18.6258841437
  F        10.4812726919       13.7340664547       16.4319654929
  F        12.4022119336       14.3403541220       17.3058450126
  F        17.6305202159        4.8722699368       13.4876046623
  F        17.3767000121        6.5268250494       12.0281756872
  F        15.6566832802        5.2692941570       12.6113221802
  C        16.7877936685        5.8811831622       13.0909301947
  H        10.7432302465       11.2945525642       18.9966750314
  H        13.0877196494       12.4722517155       15.5899203426
  H        13.0761288262        8.3666445700       16.8653800348
  H        15.4953510271       11.9859741405       16.2781566825
  H        17.7985395567       13.9124917617       13.1930569112
  H        15.1371709403       10.6781724306       12.2001001084
  H        12.7468508250       11.7081914488       13.0161341404
  H        10.2757372024        8.8997158299       10.8891894975
  H        12.9771266700        7.5080658144       13.9282397757
  H        15.6299660088        9.2312075791       17.1202784971
  H        17.8249404845        5.8635272222       15.5856838153
  H        15.1126060424        7.9824281900       13.0272414395
  F         2.7317568674       18.6329019100       20.1001130623
  C         2.7319461756       18.2913209128       18.7684627560
  F         1.4080441487       18.0790233598       18.4737762643
  F         3.3593046245       17.0874031868       18.6315958325
  C         3.3415704065       19.3558128082       17.9111223839
  C         4.1830554486       19.0331460892       16.8414606400
  C         4.6928586724       20.0193670525       15.9737516272
  C         4.2751283282       21.3384401181       16.2226851132
  C         3.4395240203       21.6639532717       17.2989371190
  C         2.9683865993       20.6786945168       18.1626154595
  C         2.9235517822       23.0645131588       17.4348471913
  F         2.2998955775       23.2922906720       18.6242700856
  F         3.9022849191       24.0240005650       17.3053388755
  F         1.9925248105       23.2935835711       16.4317367254
  B         5.6123587667       19.6381932007       14.6712022582
  C         6.6514751659       18.4132115142       14.9692785905
  C         7.2686776809       18.2801349039       16.2253727597
  C         8.2431192932       17.3086678420       16.4684658168
  C         8.6423876229       16.4178674742       15.4717592650
  C         8.0500129752       16.5425779498       14.2157307550
  C         7.0866752506       17.5284286862       13.9666843502
  C         8.4235208034       15.5965862484       13.1144072729
  F         7.3129720868       15.0304950447       12.5391477893
  F         9.2158943011       14.5689013295       13.5620603554
  F         9.1081117063       16.2276443399       12.1007421562
  C         8.7835016386       17.1551535442       17.8520331810
  F         8.9101317275       18.3673783622       18.4839679562
  F        10.0143634342       16.5640218894       17.8928214050
  F         7.9539366804       16.3793580972       18.6302919564
  C         6.6320309558       20.8519127366       14.2673488847
  C         7.2113691222       21.6999919769       15.2300028238
  C         8.1643718883       22.6665599298       14.8892491369
  C         8.5930015237       22.8192821350       13.5672316254
  C         8.0399538775       21.9750392475       12.6041921784
  C         7.0849955897       21.0133560714       12.9481299999
  C         8.4042639257       22.1125407091       11.1580621479
  F         8.8235640087       20.9057212564       10.6311902604
  F         9.3804140157       23.0322048033       10.9268370658
  F         7.3247906757       22.5146838255       10.4081395012
  C         8.6820128667       23.5852115987       15.9563549659
  F         9.6016900091       24.4690169655       15.4764382048
  F         7.6876640495       24.3578024656       16.5044922474
  F         9.2705285012       22.8896522098       17.0027839394
  C         4.5426533645       19.2824299820       13.4802965840
  C         4.0529785901       17.9795051283       13.2696105959
  C         3.0836663872       17.6953997603       12.2962999371
  C         2.5598973531       18.7114250281       11.4960143411
  C         3.0185191170       20.0179968515       11.7024794506
  C         3.9798040007       20.2953960401       12.6778566309
  C         2.3990328984       21.1146726058       10.8863538532
  F         2.3720142276       20.7826596333        9.5417199720
  F         1.0899592222       21.3346551709       11.2600670194
  F         3.0364393725       22.3172690702       10.9979329766
  C         2.5089134467       16.3089238705       12.1877562585
  F         1.9323664080       16.0520063947       10.9844727099
  F         3.4284724999       15.3142306323       12.3964921613
  F         1.5224668849       16.1210614436       13.1305437850
  H         4.4386750630       17.9890057383       16.6730722709
  H         4.6016066506       22.1368385762       15.5575706487
  H         2.3089586508       20.9300439171       18.9891796599
  H         6.9857190847       18.9505461779       17.0353742654
  H         9.3769970150       15.6450500091       15.6742558605
  H         6.6638917571       17.5988842561       12.9654792577
  H         6.9098896616       21.6150935550       16.2733147717
  H         9.3176898038       23.5798286011       13.2953026699
  H         6.6821602282       20.3773085556       12.1615932046
  H         4.4309423708       17.1603660142       13.8798305126
  H         1.8078529584       18.4927874337       10.7419426431
  H         4.2991660435       21.3269677715       12.8145545406
  F        15.6185345386        1.2751840440       -0.2929531447
  C        15.6621747714        1.6683437524        1.0285903628
  F        16.9914814496        1.8962505818        1.3186576076
  F        15.0495310230        2.8842421569        1.1014190301
  C        15.0737901236        0.6117811992        1.9260246770
  C        14.2286330273        0.9243514458        2.9974826423
  C        13.7333269478       -0.0712677419        3.8684248986
  C        14.1748880200       -1.3832672456        3.6344096279
  C        15.0056903769       -1.7036276018        2.5566162752
  C        15.4572524300       -0.7137310326        1.6832217657
  C        15.4681351692       -3.1194410948        2.3839302178
  F        16.0486408424       -3.3177204129        1.1715093069
  F        14.4479501999       -4.0414605266        2.4966281839
  F        16.4092461184       -3.4512665735        3.3548833566
  B        12.7883447370        0.2695360162        5.1609361312
  C        11.7360374048        1.4805755799        4.8475793693
  C        11.1259572834        1.5927348775        3.5829277270
  C        10.1463410523        2.5536404806        3.3200086494
  C         9.7319470095        3.4536318094        4.3065562177
  C        10.3176033158        3.3514910031        5.5659284714
  C        11.2910255754        2.3779803824        5.8326267860
  C         9.9543576492        4.3107407214        6.6598433737
  F        11.0918629092        4.8777994961        7.1883099182
  F         9.1364052226        5.3316039112        6.2380446092
  F         9.3072776816        3.6816568717        7.6993458308
  C         9.6235272926        2.7190181083        1.9288601577
  F         9.4968560879        1.5335154759        1.2493488656
  F         8.4028720806        3.3407830910        1.9037231960
  F        10.4693638972        3.4753451512        1.1640697788
  C        11.7883871585       -0.9665133101        5.5528764159
  C        11.2495584085       -1.8435173082        4.5936650427
  C        10.2928119955       -2.8084879023        4.9274696982
  C         9.8229785561       -2.9370168230        6.2375424994
  C        10.3412193890       -2.0713982446        7.1993676002
  C        11.3006935803       -1.1091455599        6.8633156624
  C         9.9455698361       -2.1879520453        8.6398970734
  F         9.5857667864       -0.9741029749        9.1688219919
  F         8.9073319603       -3.0503757990        8.8703386669
  F        11.0138239566       -2.6144895103        9.3930351944
  C         9.7518253293       -3.6988662814        3.8498316707
  F         8.8177144453       -4.5677520660        4.3252871705
  F        10.7197806334       -4.4529002826        3.2284327385
  F         9.1413226350       -2.9678289418        2.8545655014
  C        13.8520751737        0.6107808258        6.3580844245
  C        14.3431375755        1.9094831042        6.5693995848
  C        15.3245616650        2.1854605684        7.5305354968
  C        15.8665154687        1.1721461412        8.3176428950
  C        15.4105951156       -0.1332889740        8.1042445447
  C        14.4293046658       -0.4064507288        7.1461542400
  C        16.0231626479       -1.2295067303        8.9236703892
  F        16.0414234299       -0.8760424333       10.2629739008
  F        17.3295248766       -1.4916957706        8.5810571384
  F        15.3721985169       -2.4176314022        8.8049532856
  C        15.8731580017        3.5762132426        7.6226299668
  F        16.4779234748        3.8581966654        8.8108038057
  F        14.9135028004        4.5290152812        7.4084347438
  F        16.8290258187        3.7877982438        6.6603210068
  H        13.9516971809        1.9649968752        3.1608718242
  H        13.8624831033       -2.1818617862        4.3062628004
  H        16.1031069059       -0.9643714977        0.8462365013
  H        11.4219373209        0.9155141510        2.7826551594
  H         8.9914675881        4.2182573484        4.0926628657
  H        11.7159326792        2.3313201619        6.8343602359
  H        11.5784282976       -1.7770949222        3.5572938560
  H         9.0885735175       -3.6907518721        6.5020940069
  H        11.6744754031       -0.4517756716        7.6471795945
  H        13.9585303551        2.7336712833        5.9704803393
  H        16.6236446424        1.3910079992        9.0664468284
  H        14.1079758836       -1.4375788443        7.0097796546
  H        10.8029937497       11.7723912622        4.7385053492
  H        11.6034993954       10.0615243678        3.1326548897
     646
 i =      118, E =         0.0044000162
 Rh         3.6435360239        0.2393109461        4.8203194156
  P         5.3885824407        0.6384004484        6.2866931442
  C         5.2296861218       -0.3038774031        7.8719879577
  C         4.8353236076       -1.7786285108        7.6639981878
  C         4.5351528817       -2.4384170844        9.0203703284
  C         5.7201190114       -2.3169563493        9.9891542598
  C         6.1865826057       -0.8616121066       10.1418436429
  C         6.4622513404       -0.1949614825        8.7833386236
  C         5.6700620240        2.4057944394        6.8059847486
  C         4.6382899420        2.8207937150        7.8789391724
  C         4.6257774055        4.3308454210        8.1690609502
  C         4.5418656231        5.1628011255        6.8864837105
  C         5.6965191896        4.8032593332        5.9490390064
  C         5.6281087727        3.3201737260        5.5626103294
  C         7.0010555175        0.0934039886        5.5202710571
  C         6.9733176871        0.2302463576        3.9890539796
  P         5.3102220080       -0.2369935991        3.2928654594
  C         5.4669396512       -2.0240954260        2.7895705921
  C         4.3778932164       -2.4022580543        1.7656692438
  C         4.3809779849       -3.9032810512        1.4563734212
  C         4.2444121064       -4.7460895169        2.7263322880
  C         5.3776158194       -4.4240567166        3.7052256380
  C         5.4113094429       -2.9244186885        4.0453659747
  C         5.1294852957        0.7042576591        1.7086076762
  C         4.8503490248        2.2045414888        1.9242470906
  C         4.4307242520        2.8419497256        0.5887707165
  C         5.4975274428        2.6397416118       -0.4990057280
  C         5.8968855684        1.1622236047       -0.6484712574
  C         6.2758812210        0.5201504477        0.6995145719
  C         1.8834433962        0.3166081361        3.4711643242
  C         1.9091341350       -0.9335705277        4.0956893747
  C         1.0756070026       -0.8038997452        5.3846318114
  C         1.9439568562        0.1274879185        6.2576940835
  C         1.9167539276        1.3771548104        5.6372267185
  C         1.0321837666        1.2288707882        4.3825330576
  C        -0.0082286861        0.1989518647        4.9024024513
  H         4.3820158883        0.1941699976        8.3714844037
  H         5.6544789357       -2.3176983842        7.1648479707
  H         3.9630339138       -1.8483548771        6.9966072648
  H         4.2679157140       -3.4946878802        8.8745185461
  H         3.6504103807       -1.9542792449        9.4590855536
  H         5.4432297141       -2.7276707519       10.9710237191
  H         6.5553536334       -2.9310265892        9.6259173290
  H         7.0954316375       -0.8115546721       10.7596908720
  H         5.4087362601       -0.2855442528       10.6673225683
  H         6.7583405043        0.8516407174        8.9325121526
  H         7.3124211800       -0.6912006752        8.2976275558
  H         6.6802769206        2.4591493598        7.2435165637
  H         4.8400904708        2.2793621558        8.8130252590
  H         3.6336742700        2.5106296045        7.5591178267
  H         5.5380128036        4.6100108131        8.7154977543
  H         3.7826002023        4.5560343985        8.8380011572
  H         4.5495260866        6.2333285589        7.1333917872
  H         3.5866505495        4.9754064001        6.3736431721
  H         6.6528600568        5.0144497695        6.4469688456
  H         5.6778588063        5.4170192641        5.0392152562
  H         6.4519051709        3.0673754740        4.8789958737
  H         4.6952630600        3.1300153288        5.0068086314
  H         7.8390816489        0.6558816030        5.9565444627
  H         7.1404275181       -0.9581675299        5.8086534307
  H         7.7660645509       -0.3679794149        3.5172229725
  H         7.1429448106        1.2755635397        3.6948688714
  H         6.4533931237       -2.1415115868        2.3122423509
  H         4.5137377850       -1.8358825382        0.8345468218
  H         3.3884621306       -2.1194920859        2.1491009353
  H         5.3179885509       -4.1649967661        0.9440898341
  H         3.5661882438       -4.1249822292        0.7556372290
  H         4.2403427989       -5.8140144790        2.4681864491
  H         3.2721959467       -4.5479862927        3.2018334609
  H         5.2625957347       -4.9951713844        4.6387459495
  H         6.3395473483       -4.7283054674        3.2675279226
  H         6.2720833836       -2.7144393408        4.6963745952
  H         4.5128720151       -2.6607679406        4.6266103529
  H         4.2157129419        0.2658666832        1.2734107995
  H         5.7566688882        2.7015504511        2.3015090858
  H         4.0706487539        2.3460086047        2.6882632818
  H         4.2272561211        3.9128496628        0.7282910743
  H         3.4825103056        2.3872461415        0.2646642578
  H         6.3883265434        3.2352943540       -0.2515019237
  H         5.1270276485        3.0268221788       -1.4596640409
  H         6.7390240744        1.0663142741       -1.3496115738
  H         5.0562344803        0.5993830111       -1.0848877136
  H         7.1816662534        0.9992490412        1.0921297199
  H         6.5192899528       -0.5402042645        0.5554041732
  H         2.1190700190        0.5340654284        2.4330804899
  H         2.1767884146       -1.8869212688        3.6501085040
  H         0.7580970647       -1.7417294292        5.8465972896
  H         2.2353246240       -0.0902574574        7.2810813909
  H         2.1928830423        2.3324764949        6.0738933369
  H         0.6721368051        2.1592194599        3.9359838115
  H        -0.6289152507        0.5865213503        5.7166840056
  H        -0.6383263805       -0.2091383886        4.1053016113
 Rh        14.7185961494       19.6365063858       14.9748556920
  P        12.9562049699       19.2067518232       13.5262816066
  C        13.1300998060       20.1893593546       11.9620303403
  C        13.5064512183       21.6620268285       12.2125080718
  C        13.8475302543       22.3583762756       10.8846023150
  C        12.6899302645       22.2566338187        9.8815093134
  C        12.2531219093       20.7991192720        9.6727914337
  C        11.9353060263       20.0898982692       11.0020670771
  C        12.6636925974       17.4547479472       12.9607534722
  C        13.6764833887       17.0369827349       11.8731400181
  C        13.6048910414       15.5350757136       11.5561246999
  C        13.7828651508       14.6997357836       12.8266451939
  C        12.6817606433       15.0363684224       13.8364760228
  C        12.6976873147       16.5298869341       14.1982691724
  C        11.3354674719       19.7002299706       14.3246470621
  C        11.4083295374       19.6698089950       15.8628799735
  P        13.0837758666       20.1684967844       16.5105979911
  C        12.9195307183       21.9671391006       16.9583175745
  C        13.9852863367       22.4187921903       17.9794257798
  C        13.9924911694       23.9443745427       18.1752561326
  C        14.0886216998       24.7053997667       16.8491166542
  C        12.9473804026       24.2995952534       15.9144407102
  C        12.9954873585       22.7895780767       15.6537565886
  C        13.3287962591       19.2279996111       18.0883534491
  C        13.6002909680       17.7365812112       17.8065614478
  C        14.0336324662       17.0214673951       19.0945225404
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 Rh        12.6601395921        9.8033850748        4.6973922545
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  H         3.2839804498        9.1934737938        7.6786777385
  H         5.5825722684        8.1726591205        6.7249579717
  H         8.0451113415       10.8354059958        9.0352074405
  H         5.4809503234       12.3847369567        5.9377276303
  H         2.9069360064       10.6140930669        2.7205393019
  H         0.5498172509       13.9480087958        4.0739566133
  H         3.2113239192       11.9408899389        6.7978737442
  F         9.9829021492        8.3887832155       18.4855897781
  C        11.2759060113        8.6561467787       18.8867217114
  F        11.9351880074        7.4693042012       18.8445500376
  F        11.2164464112        9.0175547836       20.2229613514
  C        11.8825050104        9.7250493776       18.0215443071
  C        11.4366954146       11.0392713775       18.2003980767
  C        11.8880672943       12.0127712951       17.3095130305
  C        12.7688613951       11.6836539123       16.2704616938
  C        13.2443280493       10.3743505661       16.0781196957
  C        12.7656262776        9.4029613947       16.9831064053
  B        14.1560668580        9.9819605289       14.7700548822
  C        15.1608808735       11.1874795698       14.3000732491
  C        15.7642943918       12.0561642525       15.2250268400
  C        16.7017997666       13.0214851480       14.8370836695
  C        17.0862834121       13.1517568674       13.4976936957
  C        16.5058796278       12.2875571949       12.5614110604
  C        15.5672240192       11.3287629788       12.9598579539
  C        16.8422447187       12.3975139855       11.0970675319
  F        17.8574686851       13.2701566028       10.8523767223
  F        15.7541851844       12.8161015530       10.3457315213
  F        17.2354287760       11.1909442701       10.5612873094
  C        17.2388799248       13.9423946865       15.8967181122
  F        16.2461554439       14.6727558889       16.4976575553
  F        18.1482926412       14.8385365073       15.4058839752
  F        17.8386602789       13.2542468329       16.9337053083
  C        13.0492139186        9.6444584281       13.5979706644
  C        12.4466721801       10.6743608644       12.8457492096
  C        11.4651704627       10.4131151352       11.8801294435
  C        11.0414828211        9.1075209161       11.6305308527
  C        11.6025197761        8.0758098120       12.3855035293
  C        12.5785701421        8.3404917329       13.3516752313
  C        11.0272290583        6.6991131687       12.2312777219
  F        10.4970252946        6.4947388012       10.9938148633
  F        11.9230201597        5.6912096006       12.4654402818
  F        10.0060874360        6.4974643524       13.1316520259
  C        10.9014121640       11.5264422187       11.0443085521
  F         9.7395663208       11.1779830783       10.4116960350
  F        10.6243246566       12.6597153724       11.7435920555
  F        11.7664188533       11.8879180419       10.0458117922
  C        15.1920044520        8.7427709911       15.0510304282
  C        15.8568743377        8.5674070650       16.2866799507
  C        16.8096411752        7.5584790321       16.4637723053
  C        17.1157281890        6.6683130689       15.4312781728
  C        16.4829059563        6.8315880432       14.2069757320
  C        15.5598316555        7.8658676471       14.0135842410
  C        17.4841586958        7.2668532152       17.7706916118
  F        17.6135386814        8.3292784573       18.6224786665
  F        16.7935176351        6.3143057919       18.4806613860
  F        18.7594467664        6.7891330221       17.5407775567
  C        11.3918815789       13.4254480334       17.4302707926
  F        10.7858619759       13.6684468902       18.6258528689
  F        10.4813047725       13.7341376409       16.4320123320
  F        12.4021539436       14.3403823735       17.3058522643
  F        17.6309607883        4.8726855839       13.4880197020
  F        17.3766783115        6.5269374142       12.0283970918
  F        15.6561681778        5.2699549391       12.6111758721
  C        16.7877578192        5.8809724249       13.0907474320
  H        10.7436221052       11.2945833455       18.9969085163
  H        13.0878247298       12.4723145215       15.5899922304
  H        13.0756390720        8.3664994469       16.8649561820
  H        15.4949445494       11.9863147281       16.2781534066
  H        17.7985563373       13.9124451090       13.1930430118
  H        15.1374852986       10.6779489857       12.2002108545
  H        12.7468533320       11.7082673380       13.0160600300
  H        10.2760866999        8.8995964424       10.8884945995
  H        12.9764021886        7.5084336271       13.9286477615
  H        15.6298068445        9.2310735104       17.1201583736
  H        17.8250293675        5.8639965908       15.5854300237
  H        15.1120605116        7.9822538545       13.0268941803
  F         2.7312827076       18.6316035263       20.1000710035
  C         2.7318229420       18.2919150640       18.7679378320
  F         1.4083172583       18.0785042270       18.4745868603
  F         3.3584722825       17.0873334083       18.6324712026
  C         3.3419508362       19.3560236940       17.9103884661
  C         4.1830582536       19.0327879700       16.8413956543
  C         4.6924374910       20.0188962060       15.9745389254
  C         4.2752107269       21.3384057164       16.2229827306
  C         3.4394286256       21.6638364334       17.2990699521
  C         2.9681783228       20.6784584407       18.1624090577
  C         2.9235767680       23.0643705698       17.4346670486
  F         2.3000914916       23.2925296324       18.6241495599
  F         3.9021331440       24.0240685725       17.3055418815
  F         1.9925835076       23.2936651261       16.4318964305
  B         5.6125160038       19.6381174827       14.6709627474
  C         6.6512806096       18.4130227663       14.9693724854
  C         7.2685599139       18.2799204095       16.2254598790
  C         8.2431616969       17.3085929098       16.4684369393
  C         8.6425962365       16.4179432708       15.4717040105
  C         8.0500319557       16.5425595152       14.2158028565
  C         7.0864935144       17.5282425980       13.9668084432
  C         8.4235159748       15.5965600002       13.1144228406
  F         7.3130011847       15.0305664186       12.5390289164
  F         9.2159559457       14.5688927417       13.5620562144
  F         9.1080629463       16.2276142862       12.1007092707
  C         8.7835097524       17.1551625181       17.8520235245
  F         8.9102023803       18.3673658390       18.4839716333
  F        10.0143349740       16.5640459288       17.8928269629
  F         7.9539743192       16.3793341558       18.6302946945
  C         6.6322011621       20.8517546200       14.2673247534
  C         7.2115572098       21.6997399627       15.2300454469
  C         8.1643816698       22.6664995399       14.8892735698
  C         8.5928187711       22.8193531052       13.5672124603
  C         8.0398345818       21.9749503395       12.6042680757
  C         7.0850231766       21.0131893409       12.9481381202
  C         8.4042566691       22.1125646300       11.1580647025
  F         8.8235679524       20.9057067746       10.6311648555
  F         9.3804180711       23.0322033936       10.9267320550
  F         7.3248295440       22.5146701623       10.4081109456
  C         8.6820155941       23.5852058083       15.9563586813
  F         9.6016915661       24.4690007979       15.4764229207
  F         7.6876710253       24.3577960240       16.5044678967
  F         9.2705516997       22.8896395454       17.0027906915
  C         4.5426676901       19.2824543236       13.4804349219
  C         4.0529095937       17.9794917554       13.2695699918
  C         3.0835819801       17.6954188302       12.2962350027
  C         2.5597877241       18.7114130723       11.4960322140
  C         3.0184547263       20.0179184892       11.7025002607
  C         3.9797738459       20.2953659522       12.6779233610
  C         2.3989767082       21.1146970260       10.8862966890
  F         2.3721018753       20.7827300125        9.5418339088
  F         1.0899648739       21.3346689809       11.2599934112
  F         3.0364299878       22.3172660710       10.9978168343
  C         2.5089277166       16.3089627361       12.1877831657
  F         1.9323895906       16.0520069963       10.9844758808
  F         3.4284791923       15.3142068024       12.3964484990
  F         1.5224466442       16.1210366741       13.1305264789
  H         4.4384682674       17.9895997626       16.6731162384
  H         4.6021435139       22.1372398588       15.5576807454
  H         2.3083937773       20.9300738258       18.9889195001
  H         6.9854303997       18.9502598332       17.0355247767
  H         9.3773757209       15.6454016496       15.6740974793
  H         6.6635271376       17.5985278237       12.9655955125
  H         6.9102737885       21.6146763669       16.2734354539
  H         9.3173355265       23.5801375118       13.2952283858
  H         6.6822756236       20.3771859282       12.1616747159
  H         4.4309418802       17.1602904166       13.8798615574
  H         1.8077654859       18.4928494348       10.7421507895
  H         4.2991254055       21.3269952445       12.8146702419
  F        15.6181722599        1.2755760264       -0.2930131164
  C        15.6622616564        1.6683097730        1.0287166390
  F        16.9915884570        1.8962361260        1.3186462270
  F        15.0494677440        2.8841545122        1.1009862715
  C        15.0737910149        0.6116716988        1.9260151569
  C        14.2283785640        0.9242855216        2.9972026467
  C        13.7330971607       -0.0713878402        3.8680468780
  C        14.1745044400       -1.3833930612        3.6340700809
  C        15.0056554223       -1.7035407906        2.5565869619
  C        15.4576145634       -0.7136975968        1.6834133327
  C        15.4680475313       -3.1193524785        2.3838044904
  F        16.0486596435       -3.3177889848        1.1715476708
  F        14.4479585030       -4.0415070985        2.4966417178
  F        16.4093202602       -3.4513825126        3.3549197867
  B        12.7881618241        0.2695644966        5.1607085729
  C        11.7360771101        1.4807675744        4.8474194143
  C        11.1260421330        1.5929222156        3.5827492981
  C        10.1463808535        2.5537818669        3.3198418301
  C         9.7320446470        3.4537712874        4.3065706436
  C        10.3176766595        3.3516083407        5.5659787389
  C        11.2910833553        2.3780946883        5.8325137360
  C         9.9546828209        4.3107999345        6.6597748295
  F        11.0915264758        4.8775221311        7.1881914256
  F         9.1363345877        5.3316743482        6.2381084971
  F         9.3073624340        3.6817441042        7.6994759408
  C         9.6234458152        2.7190995447        1.9287150116
  F         9.4969915062        1.5334909680        1.2494073378
  F         8.4029203283        3.3408865644        1.9038112811
  F        10.4693582554        3.4753706034        1.1640824381
  C        11.7880640014       -0.9662697701        5.5527338075
  C        11.2490518708       -1.8431626541        4.5934854322
  C        10.2926266902       -2.8084076725        4.9274212094
  C         9.8230544715       -2.9371067765        6.2375500279
  C        10.3412035492       -2.0713603816        7.1993055469
  C        11.3005299588       -1.1089958063        6.8632086295
  C         9.9455987236       -2.1879311640        8.6398671052
  F         9.5857026675       -0.9741422164        9.1688408089
  F         8.9073350592       -3.0503490926        8.8703805434
  F        11.0138090139       -2.6145017311        9.3930405099
  C         9.7517791718       -3.6988405722        3.8498199885
  F         8.8176925170       -4.5677582978        4.3253021994
  F        10.7197765787       -4.4528916769        3.2284434726
  F         9.1412991337       -2.9678307539        2.8545378109
  C        13.8521534696        0.6108649132        6.3579162386
  C        14.3430577887        1.9094415429        6.5689821711
  C        15.3244551820        2.1851455803        7.5301489010
  C        15.8667657249        1.1719033206        8.3172438467
  C        15.4106565962       -0.1332846214        8.1040291467
  C        14.4291991939       -0.4063832899        7.1460453876
  C        16.0230962107       -1.2293868919        8.9235328916
  F        16.0414002310       -0.8760837574       10.2629022812
  F        17.3295386233       -1.4917570586        8.5810872777
  F        15.3722411076       -2.4176434163        8.8049961153
  C        15.8732905533        3.5765444071        7.6222380527
  F        16.4781755744        3.8580177429        8.8110956929
  F        14.9130779193        4.5289840474        7.4084149957
  F        16.8291283338        3.7875461358        6.6602609153
  H        13.9512003484        1.9649019738        3.1604163585
  H        13.8617452391       -2.1820078956        4.3056242132
  H        16.1039414973       -0.9642434863        0.8467591104
  H        11.4220067985        0.9158500582        2.7824084156
  H         8.9914999437        4.2185179249        4.0926120047
  H        11.7160309430        2.3313434807        6.8341698110
  H        11.5775455488       -1.7764269776        3.5569754004
  H         9.0888675242       -3.6910258391        6.5021636750
  H        11.6743206057       -0.4516180789        7.6470019641
  H        13.9585486940        2.7335055603        5.9701505688
  H        16.6241269032        1.3909055669        9.0655885104
  H        14.1075779034       -1.4376823771        7.0098367056
  H        10.8027288895       11.7726702794        4.7368370121
  H        11.6030260449       10.0607305666        3.1322522976
     646
 i =      119, E =         0.0005572800
 Rh         3.6437055044        0.2393817527        4.8203995995
  P         5.3886991530        0.6384084574        6.2868023847
  C         5.2296948014       -0.3041326337        7.8720278353
  C         4.8355708555       -1.7788830033        7.6637791506
  C         4.5351405060       -2.4387539290        9.0201043193
  C         5.7200514553       -2.3174767197        9.9889377522
  C         6.1865115199       -0.8621532641       10.1418861552
  C         6.4621375596       -0.1951737558        8.7834695293
  C         5.6700318228        2.4058124967        6.8061646599
  C         4.6380678515        2.8209395636        7.8788923527
  C         4.6262606116        4.3309520582        8.1691499155
  C         4.5420350308        5.1628619740        6.8866573064
  C         5.6962824398        4.8032923674        5.9487494359
  C         5.6282135978        3.3201033898        5.5627391455
  C         7.0011687643        0.0935657140        5.5203434013
  C         6.9734281341        0.2303507310        3.9891659023
  P         5.3103663594       -0.2370205706        3.2929956297
  C         5.4673177908       -2.0240681113        2.7897486435
  C         4.3785838607       -2.4023237712        1.7656395156
  C         4.3811221240       -3.9032971982        1.4566858653
  C         4.2446205184       -4.7459539519        2.7267558564
  C         5.3780200546       -4.4239313173        3.7053540365
  C         5.4116460019       -2.9243685932        4.0455271270
  C         5.1291522791        0.7041330164        1.7086696506
  C         4.8498533830        2.2043095272        1.9243005119
  C         4.4307142677        2.8419929762        0.5888581021
  C         5.4978000201        2.6399105431       -0.4985836951
  C         5.8966378671        1.1623256612       -0.6483564097
  C         6.2752818351        0.5198809062        0.6994211917
  C         1.8836450377        0.3166233888        3.4711624271
  C         1.9092592578       -0.9334239666        4.0958762476
  C         1.0758003264       -0.8034817249        5.3848959667
  C         1.9441372296        0.1278917120        6.2576771352
  C         1.9170517087        1.3775655377        5.6370570408
  C         1.0324184255        1.2291911662        4.3824651413
  C        -0.0080200797        0.1993312284        4.9025408794
  H         4.3819078435        0.1937282014        8.3714072722
  H         5.6550042567       -2.3178851623        7.1649227055
  H         3.9635300994       -1.8487833313        6.9961264711
  H         4.2677535898       -3.4949748269        8.8741710329
  H         3.6504313646       -1.9544987710        9.4587363768
  H         5.4431608787       -2.7283490282       10.9707336149
  H         6.5552903175       -2.9314931054        9.6256090134
  H         7.0953434815       -0.8121759061       10.7597064438
  H         5.4086282404       -0.2862134021       10.6674914854
  H         6.7580210008        0.8514457582        8.9329185904
  H         7.3124349149       -0.6911609745        8.2977779043
  H         6.6801309522        2.4592207209        7.2439360918
  H         4.8392451302        2.2792097784        8.8128993218
  H         3.6333948932        2.5113516619        7.5586125801
  H         5.5388306925        4.6096843115        8.7152404867
  H         3.7834318387        4.5564350524        8.8385015404
  H         4.5500569356        6.2335321165        7.1336147230
  H         3.5866032979        4.9757962660        6.3742290255
  H         6.6528596323        5.0150288786        6.4460097937
  H         5.6768750232        5.4167268481        5.0386488245
  H         6.4522706353        3.0673513396        4.8793265217
  H         4.6955539176        3.1296220685        5.0066732327
  H         7.8391905462        0.6559671909        5.9566578442
  H         7.1405523275       -0.9581074314        5.8087484411
  H         7.7661974168       -0.3680063935        3.5173544237
  H         7.1431977455        1.2756264693        3.6949053733
  H         6.4539843468       -2.1413916046        2.3126486918
  H         4.5150649707       -1.8362057545        0.8342695126
  H         3.3890830019       -2.1188827709        2.1484972608
  H         5.3179767708       -4.1654705377        0.9441947622
  H         3.5661020776       -4.1249305220        0.7560830278
  H         4.2403109910       -5.8139109075        2.4687223241
  H         3.2725324627       -4.5476241422        3.2024272486
  H         5.2633330839       -4.9951688699        4.6389069551
  H         6.3399112148       -4.7280784610        3.2673977053
  H         6.2723100274       -2.7142900499        4.6966692913
  H         4.5130860899       -2.6607690971        4.6266994809
  H         4.2153032413        0.2655657525        1.2737589583
  H         5.7559665307        2.7014140031        2.3020942329
  H         4.0697924435        2.3456102489        2.6881105812
  H         4.2272360675        3.9129345581        0.7285471919
  H         3.4825338110        2.3874637178        0.2643118554
  H         6.3887651524        3.2350591780       -0.2504760622
  H         5.1278585092        3.0275315648       -1.4592450184
  H         6.7388189005        1.0662337784       -1.3495352498
  H         5.0557923552        0.5999182440       -1.0850213389
  H         7.1814588488        0.9983650456        1.0921094822
  H         6.5182246369       -0.5406972029        0.5550841931
  H         2.1192268040        0.5339634169        2.4330966271
  H         2.1768705613       -1.8868549184        3.6504017945
  H         0.7582245641       -1.7412569304        5.8469912998
  H         2.2356198953       -0.0896578717        7.2812398315
  H         2.1933200221        2.3329144741        6.0735486645
  H         0.6724734743        2.1593808604        3.9357974164
  H        -0.6286175662        0.5870715071        5.7167600531
  H        -0.6382076969       -0.2088322314        4.1054902205
 Rh        14.7186253125       19.6365413005       14.9748552168
  P        12.9563592064       19.2068451519       13.5262296549
  C        13.1303098405       20.1894519385       11.9619955075
  C        13.5065616025       21.6620583532       12.2124848372
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 Rh        12.6600541633        9.8035163449        4.6973936743
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  C         5.1526571622        9.4834323871        3.7693654881
  C         5.7288544847       10.4818421111        2.9530311873
  B         4.2389546304        9.8968685439        5.0752264713
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  C         2.5824570097        7.8551680995        4.6587938089
  C         1.6566793640        6.8803745694        5.0595187871
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  C         1.5834538775        7.5060759980        8.7976978479
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  F         2.6867514632        7.1597022943        9.5334464883
  F         1.1755869294        8.7168621089        9.3107800306
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  F         0.1938413019        5.0742458675        4.3300745953
  F         0.6516379625        6.7257135294        2.9278498729
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  C         6.8579130499        9.3850218485        7.9419583977
  C         7.3137632410       10.6702601575        8.2508434016
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  F         6.3556847407       14.0814308882        7.4845988646
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  F         7.4255677650        7.0996034895        7.7768105552
  F         6.2866974005        7.7319448171        9.5346936715
  C         3.2279171203       11.1375632367        4.7886588112
  C         2.6279377973       11.2863234317        3.5299916662
  C         1.6672366436       12.2674062976        3.2883245729
  C         1.2738210426       13.1664434290        4.2799404344
  C         1.8557131825       13.0311648276        5.5384213591
  C         2.7993794917       12.0250693384        5.7924953326
  C         1.1062146938       12.3799107170        1.9154575431
  F         1.0156056717       11.1552021669        1.3117798314
  F         1.8934331778       13.1556626696        1.0973168339
  F        -0.1573892778       12.9028439888        1.9036489636
  C         6.8216857478        6.4134009766        2.2177775024
  F         7.6154051924        6.2389957242        1.1138720103
  F         7.4985757866        5.8847636855        3.2979110625
  F         5.7122599365        5.6252671771        2.0530930813
  F         0.7126793795       15.0293541275        6.2355890897
  F         0.8947998708       13.3791068134        7.6962004290
  F         2.6779289571       14.5683163122        7.1196442900
  C         1.5259220252       13.9965420821        6.6377937152
  H         7.7066205242        8.6069595616        0.8803913817
  H         5.1267447024        7.3436944446        4.0790014927
  H         5.4696102140       11.5259582231        3.1235028824
  H         2.8181076170        7.9370805862        3.5973857070
  H         0.5899054274        5.9721433995        6.7135951541
  H         3.2833805883        9.1937720945        7.6784485990
  H         5.5820136354        8.1725073112        6.7254396352
  H         8.0451374075       10.8353639569        9.0350993928
  H         5.4813107245       12.3845532910        5.9375785644
  H         2.9070953261       10.6142152469        2.7204303160
  H         0.5491936927       13.9479661159        4.0739833308
  H         3.2115688394       11.9413191914        6.7973250834
  F         9.9828681184        8.3887639620       18.4854401194
  C        11.2758455204        8.6561973160       18.8870959884
  F        11.9351994088        7.4693889293       18.8444831627
  F        11.2165915915        9.0174297953       20.2227033846
  C        11.8824856849        9.7249129823       18.0215537680
  C        11.4368356455       11.0392531538       18.2004571925
  C        11.8881540963       12.0128261698       17.3094705929
  C        12.7689220726       11.6836506147       16.2704232599
  C        13.2442832500       10.3744038632       16.0780707708
  C        12.7655158128        9.4029495884       16.9829119328
  B        14.1555774342        9.9822223785       14.7699508612
  C        15.1608070568       11.1874693899       14.3003552011
  C        15.7640897164       12.0562256750       15.2250962008
  C        16.7016581791       13.0214387839       14.8371225144
  C        17.0862576331       13.1517283464       13.4976937637
  C        16.5060238570       12.2875803040       12.5611241372
  C        15.5673972156       11.3288069063       12.9598577040
  C        16.8419081037       12.3976116424       11.0969584547
  F        17.8574694043       13.2701233573       10.8525742188
  F        15.7544234623       12.8159872418       10.3460381315
  F        17.2355110127       11.1908739555       10.5613558167
  C        17.2389188824       13.9424788481       15.8968453989
  F        16.2460909698       14.6727267061       16.4976143723
  F        18.1483314345       14.8385877601       15.4057842838
  F        17.8386183060       13.2541646155       16.9336579766
  C        13.0494944582        9.6452208042       13.5982414572
  C        12.4468043934       10.6744295668       12.8458825319
  C        11.4652980062       10.4124876109       11.8802839569
  C        11.0414156523        9.1072565120       11.6302021426
  C        11.6019064216        8.0756401577       12.3850074227
  C        12.5780195978        8.3406833732       13.3514777939
  C        11.0273271914        6.6993804353       12.2313048481
  F        10.4972579260        6.4947670984       10.9942845340
  F        11.9227754784        5.6912650593       12.4653117008
  F        10.0062474113        6.4974550555       13.1313537886
  C        10.9014033890       11.5267942874       11.0442599835
  F         9.7391112094       11.1773763590       10.4113869897
  F        10.6238826990       12.6602430605       11.7442852067
  F        11.7672468231       11.8874370720       10.0448069533
  C        15.1924491531        8.7418081367       15.0503472923
  C        15.8569479498        8.5672185320       16.2867017826
  C        16.8096598186        7.5587062945       16.4642258339
  C        17.1155700614        6.6686892986       15.4311378950
  C        16.4821228595        6.8323556047       14.2068706687
  C        15.5593981341        7.8659395330       14.0131489189
  C        17.4841715601        7.2669104879       17.7704020715
  F        17.6134893776        8.3288745450       18.6222207198
  F        16.7937700797        6.3145735361       18.4807168634
  F        18.7591580751        6.7893467664       17.5408840686
  C        11.3918048676       13.4255271257       17.4302940331
  F        10.7857867386       13.6683472639       18.6260020110
  F        10.4812819816       13.7339583616       16.4319558584
  F        12.4023293441       14.3403772868       17.3058265108
  F        17.6304167002        4.8717750861       13.4873643336
  F        17.3765715915        6.5266145911       12.0283669844
  F        15.6570872313        5.2688548288       12.6115192566
  C        16.7877695218        5.8815504262       13.0906921569
  H        10.7437865093       11.2946376933       18.9972116092
  H        13.0878455839       12.4722693045       15.5901384461
  H        13.0752729172        8.3664040244       16.8646841628
  H        15.4947187723       11.9865628486       16.2779007100
  H        17.7985862970       13.9124314584       13.1929977487
  H        15.1376103641       10.6776448232       12.2001176362
  H        12.7468372472       11.7081114693       13.0160241871
  H        10.2767893882        8.8996046629       10.8884644192
  H        12.9762393243        7.5080729127       13.9294100449
  H        15.6296925020        9.2311311064       17.1203855158
  H        17.8256330759        5.8637767441       15.5854641883
  H        15.1122034727        7.9819696870       13.0277531311
  F         2.7320854912       18.6338399853       20.1002095436
  C         2.7317996898       18.2906290211       18.7685937956
  F         1.4078614997       18.0793880858       18.4733106258
  F         3.3597349164       17.0876886267       18.6310759312
  C         3.3409327836       19.3556742332       17.9115343944
  C         4.1828306533       19.0334349090       16.8415458228
  C         4.6933535905       20.0197573412       15.9731743654
  C         4.2755164883       21.3384480040       16.2228240282
  C         3.4393742701       21.6640406956       17.2990130633
  C         2.9678588639       20.6788205746       18.1624422955
  C         2.9235867760       23.0647005544       17.4349063234
  F         2.2997078384       23.2919085078       18.6243651053
  F         3.9023632243       24.0238691267       17.3052002268
  F         1.9924640646       23.2934839786       16.4316687455
  B         5.6121658896       19.6380583749       14.6715914921
  C         6.6512565813       18.4128537821       14.9693995605
  C         7.2683951809       18.2798059382       16.2255154303
  C         8.2431081548       17.3086634338       16.4685393478
  C         8.6426628513       16.4180772294       15.4716441284
  C         8.0499871356       16.5424841078       14.2156893116
  C         7.0863396938       17.5280567872       13.9668167047
  C         8.4235790091       15.5965741590       13.1144669221
  F         7.3129098364       15.0304039565       12.5392417712
  F         9.2158098139       14.5689328383       13.5620484010
  F         9.1081697001       16.2276952043       12.1007556452
  C         8.7835758532       17.1550918797       17.8520924807
  F         8.9100449902       18.3673700207       18.4839319673
  F        10.0143470503       16.5640120892       17.8927974412
  F         7.9539351323       16.3794104668       18.6302543795
  C         6.6321910744       20.8515912878       14.2675385831
  C         7.2116812807       21.6995780209       15.2301798736
  C         8.1643569616       22.6664402723       14.8893269074
  C         8.5926778778       22.8193989314       13.5672148282
  C         8.0399095266       21.9750297171       12.6041098361
  C         7.0851467072       21.0131958817       12.9481580646
  C         8.4042053332       22.1124668097       11.1580846676
  F         8.8235378633       20.9057337175       10.6312502820
  F         9.3803945437       23.0322145918       10.9269184160
  F         7.3247605204       22.5146911237       10.4081585928
  C         8.6820530075       23.5851848109       15.9563647150
  F         9.6016394633       24.4689640888       15.4764741397
  F         7.6876500201       24.3577988737       16.5045088208
  F         9.2705017427       22.8896544764       17.0027883577
  C         4.5425169535       19.2824153899       13.4802942491
  C         4.0528979649       17.9794466066       13.2696268411
  C         3.0836801321       17.6953519127       12.2964207626
  C         2.5598188375       18.7114103243       11.4961620363
  C         3.0184827364       20.0180627826       11.7025962489
  C         3.9797771322       20.2954147707       12.6780231851
  C         2.3990687882       21.1148797178       10.8864666645
  F         2.3719319871       20.7825833352        9.5416594611
  F         1.0899530305       21.3346321733       11.2601318029
  F         3.0363172181       22.3170756710       10.9980124163
  C         2.5089220113       16.3090485713       12.1876432535
  F         1.9323317770       16.0519738360       10.9844604880
  F         3.4285562194       15.3141177291       12.3965597366
  F         1.5223291197       16.1209843354       13.1307026204
  H         4.4386556467       17.9884824677       16.6729503173
  H         4.6022857207       22.1367948163       15.5582751953
  H         2.3082478738       20.9298075475       18.9884368034
  H         6.9852548406       18.9500024821       17.0356069526
  H         9.3777585700       15.6455222560       15.6740197965
  H         6.6633107819       17.5982604312       12.9657933310
  H         6.9105583983       21.6143654771       16.2734174935
  H         9.3170265169       23.5803069991       13.2951816705
  H         6.6822770726       20.3769860312       12.1616192269
  H         4.4308676605       17.1603135603       13.8797966400
  H         1.8075116592       18.4928342786       10.7421183109
  H         4.2990283314       21.3268768483       12.8147173325
  F        15.6188751588        1.2747905877       -0.2928777438
  C        15.6621482138        1.6683844361        1.0284350660
  F        16.9914378304        1.8962049172        1.3186464714
  F        15.0495203096        2.8843685983        1.1018324781
  C        15.0739685417        0.6118538632        1.9258881041
  C        14.2281759132        0.9242120033        2.9970214975
  C        13.7326862014       -0.0713333856        3.8680542896
  C        14.1742425419       -1.3834126923        3.6338073779
  C        15.0057480331       -1.7037963923        2.5564590042
  C        15.4578770658       -0.7136587417        1.6835155877
  C        15.4681662934       -3.1195356352        2.3839716615
  F        16.0486209468       -3.3176812353        1.1714930385
  F        14.4479675539       -4.0413808769        2.4965825563
  F        16.4091791474       -3.4511656033        3.3547927390
  B        12.7883078082        0.2696361878        5.1606202525
  C        11.7359652321        1.4809715839        4.8471853409
  C        11.1261296883        1.5930752083        3.5826852905
  C        10.1464182855        2.5540278946        3.3202336522
  C         9.7319221847        3.4540204993        4.3064772768
  C        10.3177103428        3.3514963945        5.5655171158
  C        11.2911365956        2.3781503270        5.8323406967
  C         9.9534017806        4.3103744156        6.6595613363
  F        11.0928947693        4.8786568766        7.1891229362
  F         9.1364825726        5.3316456146        6.2380463591
  F         9.3074524624        3.6816890243        7.6991834679
  C         9.6234449912        2.7191073139        1.9285834445
  F         9.4967807582        1.5336324958        1.2493744571
  F         8.4028795477        3.3407301706        1.9036856980
  F        10.4693555834        3.4754286355        1.1639953917
  C        11.7878398009       -0.9661142239        5.5525536923
  C        11.2487033499       -1.8429118211        4.5933275518
  C        10.2925369652       -2.8083223163        4.9273516419
  C         9.8231268971       -2.9371580567        6.2375500305
  C        10.3411673343       -2.0713499625        7.1993496552
  C        11.3003910577       -1.1089146530        6.8631387757
  C         9.9456005131       -2.1879117911        8.6398377345
  F         9.5858100523       -0.9740770364        9.1688164336
  F         8.9073263029       -3.0504170457        8.8703224768
  F        11.0138566967       -2.6144850504        9.3930334935
  C         9.7517764932       -3.6987699493        3.8497996357
  F         8.8176399894       -4.5678264759        4.3253188681
  F        10.7197789015       -4.4528985585        3.2284419515
  F         9.1413024441       -2.9678370142        2.8545217217
  C        13.8516509439        0.6103256939        6.3573411433
  C        14.3431180460        1.9094003616        6.5688525859
  C        15.3250083579        2.1862183455        7.5300874966
  C        15.8666731821        1.1720227164        8.3166248463
  C        15.4106839165       -0.1338501194        8.1039714205
  C        14.4291015444       -0.4066013162        7.1459901440
  C        16.0231797250       -1.2294153948        8.9234828748
  F        16.0413832627       -0.8759941680       10.2628571048
  F        17.3294471854       -1.4916237923        8.5810013414
  F        15.3721533810       -2.4175906843        8.8048815771
  C        15.8737158106        3.5759207551        7.6242017283
  F        16.4764418206        3.8576647465        8.8088702192
  F        14.9137486621        4.5290653444        7.4083227663
  F        16.8291644159        3.7881621997        6.6599914895
  H        13.9508473683        1.9648373634        3.1600880817
  H        13.8611953776       -2.1821696910        4.3052114000
  H        16.1045422391       -0.9641535012        0.8471340781
  H        11.4220898719        0.9160381978        2.7822051296
  H         8.9917341378        4.2184868732        4.0926538824
  H        11.7161577816        2.3313436200        6.8341722313
  H        11.5769015956       -1.7759480943        3.5568069590
  H         9.0890759396       -3.6912366941        6.5022268505
  H        11.6742262957       -0.4514720763        7.6469144311
  H        13.9585012684        2.7335571161        5.9698069818
  H        16.6246775478        1.3909185452        9.0651916315
  H        14.1073968736       -1.4374042447        7.0099095629
  H        10.8025703525       11.7729355278        4.7356192755
  H        11.6025853658       10.0601348833        3.1319997858
     646
 i =      120, E =         0.0043226178
 Rh         3.6439522641        0.2394842306        4.8204985556
  P         5.3888379194        0.6384233535        6.2869539027
  C         5.2297363540       -0.3044776974        7.8720352863
  C         4.8359479144       -1.7792662316        7.6634890715
  C         4.5351222583       -2.4392174013        9.0196981491
  C         5.7199640321       -2.3182013221        9.9886276951
  C         6.1863782799       -0.8628995763       10.1419118286
  C         6.4619666493       -0.1954757583        8.7836907682
  C         5.6699804888        2.4058418890        6.8064247472
  C         4.6377456000        2.8211453739        7.8787957917
  C         4.6269166499        4.3310793300        8.1692990146
  C         4.5423107523        5.1630971082        6.8869193107
  C         5.6959614074        4.8033516600        5.9483081506
  C         5.6283778832        3.3199813285        5.5628552211
  C         7.0013291622        0.0937145860        5.5204730543
  C         6.9736357233        0.2304751163        3.9892652356
  P         5.3105420870       -0.2370314560        3.2931598890
  C         5.4679364114       -2.0240432549        2.7899755538
  C         4.3795095103       -2.4022899135        1.7654903205
  C         4.3813428067       -3.9033969971        1.4570565540
  C         4.2448892693       -4.7457629208        2.7273323958
  C         5.3786252160       -4.4237991500        3.7055556551
  C         5.4120825726       -2.9242661103        4.0457798185
  C         5.1286590834        0.7039268389        1.7087532884
  C         4.8491561451        2.2040356082        1.9244600503
  C         4.4306501412        2.8420995919        0.5889642515
  C         5.4982326762        2.6401826588       -0.4979947365
  C         5.8963020926        1.1624646097       -0.6482855374
  C         6.2745585609        0.5194069301        0.6993124595
  C         1.8838892285        0.3166884736        3.4712009770
  C         1.9094429982       -0.9332314458        4.0961148778
  C         1.0760218635       -0.8029387721        5.3852182031
  C         1.9444675313        0.1285270838        6.2577785080
  C         1.9174519767        1.3781017881        5.6368002307
  C         1.0328043301        1.2295359317        4.3823714216
  C        -0.0077298862        0.1998743713        4.9026695280
  H         4.3817336353        0.1931304124        8.3713084276
  H         5.6557236671       -2.3181303192        7.1650216388
  H         3.9642015168       -1.8493700063        6.9954304387
  H         4.2675270270       -3.4953788080        8.8736673688
  H         3.6504477680       -1.9548026553        9.4582409642
  H         5.4430558195       -2.7293020100       10.9703232868
  H         6.5551966242       -2.9321479887        9.6251680946
  H         7.0952364005       -0.8130483835       10.7597380542
  H         5.4084801364       -0.2871532715       10.6677185344
  H         6.7575709603        0.8511788098        8.9334832957
  H         7.3124668772       -0.6911096292        8.2979732792
  H         6.6799345830        2.4593218629        7.2445182589
  H         4.8380714551        2.2789895178        8.8127329607
  H         3.6330226935        2.5123713680        7.5579031775
  H         5.5399877632        4.6092351406        8.7148708643
  H         3.7846234153        4.5569963681        8.8391775132
  H         4.5507923309        6.2337264476        7.1338891627
  H         3.5865147689        4.9763371521        6.3750279928
  H         6.6528534555        5.0158409714        6.4446632609
  H         5.6754997601        5.4163028931        5.0378762576
  H         6.4527550473        3.0673244757        4.8797994739
  H         4.6959765427        3.1290793157        5.0064911155
  H         7.8393598172        0.6561049646        5.9568126721
  H         7.1407240418       -0.9579621634        5.8088593223
  H         7.7663536074       -0.3680107189        3.5175537652
  H         7.1435439003        1.2757202974        3.6949471380
  H         6.4547657334       -2.1412161001        2.3132271990
  H         4.5169098076       -1.8367092265        0.8339628941
  H         3.3899746842       -2.1180432118        2.1476476195
  H         5.3179244101       -4.1661187409        0.9443604447
  H         3.5660176355       -4.1248480975        0.7567306006
  H         4.2402661030       -5.8137583798        2.4694709329
  H         3.2730056050       -4.5471125957        3.2032536720
  H         5.2643664950       -4.9951442880        4.6391034618
  H         6.3404029766       -4.7277547280        3.2672150353
  H         6.2726319418       -2.7140818047        4.6970700340
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 Rh         5.9599208507       10.0613097778       14.9864690452
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  H        11.6150469761        7.4013042153        5.4076366515
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  F         7.3490815472       10.8244127846       -0.2354727218
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  C         5.7291218611       10.4819126096        2.9532345520
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  C         2.5825676564        7.8549232871        4.6586784833
  C         1.6566176108        6.8800818444        5.0592141065
  C         1.2933109068        6.7376045693        6.3999996389
  C         1.8900326359        7.6040421191        7.3250450065
  C         2.8309738883        8.5591066106        6.9182088434
  C         1.5839115976        7.5064905212        8.7966177791
  F         0.6296725798        6.5790930405        9.0907685273
  F         2.6871024107        7.1595394145        9.5338906494
  F         1.1753313154        8.7173066911        9.3111634119
  C         1.1553877455        5.9764518897        3.9696459092
  F         2.1805417898        5.2393890096        3.4409284220
  F         0.1937936811        5.0742104304        4.3300650216
  F         0.6516057661        6.7257449557        2.9277681206
  C         5.3456942101       10.2455845940        6.2167231351
  C         5.9040546827        9.1891756148        6.9425605182
  C         6.8579301171        9.3851587996        7.9421847791
  C         7.3138820177       10.6703127718        8.2509112023
  C         6.8168311593       11.7406045713        7.4913262443
  C         5.8539317244       11.5262582797        6.4940251618
  C         7.3337206157       13.1424751642        7.6992963416
  F         7.8475895072       13.3448652657        8.9471517405
  F         6.3558244552       14.0814945133        7.4846533289
  F         8.3395863137       13.4811442164        6.8172203817
  C         7.2734547085        8.1349384600        8.6607138401
  F         8.4342589114        8.2299653851        9.3837613850
  F         7.4255688875        7.0996019722        7.7768391625
  F         6.2867287700        7.7318892283        9.5346949235
  C         3.2280713538       11.1378999113        4.7887216324
  C         2.6280901209       11.2864900756        3.5299945041
  C         1.6671935545       12.2673705778        3.2882381419
  C         1.2736296472       13.1662912175        4.2800698950
  C         1.8558536283       13.0311196012        5.5384851815
  C         2.7997209499       12.0253328355        5.7924473714
  C         1.1061374079       12.3799327687        1.9153685905
  F         1.0156480712       11.1551233927        1.3118552315
  F         1.8935073995       13.1557093824        1.0973911588
  F        -0.1573884837       12.9028692052        1.9038444863
  C         6.8216670575        6.4133877676        2.2177637770
  F         7.6154001549        6.2390231813        1.1138771464
  F         7.4985676244        5.8847818205        3.2979289443
  F         5.7122622893        5.6252844733        2.0531355790
  F         0.7126390626       15.0293962953        6.2357281702
  F         0.8948449084       13.3791818314        7.6961858155
  F         2.6778700491       14.5682699282        7.1196832301
  C         1.5259146419       13.9965333467        6.6377138876
  H         7.7055372710        8.6068433748        0.8795280150
  H         5.1275056242        7.3438283675        4.0797434173
  H         5.4701246447       11.5260663787        3.1239096541
  H         2.8186227293        7.9367404954        3.5974298466
  H         0.5899312481        5.9720591853        6.7135651295
  H         3.2826961008        9.1943705212        7.6782674725
  H         5.5813052648        8.1725020334        6.7261452108
  H         8.0452419106       10.8353524783        9.0350000454
  H         5.4817754151       12.3844536267        5.9372886488
  H         2.9073473982       10.6143690046        2.7202728652
  H         0.5486313864       13.9476089630        4.0741238465
  H         3.2120945715       11.9418872774        6.7969785531
  F         9.9828349234        8.3887563129       18.4853689673
  C        11.2758241771        8.6562369091       18.8872525488
  F        11.9352145416        7.4694063973       18.8444667647
  F        11.2166509065        9.0173674630       20.2225834363
  C        11.8824598300        9.7248238149       18.0215530254
  C        11.4369990780       11.0392424752       18.2005682819
  C        11.8882356427       12.0128597281       17.3094791025
  C        12.7689507829       11.6836613260       16.2704430292
  C        13.2442013879       10.3744062195       16.0780265772
  C        12.7653159636        9.4028764707       16.9827110115
  B        14.1553007064        9.9823593496       14.7699068024
  C        15.1607381175       11.1874596993       14.3004704011
  C        15.7638824425       12.0563549577       15.2250931032
  C        16.7015479964       13.0214445899       14.8371281996
  C        17.0862446635       13.1516993968       13.4976798639
  C        16.5061268829       12.2875744031       12.5609890630
  C        15.5675292281       11.3287359029       12.9598838908
  C        16.8417614777       12.3976911928       11.0969128174
  F        17.8574471096       13.2700841177       10.8526813450
  F        15.7545356116       12.8159305663       10.3461770251
  F        17.2355526782       11.1907936518       10.5613619286
  C        17.2389240992       13.9425114500       15.8968555862
  F        16.2460436089       14.6727374545       16.4976161014
  F        18.1483447706       14.8386148033       15.4057527454
  F        17.8386171254       13.2541141424       16.9336534200
  C        13.0495172442        9.6454914892       13.5983967544
  C        12.4468615618       10.6744563218       12.8459351172
  C        11.4653932813       10.4122523002       11.8802902573
  C        11.0415126266        9.1070539699       11.6299088567
  C        11.6016137195        8.0755656671       12.3848075928
  C        12.5776126093        8.3408811632       13.3515755469
  C        11.0273698477        6.6994797224       12.2313209505
  F        10.4973145870        6.4948212449       10.9944180607
  F        11.9226931677        5.6913091532       12.4653001552
  F        10.0063056337        6.4974876968       13.1312548968
  C        10.9014110153       11.5271149802       11.0439784102
  F         9.7390262201       11.1771216460       10.4113655820
  F        10.6237150935       12.6603583772       11.7445632573
  F        11.7674499484       11.8870764111       10.0446610477
  C        15.1925645256        8.7413355451       15.0500586403
  C        15.8568977228        8.5671216315       16.2866977609
  C        16.8096947346        7.5587820084       16.4643715643
  C        17.1155667692        6.6689495497       15.4310109256
  C        16.4817302951        6.8327530618       14.2068622559
  C        15.5590921816        7.8658625525       14.0129294529
  C        17.4841603117        7.2669388239       17.7702463571
  F        17.6134774409        8.3287300772       18.6221374905
  F        16.7938652880        6.3146778567       18.4807304681
  F        18.7590216660        6.7894426212       17.5409224567
  C        11.3917823886       13.4255779779       17.4303483288
  F        10.7857667829       13.6683142255       18.6260394864
  F        10.4812684513       13.7338803291       16.4319299519
  F        12.4023837862       14.3403616582       17.3058216686
  F        17.6299972649        4.8714573477       13.4869855494
  F        17.3766087440        6.5265249060       12.0281393179
  F        15.6575474610        5.2682437169       12.6116526309
  C        16.7877978761        5.8817160287       13.0908541061
  H        10.7440782112       11.2946946621       18.9975518813
  H        13.0879054522       12.4722660825       15.5902718410
  H        13.0747688537        8.3662911144       16.8642922999
  H        15.4943613012       11.9868953670       16.2777281929
  H        17.7986046596       13.9123864436       13.1929643206
  H        15.1378397801       10.6773124157       12.2000928371
  H        12.7468294066       11.7080799153       13.0159607996
  H        10.2774257060        8.8995577368       10.8880822408
  H        12.9757531384        7.5080212755       13.9301174206
  H        15.6295277972        9.2311158655       17.1204981684
  H        17.8260790622        5.8638825006       15.5853639888
  H        15.1120290047        7.9816865990       13.0282037609
  F         2.7324806516       18.6350027322       20.1001787961
  C         2.7317939010       18.2900918405       18.7690347220
  F         1.4075083001       18.0798125027       18.4726029429
  F         3.3604964292       17.0877285764       18.6302437379
  C         3.3403238620       19.3554624306       17.9120532079
  C         4.1827078580       19.0337395518       16.8415736720
  C         4.6937920199       20.0201658444       15.9725909554
  C         4.2757721599       21.3385500084       16.2228321659
  C         3.4393966244       21.6641187137       17.2989024413
  C         2.9675655179       20.6789490245       18.1623206807
  C         2.9235354336       23.0648196136       17.4350684380
  F         2.2995242067       23.2917010787       18.6244830823
  F         3.9025094123       24.0238060541       17.3050223256
  F         1.9924017831       23.2934193888       16.4315148115
  B         5.6120070817       19.6379476581       14.6719217356
  C         6.6511344145       18.4126661145       14.9694857614
  C         7.2682126801       18.2796245605       16.2255945694
  C         8.2430917133       17.3086671782       16.4685772703
  C         8.6428210630       16.4182063990       15.4715954005
  C         8.0499614597       16.5424311449       14.2156550774
  C         7.0861562563       17.5278186791       13.9668815490
  C         8.4235903401       15.5965839636       13.1144520301
  F         7.3128885420       15.0303399601       12.5393508642
  F         9.2157669541       14.5689233379       13.5620518274
  F         9.1082130473       16.2277192631       12.1007906049
  C         8.7835902710       17.1550651648       17.8521036576
  F         8.9099860403       18.3673787041       18.4839279571
  F        10.0143957823       16.5639813427       17.8927987292
  F         7.9538996158       16.3794255727       18.6302589243
  C         6.6322611068       20.8513892053       14.2676435109
  C         7.2118811423       21.6993496238       15.2302582893
  C         8.1643630151       22.6663801559       14.8893465652
  C         8.5925125752       22.8194890364       13.5671986615
  C         8.0399278576       21.9750695342       12.6040531970
  C         7.0852274766       21.0130993607       12.9482051535
  C         8.4041828015       22.1124291360       11.1580888758
  F         8.8235295435       20.9057359899       10.6312819351
  F         9.3803657983       23.0322011705       10.9270259020
  F         7.3247156060       22.5147003378       10.4081746161
  C         8.6820497335       23.5851415316       15.9563835606
  F         9.6016304858       24.4689663160       15.4764816608
  F         7.6876428460       24.3577976327       16.5045244450
  F         9.2704824974       22.8896575273       17.0027973599
  C         4.5424179647       19.2823490616       13.4802724141
  C         4.0529102890       17.9794255972       13.2696988007
  C         3.0836965517       17.6953291613       12.2964936213
  C         2.5597893416       18.7114481874       11.4962426628
  C         3.0184812852       20.0181432890       11.7026791148
  C         3.9797202055       20.2954106485       12.6780756734
  C         2.3991050940       21.1148359523       10.8865335312
  F         2.3718510501       20.7825244616        9.5415988561
  F         1.0899055104       21.3346378345       11.2601997225
  F         3.0363332296       22.3170986100       10.9981267843
  C         2.5088861322       16.3089828159       12.1876370368
  F         1.9323081481       16.0519725669       10.9844543041
  F         3.4285419752       15.3141514483       12.3965875737
  F         1.5223585376       16.1210104812       13.1307029151
  H         4.4386820854       17.9879551146       16.6728583570
  H         4.6026164997       22.1365974484       15.5588130687
  H         2.3078150053       20.9296390491       18.9880396791
  H         6.9849896201       18.9496705255       17.0357288221
  H         9.3782061438       15.6457865386       15.6738822915
  H         6.6629744776       17.5978998219       12.9659725212
  H         6.9109319830       21.6139331573       16.2735153892
  H         9.3166063949       23.5805429621       13.2951233496
  H         6.6823348313       20.3767788496       12.1616164346
  H         4.4308014203       17.1603119641       13.8797483649
  H         1.8072991676       18.4928502856       10.7421890742
  H         4.2989546640       21.3268355000       12.8148111993
  F        15.6191938557        1.2744477108       -0.2928481925
  C        15.6621082047        1.6684321864        1.0283125955
  F        16.9913597471        1.8962302772        1.3186443936
  F        15.0495853954        2.8844409353        1.1022129974
  C        15.0740620279        0.6119188638        1.9258413835
  C        14.2279090326        0.9241445488        2.9967517504
  C        13.7323379062       -0.0713528272        3.8678199410
  C        14.1738595738       -1.3834642352        3.6334580869
  C        15.0057815582       -1.7038824864        2.5563497159
  C        15.4582341351       -0.7136107998        1.6836890974
  C        15.4682502235       -3.1196320238        2.3840456961
  F        16.0486187429       -3.3176348872        1.1714269801
  F        14.4479462578       -4.0413386159        2.4965551957
  F        16.4091107347       -3.4510638753        3.3547201208
  B        12.7881812862        0.2697123257        5.1603859191
  C        11.7360408615        1.4810964872        4.8470009244
  C        11.1261655735        1.5933314224        3.5825238084
  C        10.1464224119        2.5542364751        3.3201967733
  C         9.7319316528        3.4541794467        4.3063446412
  C        10.3177266747        3.3515931711        5.5653733960
  C        11.2912131867        2.3782367296        5.8322068748
  C         9.9532243714        4.3104122853        6.6596426309
  F        11.0930980652        4.8788379782        7.1891401705
  F         9.1365256175        5.3316016816        6.2379890847
  F         9.3073610178        3.6816021397        7.6990449923
  C         9.6235106410        2.7191622714        1.9286553228
  F         9.4966543846        1.5336891173        1.2493172545
  F         8.4028004823        3.3406572089        1.9035754575
  F        10.4693658295        3.4754918561        1.1638946853
  C        11.7875255291       -0.9658880195        5.5523594152
  C        11.2482333474       -1.8425346665        4.5931301105
  C        10.2923934167       -2.8082096858        4.9272949211
  C         9.8232125896       -2.9372461244        6.2375587616
  C        10.3411284135       -2.0713345551        7.1993351277
  C        11.3002316122       -1.1087711893        6.8630018243
  C         9.9455940241       -2.1879165106        8.6398396406
  F         9.5858734964       -0.9740401846        9.1687920344
  F         8.9073448745       -3.0504320456        8.8702713632
  F        11.0138752653       -2.6144667060        9.3930107628
  C         9.7517154334       -3.6987714693        3.8497712835
  F         8.8176487715       -4.5678304857        4.3252921634
  F        10.7197661572       -4.4528840462        3.2284505889
  F         9.1412984160       -2.9678347796        2.8544886569
  C        13.8515960893        0.6101891854        6.3570762833
  C        14.3432213671        1.9093410363        6.5686484455
  C        15.3251619830        2.1863527056        7.5298100563
  C        15.8668330073        1.1720864967        8.3160974016
  C        15.4106478684       -0.1339088705        8.1036750741
  C        14.4289196856       -0.4067240686        7.1458383739
  C        16.0232379957       -1.2295559110        8.9234758890
  F        16.0413823897       -0.8759213515       10.2628233711
  F        17.3294669584       -1.4915695328        8.5809512613
  F        15.3720997776       -2.4175934915        8.8048166977
  C        15.8735482133        3.5756203901        7.6241482896
  F        16.4763235966        3.8578374567        8.8086626659
  F        14.9141683740        4.5290216613        7.4083435917
  F        16.8291484507        3.7884096175        6.6599691831
  H        13.9503697542        1.9647164028        3.1596266414
  H        13.8604429074       -2.1823670895        4.3046122338
  H        16.1053854660       -0.9640323097        0.8476447915
  H        11.4221829022        0.9163423731        2.7819558170
  H         8.9918524522        4.2186457614        4.0926412076
  H        11.7162654600        2.3313734688        6.8340431547
  H        11.5760206020       -1.7752831391        3.5565348605
  H         9.0893770148       -3.6915228650        6.5023033402
  H        11.6740849156       -0.4512833400        7.6467738141
  H        13.9584763940        2.7335316206        5.9694001314
  H        16.6251944947        1.3908161664        9.0644189752
  H        14.1070689468       -1.4373104208        7.0099823032
  H        10.8022787135       11.7732400668        4.7338800132
  H        11.6020533938       10.0593026040        3.1316237692
     646
 i =      121, E =         0.0006505945
 Rh         3.6441262536        0.2395574294        4.8205647182
  P         5.3889166888        0.6384274057        6.2870907183
  C         5.2297694998       -0.3046890905        7.8719716012
  C         4.8362200749       -1.7795877468        7.6632793493
  C         4.5350956389       -2.4395544212        9.0193724879
  C         5.7199036816       -2.3187241486        9.9884040604
  C         6.1862654778       -0.8634237405       10.1419285690
  C         6.4618614903       -0.1956988830        8.7838961167
  C         5.6699319141        2.4058636714        6.8066155524
  C         4.6375163985        2.8212863902        7.8786915731
  C         4.6273817090        4.3311687905        8.1694542291
  C         4.5425328351        5.1633298698        6.8870823808
  C         5.6957485852        4.8034323621        5.9479625517
  C         5.6284919502        3.3198772967        5.5628960548
  C         7.0014559619        0.0937689397        5.5205857553
  C         6.9738122554        0.2305642092        3.9892976793
  P         5.3106592676       -0.2370117988        3.2932642450
  C         5.4684126151       -2.0240286341        2.7901273890
  C         4.3801621460       -2.4022073164        1.7653393458
  C         4.3814982383       -3.9035238804        1.4572771499
  C         4.2450849867       -4.7456274948        2.7277335421
  C         5.3790819120       -4.4237430283        3.7057372207
  C         5.4123956688       -2.9241787066        4.0459921076
  C         5.1283245903        0.7037502128        1.7088401895
  C         4.8486523895        2.2038965695        1.9246126626
  C         4.4305824438        2.8422100084        0.5890547892
  C         5.4985638595        2.6404089979       -0.4975915198
  C         5.8960804198        1.1625649621       -0.6482919326
  C         6.2741239164        0.5190100102        0.6992458425
  C         1.8840365081        0.3167870520        3.4712538689
  C         1.9095538136       -0.9331100031        4.0963329087
  C         1.0761638998       -0.8025683897        5.3853843777
  C         1.9447523217        0.1291068420        6.2578965558
  C         1.9177751935        1.3784282344        5.6367090544
  C         1.0330840197        1.2297115080        4.3822532229
  C        -0.0075154781        0.2002798495        4.9027508843
  H         4.3815928649        0.1927168470        8.3712491872
  H         5.6562193310       -2.3182846454        7.1650916713
  H         3.9646854853       -1.8497695429        6.9949317691
  H         4.2673683154       -3.4956614564        8.8732886251
  H         3.6504516822       -1.9550249709        9.4578784430
  H         5.4429701221       -2.7299911496       10.9700233606
  H         6.5551212307       -2.9326222297        9.6248453133
  H         7.0951547860       -0.8136823236       10.7597614379
  H         5.4083772329       -0.2878383223       10.6678752535
  H         6.7572392652        0.8509876967        8.9338925431
  H         7.3124919561       -0.6910705460        8.2981096414
  H         6.6798013647        2.4593945663        7.2449351328
  H         4.8372366952        2.2788293998        8.8126277794
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  H        15.6215498359       10.4010899405        8.8485081031
  H        10.0398587780       10.0772980663        2.4656009119
  H        11.2084384247        9.3909332372        7.1960049570
  H         9.0913392734       10.6658211485        6.4631725261
  H         8.0400364709        9.3710847378        4.3257956982
  H         8.5319044233        8.2002807309        5.5890147357
  H        10.0044779919        7.7685816863        3.3905483133
  H         9.1648613472       11.5937353681        4.0892676772
  H        11.6149961741        7.4019845779        5.4092094471
  F         8.5027028087       11.5985476212        1.4656149356
  C         7.2280400821       11.2412301458        1.0653938803
  F         6.4848676585       12.3777579348        1.0306503928
  F         7.3491723983       10.8245358042       -0.2354120635
  C         6.6277017838       10.1720205327        1.9272602662
  C         7.0037836878        8.8492313537        1.6722887531
  C         6.4461206505        7.8478681217        2.4603104810
  C         5.5390484341        8.1598006210        3.4866554887
  C         5.1532362614        9.4834748163        3.7696448079
  C         5.7293089710       10.4819534052        2.9533825854
  B         4.2388597012        9.8970375687        5.0754903805
  C         3.2180122611        8.7098923587        5.5721469863
  C         2.5828431611        7.8548783480        4.6580242451
  C         1.6567698366        6.8799916755        5.0585401614
  C         1.2937358969        6.7381447316        6.4002429659
  C         1.8896904779        7.6040435794        7.3264013011
  C         2.8302708482        8.5589014207        6.9184959971
  C         1.5843974682        7.5062270519        8.7939857291
  F         0.6292949413        6.5789410590        9.0914849264
  F         2.6875376891        7.1592605538        9.5347457241
  F         1.1745660963        8.7183379168        9.3124156601
  C         1.1552551375        5.9764709393        3.9694910783
  F         2.1804675178        5.2394789752        3.4409882439
  F         0.1939826446        5.0743474302        4.3299505395
  F         0.6518169000        6.7254714518        2.9281119026
  C         5.3457089741       10.2452820532        6.2169100240
  C         5.9037289391        9.1891185932        6.9427621639
  C         6.8577121503        9.3850213243        7.9421457084
  C         7.3139071391       10.6702328795        8.2509029540
  C         6.8169936379       11.7409482290        7.4913875146
  C         5.8541017092       11.5261715338        6.4940459476
  C         7.3338467237       13.1428091296        7.6992585571
  F         7.8475704112       13.3439417758        8.9474413071
  F         6.3555570216       14.0812475265        7.4844588842
  F         8.3395441813       13.4808784658        6.8170639859
  C         7.2736191402        8.1348078993        8.6606730708
  F         8.4342768821        8.2300112587        9.3838006523
  F         7.4255042388        7.0998464025        7.7769223620
  F         6.2866218049        7.7319338013        9.5347617782
  C         3.2283146318       11.1378075321        4.7883697597
  C         2.6282917444       11.2865301735        3.5300225910
  C         1.6672362321       12.2674778429        3.2885873671
  C         1.2733069517       13.1663555577        4.2800012497
  C         1.8555398985       13.0314159469        5.5381382205
  C         2.7998940519       12.0254596010        5.7920239981
  C         1.1060967899       12.3798101216        1.9153348309
  F         1.0155636358       11.1554014429        1.3117803978
  F         1.8933589202       13.1556147906        1.0972787348
  F        -0.1572792222       12.9027586953        1.9034737549
  C         6.8216578953        6.4133273091        2.2178438100
  F         7.6154088064        6.2389743357        1.1138558150
  F         7.4985312324        5.8848096559        3.2978184657
  F         5.7123414299        5.6253077211        2.0530408322
  F         0.7127714575       15.0292640665        6.2354042798
  F         0.8947892461       13.3790430219        7.6961464985
  F         2.6779861832       14.5683779616        7.1195983536
  C         1.5258781111       13.9966725761        6.6379285705
  H         7.7048198192        8.6067475086        0.8788638108
  H         5.1280798401        7.3439814389        4.0802200253
  H         5.4705074434       11.5261368775        3.1241797268
  H         2.8188359407        7.9364491715        3.5981575081
  H         0.5896768315        5.9717060458        6.7136781621
  H         3.2823568380        9.1949962651        7.6783818079
  H         5.5809359396        8.1728871093        6.7267284115
  H         8.0454733751       10.8354251796        9.0350718174
  H         5.4820604880       12.3845825663        5.9369906696
  H         2.9075240479       10.6145548223        2.7202981615
  H         0.5485420589       13.9470605055        4.0743540386
  H         3.2126992726       11.9422457022        6.7972621399
  F         9.9828736565        8.3887787982       18.4855473839
  C        11.2758863452        8.6561477068       18.8868097364
  F        11.9352052183        7.4693086620       18.8445532239
  F        11.2164845731        9.0175101356       20.2228764387
  C        11.8824578774        9.7249420450       18.0215229514
  C        11.4370613173       11.0392967913       18.2006928619
  C        11.8882015930       12.0128095292       17.3096398323
  C        12.7689061331       11.6836695966       16.2705562855
  C        13.2441101579       10.3743233083       16.0780310726
  C        12.7650987969        9.4027877305       16.9826752274
  B        14.1557462589        9.9820581034       14.7700271917
  C        15.1607466476       11.1874692285       14.3001199021
  C        15.7638356836       12.0564903336       15.2249332166
  C        16.7016168266       13.0215623327       14.8370364128
  C        17.0862720241       13.1516991030       13.4976605307
  C        16.5059794368       12.2874515483       12.5613267281
  C        15.5674778901       11.3284993527       12.9598937950
  C        16.8421684279       12.3975124105       11.0970247147
  F        17.8574592640       13.2701332977       10.8524490623
  F        15.7542548938       12.8160702734       10.3458207129
  F        17.2354383755       11.1908939451       10.5612850839
  C        17.2388457710       13.9424278235       15.8966899019
  F        16.2461221862       14.6727793744       16.4976642051
  F        18.1482962193       14.8385546489       15.4058638721
  F        17.8386611225       13.2542130912       16.9336826416
  C        13.0490295540        9.6446646058       13.5982057632
  C        12.4466520697       10.6744016545       12.8457075475
  C        11.4652957693       10.4129931452       11.8799397838
  C        11.0419035751        9.1073608506       11.6299603387
  C        11.6022894118        8.0757597465       12.3854333490
  C        12.5778062773        8.3407102265       13.3521884050
  C        11.0272389942        6.6991688113       12.2312921821
  F        10.4970347949        6.4947941824       10.9938574673
  F        11.9229768047        5.6912601816       12.4654647064
  F        10.0061117574        6.4975033194       13.1316138356
  C        10.9014781834       11.5266075737       11.0440969594
  F         9.7395063022       11.1778119170       10.4116742134
  F        10.6241968082       12.6597894406       11.7437889877
  F        11.7665735511       11.8876774774       10.0456828041
  C        15.1918587589        8.7423485133       15.0508316140
  C        15.8566595208        8.5672699558       16.2866422718
  C        16.8096674517        7.5585875619       16.4637936404
  C        17.1159258996        6.6687102385       15.4310469931
  C        16.4825768983        6.8318840430       14.2069519941
  C        15.5592900014        7.8656405982       14.0134921515
  C        17.4841440583        7.2668860457       17.7705612615
  F        17.6135317020        8.3292076665       18.6224323709
  F        16.7935642608        6.3143738555       18.4806491573
  F        18.7593428587        6.7892004174       17.5407900307
  C        11.3918976364       13.4254726329       17.4303428114
  F        10.7858423866       13.6684461383       18.6258959175
  F        10.4813074123       13.7340768531       16.4320142860
  F        12.4021872201       14.3403841219       17.3058587673
  F        17.6306099809        4.8724733856       13.4877340470
  F        17.3766720458        6.5268570020       12.0282526918
  F        15.6565246116        5.2695070301       12.6112700213
  C        16.7877911343        5.8811126599       13.0908088947
  H        10.7444042566       11.2946997442       18.9976500966
  H        13.0879963264       12.4723518855       15.5902615271
  H        13.0744379332        8.3661954623       16.8639895976
  H        15.4940447780       11.9871149214       16.2778834517
  H        17.7985929994       13.9123278503       13.1929820869
  H        15.1381045528       10.6772401449       12.2002658956
  H        12.7468463871       11.7082958103       13.0159030431
  H        10.2773534138        8.8994189676       10.8872967867
  H        12.9750121624        7.5086962005       13.9300710568
  H        15.6294099612        9.2309520405       17.1202576665
  H        17.8258037084        5.8645752908       15.5850570277
  H        15.1113184895        7.9816508841       13.0273192139
  F         2.7316061314       18.6324731347       20.1000279413
  C         2.7317466051       18.2914824942       18.7682761810
  F         1.4078998982       18.0787927715       18.4740051511
  F         3.3590245744       17.0873537619       18.6318606186
  C         3.3412940829       19.3558075929       17.9106109615
  C         4.1828599391       19.0329894446       16.8413945632
  C         4.6927763517       20.0192393147       15.9742605953
  C         4.2756983335       21.3385302334       16.2232301696
  C         3.4394304471       21.6638819726       17.2989418259
  C         2.9675475805       20.6785005677       18.1620342924
  C         2.9235111549       23.0644232181       17.4347767232
  F         2.2999533573       23.2924500267       18.6242564829
  F         3.9022319136       24.0240148523       17.3054304204
  F         1.9925435086       23.2936293198       16.4317857786
  B         5.6124019879       19.6378608831       14.6712874732
  C         6.6509254085       18.4125641786       14.9695843098
  C         7.2681573123       18.2794599532       16.2256539468
  C         8.2431796681       17.3085198025       16.4684644646
  C         8.6430197435       16.4182108585       15.4715784552
  C         8.0500202881       16.5424507450       14.2158243796
  C         7.0860416832       17.5277204906       13.9670219553
  C         8.4235281113       15.5965534701       13.1144143525
  F         7.3129902852       15.0305177888       12.5390997885
  F         9.2159367305       14.5688732836       13.5620567948
  F         9.1080947108       16.2276234807       12.1007330313
  C         8.7835497978       17.1551277134       17.8520395626
  F         8.9101676332       18.3673592233       18.4839720296
  F        10.0143793626       16.5640292659       17.8928395989
  F         7.9539458601       16.3793370663       18.6303099900
  C         6.6324503718       20.8512950382       14.2674758924
  C         7.2120357733       21.6991645477       15.2302075257
  C         8.1644042587       22.6663522665       14.8893181481
  C         8.5924116401       22.8195599241       13.5671704798
  C         8.0397621952       21.9749343786       12.6042530939
  C         7.0851807271       21.0128963680       12.9482198636
  C         8.4042052623       22.1125304120       11.1580774960
  F         8.8235630881       20.9056871878       10.6311855371
  F         9.3803848245       23.0321863508       10.9268249821
  F         7.3247819714       22.5146690456       10.4081162399
  C         8.6820074348       23.5851336573       15.9563873554
  F         9.6016741739       24.4689874342       15.4764288931
  F         7.6876717812       24.3577831911       16.5044754315
  F         9.2705403689       22.8896342162       17.0028170677
  C         4.5425259852       19.2823636957       13.4805225467
  C         4.0528519039       17.9794465710       13.2696315799
  C         3.0835463404       17.6954058453       12.2963022640
  C         2.5596643984       18.7114420374       11.4961838084
  C         3.0183882477       20.0179659767       11.7026258431
  C         3.9796805928       20.2953485311       12.6780809134
  C         2.3989318732       21.1147130336       10.8863876579
  F         2.3720528015       20.7826710002        9.5418234664
  F         1.0899543168       21.3346635630       11.2600403339
  F         3.0364454026       22.3172635243       10.9979165259
  C         2.5088968472       16.3089240212       12.1877992023
  F         1.9323535223       16.0519933445       10.9844523919
  F         3.4284767871       15.3142153273       12.3964660168
  F         1.5224583280       16.1210458969       13.1305295751
  H         4.4383391901       17.9892187815       16.6730107151
  H         4.6030985574       22.1372166230       15.5586667364
  H         2.3072155141       20.9298314959       18.9881094131
  H         6.9847667425       18.9494875012       17.0358478267
  H         9.3784013393       15.6461159990       15.6737470448
  H         6.6626911959       17.5976584445       12.9659782817
  H         6.9111897197       21.6136363278       16.2736962426
  H         9.3163647622       23.5807561116       13.2950791113
  H         6.6824655620       20.3767488895       12.1617429267
  H         4.4308347866       17.1602200885       13.8798196893
  H         1.8073678546       18.4929257276       10.7424282091
  H         4.2989737803       21.3269389104       12.8149141668
  F        15.6183894112        1.2753661615       -0.2930133888
  C        15.6622659738        1.6683375199        1.0286243003
  F        16.9915469421        1.8962838874        1.3186443987
  F        15.0495197371        2.8842037164        1.1012469664
  C        15.0739388524        0.6116978660        1.9259335604
  C        14.2277468567        0.9241227918        2.9965360971
  C        13.7323509803       -0.0715186671        3.8673645025
  C        14.1735776787       -1.3835834523        3.6332286314
  C        15.0056609498       -1.7036097395        2.5564101947
  C        15.4584859537       -0.7135875831        1.6838391789
  C        15.4681070547       -3.1194186029        2.3838123220
  F        16.0486746742       -3.3177751453        1.1714649471
  F        14.4479219839       -4.0414876591        2.4966130247
  F        16.4092771216       -3.4513216503        3.3548395792
  B        12.7878005156        0.2697166387        5.1601489988
  C        11.7362320100        1.4811123387        4.8469749650
  C        11.1261757182        1.5934752566        3.5823461717
  C        10.1464275827        2.5542066282        3.3196444964
  C         9.7321226137        3.4541483799        4.3063830218
  C        10.3177411568        3.3518824809        5.5658134416
  C        11.2912183967        2.3783466241        5.8321869096
  C         9.9547204852        4.3108937030        6.6598333640
  F        11.0915470818        4.8775776789        7.1880983587
  F         9.1363289650        5.3316775275        6.2380583944
  F         9.3072389598        3.6816553747        7.6993793752
  C         9.6234603089        2.7192611305        1.9286632197
  F         9.4968940975        1.5335982503        1.2494024593
  F         8.4028569484        3.3408116565        1.9037161302
  F        10.4693621459        3.4754811517        1.1639483584
  C        11.7873047433       -0.9657025778        5.5522977122
  C        11.2478820011       -1.8422714074        4.5930298082
  C        10.2922576455       -2.8081568471        4.9272835473
  C         9.8232554015       -2.9373296938        6.2375785574
  C        10.3411343697       -2.0713026814        7.1992354856
  C        11.3001303958       -1.1086498158        6.8629111675
  C         9.9456147969       -2.1879189949        8.6398427205
  F         9.5857573719       -0.9741131571        9.1688190378
  F         8.9073653351       -3.0503584448        8.8703313575
  F        11.0138301284       -2.6144829685        9.3930103326
  C         9.7516563458       -3.6988071321        3.8497713403
  F         8.8176784986       -4.5677834946        4.3252737471
  F        10.7197542735       -4.4528715146        3.2284624608
  F         9.1412681881       -2.9678290135        2.8544582744
  C        13.8521452664        0.6107403311        6.3573706317
  C        14.3431442732        1.9093506038        6.5682995288
  C        15.3245981378        2.1850198379        7.5294099159
  C        15.8672264663        1.1717668406        8.3161031493
  C        15.4106688978       -0.1333196491        8.1033974440
  C        14.4288509559       -0.4064842849        7.1457375922
  C        16.0231142133       -1.2294533261        8.9233736194
  F        16.0413950517       -0.8760169400       10.2628113119
  F        17.3296038074       -1.4917455336        8.5810547551
  F        15.3721872083       -2.4177137488        8.8049447242
  C        15.8732515203        3.5764123252        7.6218568456
  F        16.4781730273        3.8581044239        8.8109889285
  F        14.9133612136        4.5289208770        7.4083799630
  F        16.8291224577        3.7877117574        6.6602135781
  H        13.9500289133        1.9646381701        3.1593027158
  H        13.8599300804       -2.1824394188        4.3041346282
  H        16.1059756138       -0.9639464010        0.8480023476
  H        11.4222062465        0.9166231095        2.7818337790
  H         8.9916973891        4.2189776625        4.0925417421
  H        11.7162757027        2.3314231493        6.8338431135
  H        11.5754184392       -1.7748115411        3.5562804644
  H         9.0896068909       -3.6917153197        6.5023460479
  H        11.6739655964       -0.4511757880        7.6466398939
  H        13.9585541035        2.7333162783        5.9692662506
  H        16.6253216915        1.3906444495        9.0636688144
  H        14.1067185578       -1.4376568120        7.0099876878
  H        10.8020205757       11.7734232245        4.7325940152
  H        11.6017906765       10.0586996252        3.1313178967
     646
 i =      122, E =         0.0043004705
 Rh         3.6443607287        0.2396533676        4.8206565665
  P         5.3890633790        0.6384311962        6.2872750991
  C         5.2297928762       -0.3050003660        7.8719386224
  C         4.8365649805       -1.7799869436        7.6629777573
  C         4.5350683133       -2.4400212366        9.0189480888
  C         5.7198085145       -2.3194466170        9.9880901309
  C         6.1861401920       -0.8641660326       10.1419791637
  C         6.4617218922       -0.1959966539        8.7841416854
  C         5.6698833306        2.4058910033        6.8068625664
  C         4.6372201922        2.8214787865        7.8786019434
  C         4.6280540183        4.3313079030        8.1696150453
  C         4.5428107177        5.1635105138        6.8872984370
  C         5.6954395178        4.8035019928        5.9475345502
  C         5.6286390076        3.3197683430        5.5630167910
  C         7.0016310696        0.0939389460        5.5207012767
  C         6.9739974486        0.2307106916        3.9894019953
  P         5.3108514800       -0.2370172118        3.2934219206
  C         5.4689887781       -2.0239937751        2.7903560767
  C         4.3810857067       -2.4022215930        1.7652438673
  C         4.3817090273       -3.9036216228        1.4576571470
  C         4.2453675133       -4.7454348007        2.7283141608
  C         5.3796777474       -4.4236079684        3.7059477476
  C         5.4128530189       -2.9240931277        4.0462483594
  C         5.1278782066        0.7035358207        1.7089524924
  C         4.8479697675        2.2036449950        1.9247375133
  C         4.4305381063        2.8423065547        0.5891898740
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  H        13.0627574714        7.8437551910        0.9906326584
  H        13.1561904392        9.9485707381        1.2305515381
  H        13.1384496189       12.0130460249        2.5970284374
  H        14.8428632679       12.2866583883        2.2491424363
  H        12.5654505516       12.2063944229        0.1967683747
  H        13.4617656289       13.6358237885        0.7054021465
  H        14.2623552026       12.7454106995       -1.5111233516
  H        15.5433654778       12.7628310798       -0.3067222496
  H        15.2930986863        8.9855510667        0.3631959231
  H        16.1595449879       10.4229641283        0.8926700520
  H        13.9032922087       10.3222995309       -1.1845368758
  H        15.6157941528       10.6083622369       -1.5160260493
  H        13.2820681529        9.6848812693        8.2488254534
  H        12.9263319842        7.5724959779        6.9638246684
  H        14.6122106594        7.1289307737        7.2252444207
  H        13.1042595308        6.0719080570        8.9473494836
  H        12.5356696285        7.6674153018        9.4237993916
  H        14.2941835435        6.9013788462       11.0076953250
  H        15.4162239766        6.6362998771        9.6807084045
  H        15.9524746233        8.8024754662       10.7356530557
  H        14.2687631123        9.3285578271       10.5976263399
  H        16.2245153391        8.8478118192        8.2831053720
  H        15.6213629797       10.4006204025        8.8485268189
  H        10.0391529335       10.0755270229        2.4654716439
  H        11.2085739449        9.3936484734        7.1963049775
  H         9.0912873190       10.6675372269        6.4625355958
  H         8.0398902805        9.3705755749        4.3264925153
  H         8.5322456149        8.2010858499        5.5907540839
  H        10.0045419929        7.7676460836        3.3924428815
  H         9.1644722144       11.5934885392        4.0878899494
  H        11.6149236669        7.4029031214        5.4113863233
  F         8.5026919563       11.5985491239        1.4655571135
  C         7.2280043309       11.2411994707        1.0653434551
  F         6.4848770979       12.3777748755        1.0306376562
  F         7.3492004345       10.8245716256       -0.2354168932
  C         6.6276166251       10.1720350636        1.9272021773
  C         7.0033286821        8.8491972782        1.6719575531
  C         6.4460816989        7.8478679427        2.4603429448
  C         5.5394244010        8.1598491474        3.4869905156
  C         5.1535156872        9.4835602234        3.7698522714
  C         5.7295706174       10.4820220354        2.9535813702
  B         4.2389578158        9.8972858418        5.0755769719
  C         3.2176632276        8.7096901285        5.5721983235
  C         2.5831234445        7.8548836354        4.6582082307
  C         1.6570531092        6.8802529258        5.0588378652
  C         1.2936241493        6.7379527336        6.4000837127
  C         1.8896753658        7.6041849983        7.3259479625
  C         2.8301605756        8.5593713076        6.9181895993
  C         1.5839562660        7.5060321994        8.7952608706
  F         0.6300663451        6.5796602108        9.0910220517
  F         2.6871319552        7.1594572543        9.5341898904
  F         1.1748756588        8.7177981657        9.3119079119
  C         1.1552646213        5.9763565174        3.9693263899
  F         2.1804762242        5.2394679880        3.4410039962
  F         0.1939420225        5.0743269595        4.3300116608
  F         0.6518117572        6.7254997472        2.9281285752
  C         5.3456314161       10.2452360588        6.2170946148
  C         5.9033972854        9.1891249710        6.9431502168
  C         6.8575926450        9.3849926124        7.9422510724
  C         7.3139567789       10.6702258747        8.2508974549
  C         6.8171122975       11.7411020396        7.4914088643
  C         5.8543010135       11.5261606555        6.4940223109
  C         7.3338852775       13.1428414944        7.6992486079
  F         7.8475605499       13.3436819576        8.9475729666
  F         6.3554482156       14.0811963229        7.4844114327
  F         8.3395876605       13.4808248634        6.8169688403
  C         7.2736146373        8.1348307623        8.6607360043
  F         8.4343372101        8.2300273951        9.3838493948
  F         7.4254990351        7.0998583856        7.7768720765
  F         6.2866015905        7.7319562438        9.5347682810
  C         3.2286054792       11.1378440772        4.7882047409
  C         2.6284112552       11.2866804245        3.5299096837
  C         1.6672694556       12.2674466062        3.2886385380
  C         1.2730747505       13.1662139877        4.2800023020
  C         1.8555110960       13.0315378369        5.5381116727
  C         2.8001187472       12.0258057382        5.7918784262
  C         1.1061557888       12.3797971206        1.9154798060
  F         1.0155018571       11.1554413869        1.3116976010
  F         1.8932875079       13.1555655235        1.0972167014
  F        -0.1573316057       12.9027336609        1.9032897134
  C         6.8216595502        6.4133828647        2.2178650721
  F         7.6154000969        6.2389520896        1.1138531138
  F         7.4985381039        5.8847891047        3.2978151046
  F         5.7123173205        5.6252681036        2.0530016435
  F         0.7127869208       15.0292623113        6.2352887630
  F         0.8947442227       13.3789783009        7.6961651590
  F         2.6780415763       14.5684339343        7.1195764715
  C         1.5258938655       13.9966903848        6.6379499323
  H         7.7038209659        8.6066195198        0.8779884813
  H         5.1288457026        7.3441577657        4.0809041458
  H         5.4710166666       11.5262160344        3.1245603514
  H         2.8193328054        7.9361162814        3.5981765175
  H         0.5898297644        5.9717711424        6.7136483665
  H         3.2817229264        9.1956361253        7.6783295751
  H         5.5803328234        8.1731321072        6.7274717246
  H         8.0456989507       10.8354635971        9.0350855636
  H         5.4824893103       12.3845741840        5.9366842245
  H         2.9077475094       10.6147940055        2.7202929744
  H         0.5480954713       13.9466284574        4.0745531863
  H         3.2133092123       11.9427707945        6.7971623937
  F         9.9828944226        8.3887757157       18.4856033078
  C        11.2758880549        8.6560869252       18.8866974306
  F        11.9351966001        7.4692797485       18.8445621096
  F        11.2164393465        9.0175582418       20.2229583191
  C        11.8824498143        9.7249874715       18.0214978957
  C        11.4371753671       11.0393389665       18.2008403735
  C        11.8882206511       12.0127899005       17.3097509240
  C        12.7689022697       11.6836652203       16.2706267195
  C        13.2440147238       10.3743028870       16.0780007157
  C        12.7648644546        9.4027223440       16.9825411702
  B        14.1558400827        9.9819383838       14.7700681143
  C        15.1607166680       11.1874769380       14.3000034355
  C        15.7636834887       12.0566224230       15.2248401320
  C        16.7015899148       13.0216213357       14.8369837040
  C        17.0862715213       13.1516737767       13.4976537161
  C        16.5059299699       12.2873533163       12.5614355725
  C        15.5675293499       11.3283288939       12.9598870216
  C        16.8423011838       12.3974102624       11.0970541724
  F        17.8574851370       13.2701574070       10.8523569910
  F        15.7541637410       12.8161164573       10.3457092653
  F        17.2353983795       11.1909456641       10.5612612773
  C        17.2388113528       13.9424185377       15.8966759512
  F        16.2461654130       14.6727738267       16.4976572277
  F        18.1482810988       14.8385251455       15.4058792768
  F        17.8386452508       13.2542626916       16.9336434930
  C        13.0487830053        9.6445323945       13.5981777293
  C        12.4465715278       10.6744093317       12.8456118072
  C        11.4653166217       10.4131468470       11.8797929651
  C        11.0421557235        9.1074744159       11.6298037953
  C        11.6024549278        8.0758635391       12.3856085802
  C        12.5776257781        8.3406679123       13.3525376442
  C        11.0271673436        6.6990965215       12.2312758756
  F        10.4970094959        6.4947363260       10.9937777329
  F        11.9230310684        5.6912253658       12.4654635575
  F        10.0060605223        6.4974603126       13.1316869441
  C        10.9014685493       11.5263318070       11.0443424956
  F         9.7395686031       11.1780228176       10.4116634891
  F        10.6243465520       12.6596717980       11.7435451179
  F        11.7664628328       11.8880324152       10.0456884618
  C        15.1915123529        8.7426570345       15.0510679919
  C        15.8565292524        8.5672794036       16.2866526518
  C        16.8096323571        7.5586092972       16.4636297731
  C        17.1161121489        6.6687426878       15.4309937071
  C        16.4828401447        6.8315649107       14.2068898197
  C        15.5592014001        7.8655046671       14.0137072238
  C        17.4841461779        7.2668856166       17.7706740888
  F        17.6135308243        8.3293152210       18.6224821310
  F        16.7934828628        6.3143087328       18.4806171814
  F        18.7594451717        6.7891224532       17.5407515109
  C        11.3919296306       13.4254309587       17.4303369799
  F        10.7858572150       13.6684737852       18.6258787610
  F        10.4813428481       13.7341213048       16.4320593191
  F        12.4021548454       14.3404126259       17.3058630276
  F        17.6310312939        4.8727105508       13.4880884858
  F        17.3766389961        6.5269362382       12.0284547091
  F        15.6561231569        5.2700208327       12.6111689165
  C        16.7877231980        5.8810275604       13.0906418745
  H        10.7447709639       11.2947289679       18.9978809235
  H        13.0880760721       12.4723899511       15.5903309577
  H        13.0739814084        8.3660457454       16.8635993334
  H        15.4936735420       11.9874222396       16.2778666910
  H        17.7986112914       13.9122830823       13.1929672924
  H        15.1383884089       10.6770255392       12.2003636603
  H        12.7468443453       11.7083385866       13.0158383219
  H        10.2777144478        8.8993159167       10.8866961874
  H        12.9743597048        7.5089842666       13.9304887367
  H        15.6292612737        9.2308333432       17.1201672751
  H        17.8259496004        5.8649791394       15.5848314421
  H        15.1108281636        7.9814546652       13.0270882559
  F         2.7312226286       18.6314816698       20.1000307119
  C         2.7316343413       18.2918691682       18.7678120079
  F         1.4081276694       18.0784011349       18.4746645217
  F         3.3583466219       17.0873795434       18.6325557847
  C         3.3415590965       19.3559624388       17.9100477945
  C         4.1828404461       19.0327225402       16.8413533333
  C         4.6924757572       20.0188945880       15.9748569266
  C         4.2758034139       21.3384964065       16.2234852350
  C         3.4393336346       21.6638063559       17.2990652603
  C         2.9673332919       20.6783318111       18.1618601647
  C         2.9235516158       23.0643326710       17.4346213613
  F         2.3001115889       23.2925935915       18.6241458599
  F         3.9020886754       24.0240370583       17.3055973972
  F         1.9925948918       23.2936818368       16.4319300888
  B         5.6125120947       19.6377892976       14.6711230147
  C         6.6507444185       18.4123756059       14.9696656426
  C         7.2680375263       18.2792491459       16.2257404435
  C         8.2432189657       17.3084506770       16.4684529225
  C         8.6432162302       16.4182858717       15.4715213179
  C         8.0500382290       16.5424235969       14.2158794599
  C         7.0858654611       17.5275379937       13.9671349758
  C         8.4235368788       15.5965228254       13.1144445979
  F         7.3130067005       15.0305687523       12.5390051599
  F         9.2159704413       14.5688832598       13.5620465176
  F         9.1080609335       16.2276055496       12.1007025915
  C         8.7835672017       17.1551197320       17.8520429929
  F         8.9102147766       18.3673491447       18.4839727783
  F        10.0143451029       16.5640551363       17.8928408751
  F         7.9539841785       16.3793315202       18.6303008794
  C         6.6326111994       20.8511347067       14.2674806679
  C         7.2122170209       21.6989143178       15.2302672088
  C         8.1644118945       22.6662868435       14.8893552442
  C         8.5922376485       22.8196209287       13.5671574674
  C         8.0396610546       21.9748495154       12.6043003551
  C         7.0852219453       21.0127399435       12.9482293201
  C         8.4041843200       22.1125373384       11.1580886609
  F         8.8235644291       20.9056743132       10.6311721285
  F         9.3803958016       23.0321938022       10.9267430193
  F         7.3248159842       22.5146557926       10.4080993355
  C         8.6820183642       23.5851292342       15.9563825932
  F         9.6016658776       24.4689616720       15.4764268832
  F         7.6876772888       24.3577768971       16.5044588918
  F         9.2705569785       22.8896244340       17.0028253971
  C         4.5425382899       19.2823977563       13.4806420105
  C         4.0527841582       17.9794215589       13.2695979623
  C         3.0834863041       17.6954029299       12.2962621173
  C         2.5595773034       18.7114320415       11.4961955260
  C         3.0183432925       20.0179124100       11.7026490938
  C         3.9796580559       20.2953168892       12.6781472550
  C         2.3989094297       21.1147575403       10.8863587707
  F         2.3721191783       20.7827223282        9.5419025270
  F         1.0899523175       21.3346738420       11.2599818997
  F         3.0364147491       22.3172311986       10.9978250971
  C         2.5089154344       16.3089848190       12.1877793488
  F         1.9323767643       16.0519949213       10.9844617655
  F         3.4285032803       15.3141704822       12.3964433442
  F         1.5224039522       16.1210064451       13.1305577577
  H         4.4381672133       17.9896541257       16.6730399586
  H         4.6035955507       22.1375322036       15.5588236178
  H         2.3067083773       20.9298379696       18.9878374726
  H         6.9844874975       18.9492032776       17.0360012796
  H         9.3787774058       15.6464427181       15.6735985169
  H         6.6623522782       17.5973167744       12.9661055399
  H         6.9115719048       21.6132292650       16.2737944324
  H         9.3160272740       23.5810458773       13.2950088674
  H         6.6825787500       20.3766167228       12.1618203345
  H         4.4308232337       17.1601517253       13.8798510630
  H         1.8072933990       18.4929763504       10.7425990527
  H         4.2989361506       21.3269462331       12.8150223054
  F        15.6181184366        1.2756507577       -0.2930403767
  C        15.6623351120        1.6683066565        1.0287053002
  F        16.9916334954        1.8962582742        1.3186431721
  F        15.0494606011        2.8841504356        1.1009298850
  C        15.0739686179        0.6116135200        1.9258955299
  C        14.2275014201        0.9240510037        2.9962745318
  C        13.7320994175       -0.0716257159        3.8670418217
  C        14.1731996502       -1.3836941374        3.6329114887
  C        15.0056380008       -1.7035587710        2.5563687334
  C        15.4588310590       -0.7135559896        1.6840194566
  C        15.4680254327       -3.1193548195        2.3837072980
  F        16.0486803648       -3.3178260540        1.1715120650
  F        14.4479372562       -4.0415114139        2.4966169569
  F        16.4093309365       -3.4514079019        3.3548597319
  B        12.7877026120        0.2697554161        5.1599768838
  C        11.7362092904        1.4813414062        4.8467979934
  C        11.1262726682        1.5936423840        3.5821937802
  C        10.1464707250        2.5543606505        3.3196049954
  C         9.7321618334        3.4543110073        4.3063976764
  C        10.3178011992        3.3519492688        5.5657729830
  C        11.2912541106        2.3784664370        5.8320695448
  C         9.9546987491        4.3108156825        6.6596766016
  F        11.0915594328        4.8775828080        7.1882594280
  F         9.1362948995        5.3317470206        6.2381190968
  F         9.3073910668        3.6817567584        7.6994478567
  C         9.6233669118        2.7193341083        1.9284781486
  F         9.4970025753        1.5335763457        1.2494507982
  F         8.4028851203        3.3409029495        1.9037975320
  F        10.4693637138        3.4755111891        1.1639569224
  C        11.7869919490       -0.9654713732        5.5521668037
  C        11.2474053283       -1.8419279073        4.5928607463
  C        10.2920905956       -2.8080794176        4.9272414337
  C         9.8233446279       -2.9374189841        6.2375874197
  C        10.3411227912       -2.0712696808        7.1991862414
  C        11.2999703909       -1.1085048903        6.8628135749
  C         9.9456453140       -2.1878968174        8.6398068946
  F         9.5857070783       -0.9741447033        9.1688370440
  F         8.9073662186       -3.0503421479        8.8703678311
  F        11.0138225780       -2.6144940340        9.3930190732
  C         9.7516216591       -3.6987705073        3.8497582762
  F         8.8176534742       -4.5677965542        4.3252928820
  F        10.7197493157       -4.4528639467        3.2284743537
  F         9.1412519304       -2.9678347323        2.8544381278
  C        13.8520741476        0.6107298446        6.3570883775
  C        14.3430928235        1.9093187571        6.5679484065
  C        15.3246256110        2.1850095285        7.5291026856
  C        15.8674093141        1.1715650132        8.3157001626
  C        15.4107504592       -0.1335074807        8.1032698554
  C        14.4287838790       -0.4064567978        7.1456763002
  C        16.0230414482       -1.2293107483        8.9232099397
  F        16.0413701184       -0.8760663432       10.2627222065
  F        17.3295605420       -1.4917860169        8.5810947123
  F        15.3722488659       -2.4176741970        8.8049891865
  C        15.8735343098        3.5765481494        7.6220184733
  F        16.4780177783        3.8578096588        8.8107666959
  F        14.9129885564        4.5289904602        7.4082974875
  F        16.8292430660        3.7875803629        6.6600827397
  H        13.9495517034        1.9645692731        3.1588648655
  H        13.8592110028       -2.1825768702        4.3035153057
  H        16.1067673218       -0.9638245313        0.8485094381
  H        11.4222754295        0.9169375870        2.7816156671
  H         8.9917306406        4.2191796380        4.0924883536
  H        11.7163466227        2.3314644618        6.8336979100
  H        11.5745813320       -1.7741662815        3.5559870132
  H         9.0899148889       -3.6919919431        6.5024184921
  H        11.6738102826       -0.4510105770        7.6464799203
  H        13.9585969190        2.7332018417        5.9689704898
  H        16.6258067174        1.3905492350        9.0629541389
  H        14.1063670431       -1.4376881080        7.0100407678
  H        10.8017221561       11.7737567855        4.7308280723
  H        11.6013213276       10.0578493054        3.1309375982
     646
 i =      123, E =         0.0006789136
 Rh         3.6445454660        0.2397344446        4.8207421509
  P         5.3891967442        0.6384464490        6.2873869589
  C         5.2298200527       -0.3052831364        7.8719849140
  C         4.8368486174       -1.7802404231        7.6627422872
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  H        11.6148656815        7.4036062361        5.4131319726
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  F         7.3491053636       10.8244428337       -0.2355377755
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  C         7.0030105006        8.8491420165        1.6716563223
  C         6.4461474446        7.8478033866        2.4602756830
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  C         5.1535950117        9.4837350501        3.7701845838
  C         5.7297736985       10.4820726905        2.9537355346
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  C         2.5830746773        7.8546391820        4.6586454988
  C         1.6569137315        6.8800514049        5.0591518579
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  C         1.8897964661        7.6043263519        7.3250197407
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  C         1.5840456509        7.5067647865        8.7964467304
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  F         2.6870863613        7.1595083928        9.5338977679
  F         1.1752526149        8.7173505422        9.3112416495
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  F         0.1937612445        5.0741807132        4.3300892446
  F         0.6515817640        6.7257666198        2.9277313567
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  C         5.9032633086        9.1893653275        6.9435519945
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  C         7.3140912229       10.6703500924        8.2509771762
  C         6.8170766835       11.7406983823        7.4913670748
  C         5.8543810294       11.5262487416        6.4939123871
  C         7.3338247993       13.1425313971        7.6993054702
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  F         6.3557798010       14.0814353707        7.4846358920
  F         8.3396287323       13.4811231308        6.8171553380
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  F         7.4255535075        7.0996639448        7.7768207770
  F         6.2867209675        7.7318743406        9.5347090813
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  C         2.6285088238       11.2867971127        3.5298637928
  C         1.6671581867       12.2673777240        3.2883064775
  C         1.2731408770       13.1658815823        4.2802052999
  C         1.8558481953       13.0313261109        5.5383929377
  C         2.8004515522       12.0260221657        5.7921306638
  C         1.1061181977       12.3799169641        1.9154441618
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  F         1.8934374135       13.1556504088        1.0973803667
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  F         7.4985585915        5.8847815957        3.2979158053
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  F         0.8948158770       13.3791402367        7.6961847607
  F         2.6779036098       14.5683176754        7.1196656273
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  H         5.1294010035        7.3442214615        4.0815001912
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  H         5.4828613099       12.3843686300        5.9365437764
  H         2.9079239149       10.6149005785        2.7201310141
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  H         3.2135405053       11.9432317903        6.7965387743
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  F        11.2166237916        9.0173857001       20.2226073336
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  C        11.4373345657       11.0392917908       18.2008898654
  C        11.8883185939       12.0128602558       17.3096823170
  C        12.7689625574       11.6836687370       16.2705689737
  C        13.2439842986       10.3743479973       16.0779372336
  C        12.7647691429        9.4027005266       16.9823215803
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  C        15.7634620589       12.0566767380       15.2249499085
  C        16.7014095274       13.0215446020       14.8370657781
  C        17.0862359529       13.1516328696       13.4976462964
  C        16.5061394053       12.2874081837       12.5610402862
  C        15.5677260397       11.3284048398       12.9599079315
  C        16.8418323127       12.3976379874       11.0969294415
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  F        15.7545010446       12.8159428042       10.3461283093
  F        17.2355395288       11.1907772246       10.5613111315
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  F        18.1483355661       14.8385899473       15.4057474604
  F        17.8385979433       13.2541376899       16.9335970818
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  C        12.4467939003       10.6745000239       12.8458409211
  C        11.4655230683       10.4122671587       11.8800884138
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  C        11.6015954090        8.0756715414       12.3848871181
  C        12.5769604152        8.3410350092       13.3521996144
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  F        11.9227046717        5.6912850264       12.4652787272
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  F        10.6238320083       12.6602390204       11.7444040426
  F        11.7673615275       11.8873104835       10.0447074801
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  C        15.8566225411        8.5670689562       16.2866993272
  C        16.8096731588        7.5588764196       16.4642381373
  C        17.1158581269        6.6692406923       15.4308245014
  C        16.4818086427        6.8326004213       14.2067589430
  C        15.5586751048        7.8655743344       14.0130897051
  C        17.4841363636        7.2669604718       17.7702753662
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  F        16.7938190878        6.3146623088       18.4806973767
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  F        17.3766307991        6.5266020201       12.0282123395
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  H        10.7449180790       11.2947929951       18.9982201827
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  H        15.6291496487        9.2309007825       17.1204403406
  H        17.8267196618        5.8646141935       15.5849134204
  H        15.1110763612        7.9811145103       13.0282195666
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  F         3.3599812103       17.0877087327       18.6307936612
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  F         3.9024247777       24.0238085374       17.3051231444
  F         1.9924152291       23.2934599794       16.4315958627
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  C         8.2431522058       17.3085442680       16.4685928982
  C         8.6432645511       16.4184544168       15.4714630005
  C         8.0499695910       16.5423401980       14.2157129207
  C         7.0857095147       17.5273209032       13.9671134345
  C         8.4236049516       15.5965555546       13.1144705441
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  C        15.4591151346       -0.7135266938        1.6841119589
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  F        14.4479518814       -4.0413372141        2.4965375566
  F        16.4091342084       -3.4511105859        3.3546877774
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  C        11.1263133810        1.5938625433        3.5821454005
  C        10.1464792693        2.5546564109        3.3200302976
  C         9.7319978437        3.4545603650        4.3062259149
  C        10.3178387248        3.3517866305        5.5652132170
  C        11.2913419343        2.3785020042        5.8319291632
  C         9.9531653993        4.3104291951        6.6595433449
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  F         8.4027492589        3.3407723745        1.9035875920
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  C        11.2470609695       -1.8416457214        4.5927039433
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  C        11.2998313967       -1.1084131233        6.8627266643
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  F        10.7197495381       -4.4528501603        3.2284792070
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  C        14.3432765278        1.9092642961        6.5679529923
  C        15.3253252051        2.1863173681        7.5291175320
  C        15.8672431384        1.1718603586        8.3149868022
  C        15.4107216433       -0.1341637993        8.1031785964
  C        14.4286239236       -0.4068117857        7.1455837620
  C        16.0232081492       -1.2295419094        8.9232630945
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  F        17.3294181856       -1.4915668084        8.5809427043
  F        15.3721330292       -2.4175191396        8.8048117155
  C        15.8736182310        3.5755939308        7.6240041917
  F        16.4762448959        3.8576486735        8.8084590585
  F        14.9139943975        4.5290031326        7.4083267187
  F        16.8293639008        3.7883881069        6.6597678488
  H        13.9491930264        1.9644904092        3.1585168279
  H        13.8586191112       -2.1827721918        4.3031007704
  H        16.1073892457       -0.9637332496        0.8489114198
  H        11.4223826396        0.9170980947        2.7813816648
  H         8.9919791258        4.2191126896        4.0925329539
  H        11.7164419548        2.3314813590        6.8336734387
  H        11.5739131249       -1.7736628894        3.5558268969
  H         9.0901489106       -3.6922275972        6.5024884132
  H        11.6737054278       -0.4508477937        7.6463967396
  H        13.9585336777        2.7333504828        5.9685796096
  H        16.6264076547        1.3905558833        9.0626337834
  H        14.1062337112       -1.4372576830        7.0101312040
  H        10.8015056885       11.7740693207        4.7294100473
  H        11.6008359685       10.0571524389        3.1306829452
     646
 i =      124, E =         0.0045249827
 Rh         3.6448039768        0.2398354208        4.8208392046
  P         5.3893379623        0.6384638240        6.2875392607
  C         5.2298782873       -0.3056219228        7.8719897862
  C         4.8372388934       -1.7806253026        7.6624261031
  C         4.5350480440       -2.4408841408        9.0181715096
  C         5.7196303079       -2.3207876861        9.9874938488
  C         6.1858969664       -0.8655620964       10.1420369829
  C         6.4614106317       -0.1965455109        8.7845418314
  C         5.6698109917        2.4059379011        6.8073172572
  C         4.6366696788        2.8218518751        7.8784448103
  C         4.6292912254        4.3315517824        8.1698738781
  C         4.5432962963        5.1638684559        6.8877601786
  C         5.6948544930        4.8035850850        5.9467285677
  C         5.6289023023        3.3195489227        5.5632358905
  C         7.0019319826        0.0942747026        5.5209035604
  C         6.9743439847        0.2309761511        3.9895918261
  P         5.3111859160       -0.2370567764        3.2937144940
  C         5.4700835566       -2.0239533875        2.7907616204
  C         4.3827549592       -2.4022356688        1.7650289173
  C         4.3821159359       -3.9037976712        1.4583722291
  C         4.2458695442       -4.7451007552        2.7293904366
  C         5.3807680633       -4.4233493265        3.7063093121
  C         5.4136901193       -2.9239234422        4.0466735733
  C         5.1270131257        0.7031772813        1.7090836120
  C         4.8467342631        2.2031151871        1.9250104879
  C         4.4304494127        2.8424895884        0.5894093165
  C         5.4997531874        2.6411885753       -0.4959070767
  C         5.8951399506        1.1630014179       -0.6480396210
  C         6.2720736954        0.5177824542        0.6989018479
  C         1.8847490618        0.3169410936        3.4713202393
  C         1.9100376367       -0.9325595788        4.0970577619
  C         1.0768032649       -0.8009984343        5.3862674475
  C         1.9456157084        0.1308977159        6.2581010598
  C         1.9189401496        1.3800007418        5.6360359766
  C         1.0341036933        1.2307307828        4.3818969683
  C        -0.0067136265        0.2018228850        4.9031432030
  H         4.3811414781        0.1910670090        8.3709782192
  H         5.6582103645       -2.3189232184        7.1652821448
  H         3.9665688118       -1.8513099431        6.9929857559
  H         4.2667887154       -3.4968235279        8.8717501747
  H         3.6504797364       -1.9559710393        9.4564290331
  H         5.4426335559       -2.7327170733       10.9688233805
  H         6.5548567596       -2.9344904759        9.6235831450
  H         7.0948148149       -0.8161960039       10.7598582592
  H         5.4079447114       -0.2905262203       10.6685290718
  H         6.7559717301        0.8502382946        8.9355505763
  H         7.3126023094       -0.6908955511        8.2986999799
  H         6.6792726768        2.4596811188        7.2465256518
  H         4.8340158095        2.2782315411        8.8121693477
  H         3.6317434432        2.5159689401        7.5554540407
  H         5.5441521996        4.6076554686        8.7135210899
  H         3.7889111782        4.5589840268        8.8416014613
  H         4.5533845055        6.2344331797        7.1348401381
  H         3.5862246187        4.9781877491        6.3778692510
  H         6.6528021499        5.0186365876        6.4398953085
  H         5.6706755173        5.4147718294        5.0351902377
  H         6.4543820293        3.0671973521        4.8814066764
  H         4.6974112661        3.1271596801        5.0058938680
  H         7.8399464655        0.6566650344        5.9573131033
  H         7.1413980562       -0.9573893649        5.8092295177
  H         7.7669244462       -0.3679156092        3.5182131935
  H         7.1446660549        1.2760906946        3.6950889398
  H         6.4575111174       -2.1406053205        2.3152037220
  H         4.5232819681       -1.8384836626        0.8328979386
  H         3.3930861588       -2.1152003074        2.1447725216
  H         5.3177674020       -4.1684183089        0.9450044702
  H         3.5657817637       -4.1246266922        0.7590259668
  H         4.2400667865       -5.8132333084        2.4721853538
  H         3.2746649135       -4.5452665489        3.2062135168
  H         5.2680334484       -4.9950296954        4.6398087338
  H         6.3421286887       -4.7266405725        3.2665865211
  H         6.2737947732       -2.7133452510        4.6984358538
  H         4.5145996115       -2.6607774666        4.6271794728
  H         4.2128245103        0.2637093122        1.2758966837
  H         5.7514763455        2.7004517159        2.3056852026
  H         4.0646454571        2.3430419976        2.6869735755
  H         4.2271655859        3.9132950075        0.7302008750
  H         3.4828202617        2.3888503408        0.2621053812
  H         6.3914926323        3.2335188672       -0.2439283580
  H         5.1332015718        3.0321109952       -1.4565410758
  H         6.7373575280        1.0658028985       -1.3489851312
  H         5.0530119494        0.6034225643       -1.0858320652
  H         7.1799815041        0.9927961075        1.0918308017
  H         6.5114943725       -0.5433481201        0.5530321600
  H         2.1203007911        0.5333231614        2.4330494303
  H         2.1773754235       -1.8864009642        3.6522833958
  H         0.7590147952       -1.7381450719        5.8494358475
  H         2.2372717756       -0.0856849128        7.2817666910
  H         2.1960279783        2.3357265612        6.0712592228
  H         0.6745057025        2.1607007962        3.9343845852
  H        -0.6267729700        0.5907008267        5.7172381598
  H        -0.6374173649       -0.2067803163        4.1067350480
 Rh        14.7188068347       19.6367661260       14.9747925188
  P        12.9575047367       19.2074598498       13.5259112476
  C        13.1315866708       20.1897621239       11.9615531225
  C        13.5073663573       21.6624655441       12.2125859882
  C        13.8474134862       22.3596104003       10.8848482105
  C        12.6893060036       22.2581257950        9.8824086957
  C        12.2515439520       20.8008607813        9.6736198634
  C        11.9356956753       20.0907146830       11.0028651227
  C        12.6659850274       17.4545369730       12.9627750217
  C        13.6795438640       17.0369885234       11.8757828275
  C        13.6072654539       15.5354664469       11.5570871581
  C        13.7818536594       14.6978244990       12.8265594714
  C        12.6816151820       15.0363136976       13.8366918183
  C        12.7013309733       16.5294683321       14.2000736555
  C        11.3371505478       19.7040673708       14.3221769835
  C        11.4078576080       19.6680934471       15.8602234445
  P        13.0824542490       20.1678533661       16.5092025849
  C        12.9163542858       21.9659445324       16.9582433974
  C        13.9848631672       22.4151980301       17.9773180079
  C        13.9911811957       23.9399010372       18.1773795898
  C        14.0901573557       24.7024127886       16.8524243070
  C        12.9481447448       24.3010229476       15.9166752098
  C        12.9884466352       22.7908050494       15.6548336540
  C        13.3287608983       19.2282218066       18.0871068637
  C        13.6020636123       17.7369582476       17.8064810987
  C        14.0324235050       17.0220233396       19.0956676076
  C        12.9782667317       17.1795738052       20.2021613992
  C        12.6229306606       18.6563965101       20.4446244648
  C        12.2261414031       19.3879288892       19.1463298850
  C        16.4502259867       19.6256394422       16.3532196570
  C        16.4673726670       20.8202628017       15.6264531475
  C        17.3216571705       20.5599524932       14.3700743054
  C        16.4427548888       19.5820733323       13.5591452304
  C        16.4213044145       18.3889264219       14.2828023678
  C        17.2893711869       18.6173218640       15.5378102192
  C        18.3691608488       19.5737415492       14.9577820717
  H        14.0011100672       19.7096903129       11.4815401572
  H        12.6649795215       22.1831535020       12.6919256920
  H        14.3547697127       21.7225467573       12.9126859500
  H        14.1044647433       23.4120586416       11.0694966255
  H        14.7480334428       21.8923123719       10.4591611047
  H        12.9825733342       22.7054778456        8.9211262907
  H        11.8361758550       22.8474419395       10.2470381397
  H        11.3672388420       20.7554217048        9.0208438691
  H        13.0576084404       20.2530206427        9.1605647700
  H        11.6641336754       19.0447806470       10.8113003687
  H        11.0584057470       20.5580374956       11.4685049232
  H        11.6549602914       17.4228689019       12.5244955522
  H        13.5009020489       17.6145878683       10.9587839181
  H        14.7009334180       17.2838310201       12.2007390135
  H        12.6353888775       15.2999873954       11.0991007940
  H        14.3736698203       15.2854078692       10.8095120655
  H        13.7753943330       13.6262774133       12.5824333619
  H        14.7678173030       14.8993735405       13.2722084144
  H        11.7041258478       14.7611555018       13.4169861983
  H        12.8027606470       14.4536334210       14.7598935550
  H        11.8546939230       16.7637171773       14.8634791438
  H        13.6133558624       16.7478718334       14.7785844814
  H        10.5329863466       19.0493112653       13.9555731997
  H        11.1018611368       20.7176627566       13.9686932419
  H        10.6269729990       20.2982005105       16.3100727131
  H        11.2399348716       18.6451032285       16.2252178948
  H        11.9188643353       22.1001500197       17.4070426793
  H        13.8139647748       21.9245778745       18.9458282244
  H        14.9814962180       22.0930381876       17.6451424026
  H        13.0708905674       24.2422772237       18.6973612807
  H        14.8267909940       24.2103318658       18.8368231930
  H        14.0809979145       25.7838787816       17.0434175173
  H        15.0547412956       24.4943047542       16.3661413273
  H        13.0131795760       24.8315805296       14.9562948400
  H        11.9827023257       24.5769285910       16.3637754704
  H        12.1760802463       22.4992839296       14.9745672290
  H        13.9272347791       22.5394863552       15.1348955812
  H        14.2563622073       19.6663394619       18.4931803307
  H        12.6893552262       17.2624168293       17.4154550971
  H        14.3696777760       17.6333547711       17.0234558853
  H        14.2144034415       15.9581445561       18.8853292639
  H        14.9932226418       17.4391562842       19.4333019219
  H        12.0710525998       16.6252621944       19.9201836996
  H        13.3396863907       16.7226769137       21.1348526790
  H        11.7992166902       18.7315890809       21.1700425062
  H        13.4883364494       19.1686077006       20.8945652233
  H        11.2855530117       18.9694538784       18.7638893628
  H        12.0358361170       20.4479427495       19.3569490767
  H        16.2004638415       19.5054758089       17.4033899566
  H        16.2152412202       21.8132965057       15.9884061285
  H        17.6747996173       21.4458938589       13.8370961558
  H        16.1730076918       19.7194679738       12.5160973911
  H        16.1174059504       17.4084637638       13.9260541249
  H        17.6114326872       17.7186016536       16.0693841258
  H        18.9972606247       19.1036189742       14.1932404222
  H        18.9933155929       20.0315515704       15.7341683539
 Rh         5.9585638864       10.0610008790       14.9866030576
  P         4.1631389986        9.5976550132       13.5998632905
  C         3.7929816779        7.8466499667       13.0868127311
  C         3.7188531075        6.9202827873       14.3197964756
  C         3.6736468811        5.4351724017       13.9236653831
  C         4.8647910190        5.0704936843       13.0349761610
  C         4.8051363573        5.8914723162       11.7463752779
  C         4.8371138933        7.3967101267       12.0464564224
  C         2.5821910287       10.2062641822       14.3741530221
  C         2.6517187205       10.1109027152       15.9047758748
  P         4.3338524330       10.6070328511       16.5324191322
  C         4.1482187605       12.3828128113       17.0420434344
  C         4.0084567507       13.2695557791       15.7848876360
  C         4.0804930772       14.7694618677       16.1072208336
  C         5.3727498210       15.0880839150       16.8629095407
  C         5.4100383527       14.2997364642       18.1736734482
  C         5.3374952549       12.7881026260       17.9365506641
  C         4.5722527360        9.6670002787       18.1082377416
  C         4.9192137990        8.1899521744       17.8398419822
  C         5.2123458263        7.4645589525       19.1604297495
  C         4.0217158524        7.5708297873       20.1239333195
  C         3.3909214647        9.8054954343       19.0820156361
  C         3.6586909770        9.0397547911       20.3891443591
  C         4.3625575609       10.5519492244       12.0247756217
  C         4.7065238251       12.0306682015       12.2894043179
  C         5.0165792928       12.7606771530       10.9723857123
  C         3.8714680986       12.6181605819        9.9592369327
  C         3.4944561837       11.1470957875        9.7335676394
  C         3.1799766799       10.4272458745       11.0560477860
  C         7.7933966446       11.1864604111       15.5524252514
  C         7.5783098749        8.6905166790       14.3551627947
  C         8.4765642609        8.9357649208       15.5852560036
  C         9.6062687259        9.7838892665       14.9381970344
  C         8.6153429719       10.8014003638       14.3059067373
  C         7.7154954520       10.0419981042       16.3489597643
  C         7.6636665073        9.8377162336       13.5617503530
  H         2.8012847106        7.8627453759       12.6050449793
  H         4.5965188042        7.0933748820       14.9619942762
  H         2.8349818550        7.1728056159       14.9246748295
  H         2.7431702723        5.2166326329       13.3820857959
  H         3.6527304045        4.8267580568       14.8347946530
  H         5.8048234689        5.2710749923       13.5713839628
  H         4.8734411833        3.9965173863       12.8030283156
  H         5.6368584839        5.6416731816       11.0734831898
  H         3.8812172029        5.6409338495       11.2057308888
  H         4.6717258927        7.9550771343       11.1196241673
  H         5.8459045666        7.6651230452       12.3923066724
  H         2.4588216996       11.2513534553       14.0580684806
  H         1.7229185313        9.6482448192       13.9753879814
  H         1.8745744136       10.7238998445       16.3830962487
  H         2.4932834167        9.0735244417       16.2305684227
  H         3.2184428740       12.4612618287       17.6282106878
  H         4.8142109528       13.0181137565       15.0777750595
  H         3.0613225732       13.0423238044       15.2754129732
  H         4.0083339076       15.3406767303       15.1703534188
  H         3.2161804560       15.0651890866       16.7190622072
  H         5.4612487509       16.1629504340       17.0688413432
  H         6.2417264169       14.8281848369       16.2392139039
  H         6.3174470127       14.5293295423       18.7456001910
  H         4.5579324978       14.6080253449       18.7957983004
  H         6.2787989547       12.4507940553       17.4795921997
  H         5.2657926363       12.2720222556       18.9040924149
  H         5.4587749818       10.1359470579       18.5661895969
  H         5.7791372151        8.1288078167       17.1550131519
  H         4.0805584149        7.6938225310       17.3304581293
  H         6.1018456634        7.9155743375       19.6244428951
  H         5.4653651545        6.4130682944       18.9632569514
  H         4.2453084193        7.0590731428       21.0699312665
  H         3.1565109813        7.0523450002       19.6857001941
  H         3.1898603002       10.8630108062       19.2966640294
  H         2.4851839826        9.4025091921       18.6111422076
  H         4.4860345115        9.5257387641       20.9306134887
  H         2.7725637432        9.1063064156       21.0371748478
  H         5.2449958684       10.0846853094       11.5569124394
  H         5.5607146695       12.0988972609       12.9827363863
  H         3.8578781739       12.5227959532       12.7877730168
  H         5.2144497356       13.8224099060       11.1762810639
  H         5.9437006727       12.3509921349       10.5464032725
  H         4.1519204398       13.0890108258        9.0055370660
  H         2.9905888263       13.1641587670       10.3237308004
  H         2.6246305938       11.0714051478        9.0648697047
  H         4.3297409018       10.6280565341        9.2363214317
  H         2.2839198481       10.8692607094       11.5125785993
  H         2.9431234483        9.3748297148       10.8638492754
  H         7.5979673709       12.2124320367       15.8525587593
  H         7.2189790956        7.7092424698       14.0571794075
  H         8.7503617552        8.0486478570       16.1615434584
  H        10.2795649225       10.2382299002       15.6754023083
  H        10.1822998224        9.2266012216       14.1934049058
  H         9.0187537265       11.6332412195       13.7221735174
  H         7.4727626910        9.9998094261       17.4067242833
  H         7.3893145582        9.9313176811       12.5143336310
 Rh        12.6595028685        9.8042860734        4.6974817167
  P        14.2976107767       10.0556316282        6.1692104325
  C        14.4328694864       11.8589044343        6.6634935003
  C        14.7172757246       12.8228665374        5.4941218329
  C        14.7736661550       14.2870822963        5.9751185280
  C        13.5090794236       14.6965293122        6.7380862130
  C        13.2830797795       13.7542853552        7.9230541187
  C        13.1813655847       12.2986936930        7.4445348025
  C        15.9656044718        9.6393277688        5.4455891975
  C        15.9736757060        9.8557187521        3.9206105513
  P        14.3120367817        9.4360709720        3.2056687625
  C        14.3819189533        7.6325426461        2.7164728932
  C        14.5670630513        6.7164017018        3.9447387007
  C        14.4463810683        5.2240374080        3.5890170397
  C        13.1169334768        4.9283019660        2.8885740890
  C        13.0021483427        5.7744126008        1.6179501011
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  F         7.3490839656       10.8244330909       -0.2355778962
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  C         7.0025849500        8.8490849993        1.6712852612
  C         6.4461429306        7.8478388954        2.4602725345
  C         5.5401037455        8.1600527951        3.4875747814
  C         5.1538763969        9.4837927967        3.7704080124
  C         5.7300375209       10.4821311354        2.9539376584
  B         4.2392753547        9.8971775628        5.0755636581
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  C         2.5833178646        7.8545591683        4.6585755114
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  F         0.1939671973        5.0743517046        4.3300226176
  F         0.6516748324        6.7256804278        2.9278671078
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  F         7.4255384447        7.0997230958        7.7768812256
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  F        11.2166502232        9.0173448710       20.2225448816
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  C        11.4374832575       11.0392880587       18.2010087398
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  C        15.7632809484       12.0568016045       15.2249340655
  C        16.7013249113       13.0215622609       14.8370581932
  C        17.0862263728       13.1516038632       13.4976392445
  C        16.5062172063       12.2873941338       12.5609678265
  C        15.5678321283       11.3283119576       12.9599258161
  C        16.8417475234       12.3976653549       11.0968924332
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  F        15.7545636029       12.8159138349       10.3462029043
  F        17.2355543658       11.1907417784       10.5613216044
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  F        18.1483410315       14.8386090988       15.4057362758
  F        17.8386151165       13.2540987756       16.9336102760
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  C        12.4467980021       10.6745070262       12.8458455537
  C        11.4655613553       10.4122078587       11.8800142035
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  C        11.0273488757        6.6995129630       12.2313441397
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  F        10.6237253818       12.6603056407       11.7445636666
  F        11.7673993285       11.8870620309       10.0447453982
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  C        16.8096957348        7.5589170285       16.4642746180
  C        17.1159290282        6.6694297932       15.4307450836
  C        16.4815631527        6.8328544917       14.2067973594
  C        15.5584165220        7.8654787968       14.0129826194
  C        17.4841177208        7.2669716505       17.7701487726
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  F        16.7938608530        6.3147052008       18.4807032492
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  F        10.4812922145       13.7338480444       16.4319529281
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  H        10.7452187017       11.2948423696       18.9985316166
  H        13.0881306269       12.4723330153       15.5905856870
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  F         3.3605194716       17.0876698437       18.6301950733
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  C         2.9234855698       23.0648131159       17.4350865484
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  F         1.9923768436       23.2934301957       16.4314782478
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  C         7.2676787895       18.2789438980       16.2258860022
  C         8.2431367159       17.3085351780       16.4686053909
  C         8.6434407200       16.4185593428       15.4714224972
  C         8.0499568745       16.5422940439       14.2157106668
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  F        10.0144440444       16.5639587757       17.8928094188
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  F         7.6876391586       24.3577837322       16.5045101875
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  C         3.9795902825       20.2953523173       12.6782697110
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  C        13.7313456839       -0.0715515069        3.8668153789
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  C        15.4594445577       -0.7134719980        1.6843069916
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  F        14.4479140908       -4.0413339545        2.4965256066
  F        16.4090929822       -3.4510563673        3.3546398201
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  C        11.1263392208        1.5941066934        3.5819861378
  C        10.1464601086        2.5548220110        3.3198611579
  C         9.7320289401        3.4546768042        4.3061157078
  C        10.3178199364        3.3519575358        5.5651955701
  C        11.2913885431        2.3785979432        5.8318017654
  C         9.9534226487        4.3105976500        6.6596906068
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  F         9.1364855809        5.3316424344        6.2379856569
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  F         8.4027315981        3.3406862289        1.9035075866
  F        10.4693675723        3.4756423453        1.1637387502
  C        11.7864616160       -0.9650735906        5.5518046229
  C        11.2466064165       -1.8412713154        4.5925150330
  C        10.2918781478       -2.8078734830        4.9271120875
  C         9.8235339580       -2.9375674741        6.2376020223
  C        10.3410571285       -2.0712421351        7.1992226553
  C        11.2996813188       -1.1082578405        6.8625993349
  C         9.9456331023       -2.1878954507        8.6398026258
  F         9.5858878223       -0.9740371920        9.1687757256
  F         8.9073852549       -3.0504181819        8.8702435124
  F        11.0138878426       -2.6144547776        9.3929820308
  C         9.7515431229       -3.6987325186        3.8497053712
  F         8.8176366456       -4.5678410141        4.3252714880
  F        10.7197412556       -4.4528444541        3.2284829024
  F         9.1412576277       -2.9678310453        2.8543904846
  C        13.8516418717        0.6101031095        6.3563815143
  C        14.3433484154        1.9092078948        6.5677287894
  C        15.3252770016        2.1860792004        7.5287922967
  C        15.8675043574        1.1718286484        8.3146450326
  C        15.4106523688       -0.1339918785        8.1028260354
  C        14.4284492159       -0.4068157467        7.1454187721
  C        16.0232472060       -1.2296375136        8.9232666474
  F        16.0413422291       -0.8758527202       10.2626678196
  F        17.3295325279       -1.4915655224        8.5808960232
  F        15.3720516809       -2.4176378037        8.8047593053
  C        15.8733999833        3.5755914909        7.6233903922
  F        16.4765850106        3.8579114421        8.8088476275
  F        14.9142733753        4.5288754646        7.4083753557
  F        16.8292888106        3.7884518095        6.6598456615
  H        13.9487347881        1.9643570477        3.1580607308
  H        13.8578741776       -2.1829506299        4.3025001170
  H        16.1082168390       -0.9636205058        0.8494031902
  H        11.4224627243        0.9174127276        2.7811721377
  H         8.9920176886        4.2192967531        4.0924944588
  H        11.7165101828        2.3315362152        6.8335463839
  H        11.5730615167       -1.7730058315        3.5555677407
  H         9.0904646156       -3.6925284936        6.5025695763
  H        11.6735538309       -0.4506588697        7.6462575287
  H        13.9585588413        2.7333037448        5.9682483630
  H        16.6268131070        1.3904143549        9.0618704558
  H        14.1058957073       -1.4372682689        7.0101829841
  H        10.8011471301       11.7744106321        4.7275133902
  H        11.6003186381       10.0562390810        3.1303115743
     646
 i =      125, E =         0.0003749123
 Rh         3.6449480761        0.2398966244        4.8209012869
  P         5.3894154296        0.6384626854        6.2876720343
  C         5.2298949661       -0.3057858986        7.8719267310
  C         4.8374566440       -1.7809104718        7.6622088033
  C         4.5350135722       -2.4411989014        9.0178675581
  C         5.7195758246       -2.3212680429        9.9872921741
  C         6.1858089279       -0.8660310446       10.1420758256
  C         6.4613504992       -0.1967322908        8.7847319710
  C         5.6697702146        2.4059590393        6.8074742936
  C         4.6364963363        2.8219722837        7.8783748756
  C         4.6297350529        4.3316397931        8.1700104360
  C         4.5434966129        5.1640127553        6.8878863159
  C         5.6946677323        4.8036493651        5.9464445690
  C         5.6289920240        3.3194615148        5.5632887402
  C         7.0020597056        0.0943542077        5.5209901440
  C         6.9744758637        0.2310782511        3.9896284657
  P         5.3112996329       -0.2370446642        3.2937987026
  C         5.4704598358       -2.0239332377        2.7908936750
  C         4.3833409024       -2.4022302419        1.7649539914
  C         4.3822545727       -3.9038940485        1.4585927050
  C         4.2460554025       -4.7449750460        2.7297540773
  C         5.3811712150       -4.4232989252        3.7064727794
  C         5.4139927680       -2.9238552904        4.0468629175
  C         5.1267677995        0.7030293241        1.7091771655
  C         4.8463089113        2.2029888031        1.9251047998
  C         4.4304191342        2.8425676848        0.5895212558
  C         5.5000332142        2.6413896829       -0.4955480960
  C         5.8949477472        1.1631053481       -0.6480143766
  C         6.2716755523        0.5174766451        0.6988286623
  C         1.8848849931        0.3170275918        3.4713543907
  C         1.9101188873       -0.9324588258        4.0972811448
  C         1.0769385635       -0.8006629605        5.3864050507
  C         1.9458450350        0.1314657046        6.2581397546
  C         1.9192441223        1.3802420713        5.6359991080
  C         1.0343203127        1.2309090364        4.3817549623
  C        -0.0065209847        0.2021885913        4.9032301859
  H         4.3810316047        0.1907097153        8.3709272251
  H         5.6586334125       -2.3190404624        7.1653210341
  H         3.9670064715       -1.8516269984        6.9925601691
  H         4.2666693202       -3.4970739240        8.8713792608
  H         3.6504815240       -1.9561972310        9.4560912428
  H         5.4425463775       -2.7333378333       10.9685402982
  H         6.5547854325       -2.9349143106        9.6232930918
  H         7.0947197279       -0.8167749445       10.7598737598
  H         5.4078505625       -0.2911472580       10.6686705836
  H         6.7556733962        0.8500574963        8.9359318005
  H         7.3126216659       -0.6908486514        8.2988371945
  H         6.6791637862        2.4597454470        7.2468791811
  H         4.8333028989        2.2781030297        8.8120697965
  H         3.6315184883        2.5166159504        7.5550223340
  H         5.5449057630        4.6073717623        8.7132607791
  H         3.7897034248        4.5593439287        8.8420367779
  H         4.5538501254        6.2345567318        7.1350039402
  H         3.5861673104        4.9785099520        6.3783779950
  H         6.6527739994        5.0191255857        6.4390291107
  H         5.6698146190        5.4144861876        5.0347184536
  H         6.4546550229        3.0671698456        4.8816835668
  H         4.6976600572        3.1268149922        5.0057949151
  H         7.8400472472        0.6567784429        5.9573916943
  H         7.1415270018       -0.9572526197        5.8092870596
  H         7.7670255529       -0.3678745536        3.5183275496
  H         7.1448465378        1.2761605207        3.6951113531
  H         6.4580000336       -2.1404985030        2.3155442375
  H         4.5244018436       -1.8388025852        0.8327119239
  H         3.3936328621       -2.1147087445        2.1442841991
  H         5.3177275068       -4.1688292595        0.9451385378
  H         3.5657594625       -4.1246013453        0.7594477062
  H         4.2400204918       -5.8131460128        2.4726863329
  H         3.2749487329       -4.5449261745        3.2067596107
  H         5.2686948630       -4.9949900430        4.6399199720
  H         6.3424213147       -4.7264421036        3.2664806693
  H         6.2739937324       -2.7132178367        4.6986593543
  H         4.5148294703       -2.6607758949        4.6272416047
  H         4.2124538987        0.2634402756        1.2761663223
  H         5.7508506725        2.7003012390        2.3061789520
  H         4.0639403759        2.3426785436        2.6868247191
  H         4.2271555761        3.9133385109        0.7304447253
  H         3.4828591974        2.3890349948        0.2617981033
  H         6.3918772404        3.2333025794       -0.2429936421
  H         5.1339634423        3.0327612191       -1.4561389519
  H         6.7371333161        1.0657542315       -1.3489058036
  H         5.0526092045        0.6039227881       -1.0859437826
  H         7.1797558609        0.9920258088        1.0917776195
  H         6.5105647386       -0.5436821041        0.5527413112
  H         2.1204615297        0.5332379478        2.4330207251
  H         2.1774469120       -1.8863474172        3.6525457463
  H         0.7591139094       -1.7377011743        5.8497783117
  H         2.2374779392       -0.0851064100        7.2818107694
  H         2.1963888259        2.3361198201        6.0709153897
  H         0.6747835992        2.1609056090        3.9341643523
  H        -0.6265189355        0.5912303488        5.7173010104
  H        -0.6373164822       -0.2064816586        4.1069026153
 Rh        14.7188125827       19.6367986827       14.9747719348
  P        12.9577052899       19.2075567781       13.5258656129
  C        13.1317698868       20.1897663848       11.9614624291
  C        13.5074957408       21.6625504547       12.2126058253
  C        13.8474472710       22.3597701268       10.8848829563
  C        12.6891940111       22.2582968833        9.8825235205
  C        12.2513546703       20.8010815483        9.6737010144
  C        11.9357548074       20.0908117275       11.0029521476
  C        12.6662733468       17.4545171110       12.9629807903
  C        13.6799212132       17.0369927565       11.8760914092
  C        13.6075584102       15.5355023334       11.5571675056
  C        13.7817464871       14.6975704043       12.8265391205
  C        12.6815849692       15.0363182297       13.8367211267
  C        12.7017832029       16.5294160047       14.2002882614
  C        11.3373352924       19.7045476480       14.3218325269
  C        11.4078112907       19.6678848522       15.8599186174
  P        13.0823347030       20.1677758785       16.5090132105
  C        12.9159708055       21.9657942225       16.9582381556
  C        13.9848076085       22.4148035011       17.9770715467
  C        13.9910382830       23.9393346271       18.1776308555
  C        14.0903525937       24.7020344611       16.8528311457
  C        12.9482393572       24.3012287102       15.9169518689
  C        12.9875957133       22.7909313614       15.6549651704
  C        13.3287160305       19.2282363279       18.0869423863
  C        13.6022646952       17.7369645601       17.8064652768
  C        14.0322503115       17.0220959359       19.0957714379
  C        12.9778412134       17.1797269281       20.2020373387
  C        12.6228912503       18.6566245768       20.4444834890
  C        12.2261111627       19.3880699485       19.1461382622
  C        16.4504454667       19.6254121574       16.3531445060
  C        16.4675126996       20.8202178824       15.6264713388
  C        17.3216197721       20.5600024060       14.3699415703
  C        16.4426452174       19.5823095547       13.5590010009
  C        16.4212834530       18.3889186689       14.2826461023
  C        17.2894372316       18.6172261957       15.5374481626
  C        18.3692221572       19.5737121278       14.9574004266
  H        14.0012539849       19.7098019812       11.4813626307
  H        12.6651181052       22.1831191434       12.6920040547
  H        14.3549311134       21.7226200299       12.9126360191
  H        14.1044106603       23.4121995209       11.0695782249
  H        14.7480244733       21.8925448980       10.4591001495
  H        12.9824514310       22.7056633068        8.9211958589
  H        11.8361789797       22.8476694778       10.2472013708
  H        11.3669142089       20.7557515042        9.0211380227
  H        13.0572747124       20.2532335774        9.1604244651
  H        11.6641712702       19.0448932732       10.8113581957
  H        11.0585384760       20.5580955664       11.4687806250
  H        11.6552548399       17.4226741493       12.5247389194
  H        13.5014883936       17.6146999651       10.9591316039
  H        14.7012855531       17.2837138503       12.2012449266
  H        12.6357870426       15.3002365937       11.0989170431
  H        14.3741240299       15.2854832519       10.8097847793
  H        13.7748231958       13.6261072607       12.5821861037
  H        14.7677558924       14.8986085352       13.2722818720
  H        11.7040210331       14.7615570560       13.4169707522
  H        12.8025398448       14.4534506423       14.7598132994
  H        11.8554089427       16.7637749931       14.8639617590
  H        13.6140329645       16.7475829692       14.7785277528
  H        10.5328924023       19.0504702126       13.9547649619
  H        11.1028325838       20.7184276371       13.9688212605
  H        10.6267767419       20.2976702928       16.3099020357
  H        11.2400337363       18.6447015470       16.2244330927
  H        11.9186447008       22.0998048458       17.4074300376
  H        13.8143841540       21.9236999415       18.9454538556
  H        14.9813710626       22.0928582460       17.6443218133
  H        13.0705947770       24.2415589155       18.6974581993
  H        14.8264904225       24.2096291851       18.8373800805
  H        14.0815789302       25.7835054736       17.0439372686
  H        15.0549310851       24.4936192943       16.3666178063
  H        13.0137291514       24.8316937532       14.9565861923
  H        11.9829229039       24.5777210352       16.3639277251
  H        12.1745681405       22.5000361681       14.9752595425
  H        13.9258800228       22.5392179246       15.1343034658
  H        14.2563582043       19.6665117291       18.4929517721
  H        12.6897920521       17.2623515122       17.4151173891
  H        14.3701834605       17.6334837211       17.0237204797
  H        14.2142650060       15.9581992098       18.8855265609
  H        14.9930152065       17.4391950022       19.4337017123
  H        12.0705691807       16.6257641011       19.9197203292
  H        13.3388827240       16.7226247875       21.1347554384
  H        11.7993036896       18.7321219775       21.1700033979
  H        13.4885190673       19.1686919644       20.8942606218
  H        11.2855590461       18.9695774342       18.7637535609
  H        12.0358625956       20.4481057987       19.3566378670
  H        16.2007373807       19.5051563056       17.4032750679
  H        16.2154169328       21.8131632453       15.9885883025
  H        17.6746740471       21.4460005659       13.8370632496
  H        16.1727627774       19.7197338755       12.5160197928
  H        16.1173114564       17.4085724289       13.9257518726
  H        17.6116007126       17.7184677268       16.0688880964
  H        18.9971166745       19.1036665214       14.1927159911
  H        18.9935060443       20.0314078956       15.7337345918
 Rh         5.9583208924       10.0609557758       14.9866327582
  P         4.1630856156        9.5978768733       13.5996030776
  C         3.7934117830        7.8467731690       13.0867003884
  C         3.7195702013        6.9206225848       14.3199238464
  C         3.6739734064        5.4354512983       13.9239670909
  C         4.8648832352        5.0703672214       13.0349930266
  C         4.8054174801        5.8914869651       11.7464384900
  C         4.8377882080        7.3967815650       12.0466245140
  C         2.5820476093       10.2061741021       14.3740198687
  C         2.6515519190       10.1108011159       15.9046440829
  P         4.3336379462       10.6068461953       16.5324850855
  C         4.1483328074       12.3827643815       17.0419462095
  C         4.0088025883       13.2693440481       15.7847302943
  C         4.0806523537       14.7692609326       16.1069536083
  C         5.3726304799       15.0881713845       16.8629449142
  C         5.4099361979       14.2996625216       18.1735965947
  C         5.3376616209       12.7880280595       17.9363078214
  C         4.5719435844        9.6668052717       18.1083377826
  C         4.9186092081        8.1896660919       17.8399290034
  C         5.2119144841        7.4642019395       19.1604223617
  C         4.0215892848        7.5707076354       20.1242357204
  C         3.3909102431        9.8054562097       19.0824358962
  C         3.6588051570        9.0396305040       20.3894637027
  C         4.3624827398       10.5522359566       12.0244959253
  C         4.7066522745       12.0308751915       12.2890571788
  C         5.0170377737       12.7606841715       10.9719912440
  C         3.8717265223       12.6186614584        9.9589577096
  C         3.4942984898       11.1476486624        9.7331929844
  C         3.1798122168       10.4276776095       11.0557675795
  C         7.7929690148       11.1864982311       15.5525229507
  C         7.5781728056        8.6905708925       14.3552232059
  C         8.4763450817        8.9358842244       15.5854063491
  C         9.6060272448        9.7841378643       14.9384041081
  C         8.6149932754       10.8015675597       14.3060854167
  C         7.7151243107       10.0419765435       16.3490621929
  C         7.6634461753        9.8377510910       13.5618383081
  H         2.8017572733        7.8624374249       12.6048170077
  H         4.5974846331        7.0937350761       14.9616525360
  H         2.8359841226        7.1733250252       14.9250335643
  H         2.7433213003        5.2170415462       13.3826705325
  H         3.6532492783        4.8271890260       14.8351484188
  H         5.8050422154        5.2704704551       13.5712801880
  H         4.8729549693        3.9964728713       12.8029346734
  H         5.6370748525        5.6415141239       11.0735906150
  H         3.8814439087        5.6412883372       11.2057877682
  H         4.6728287725        7.9552172568       11.1198211750
  H         5.8464849952        7.6648333034       12.3928595484
  H         2.4584564018       11.2512590198       14.0579354598
  H         1.7228519236        9.6480104373       13.9752348164
  H         1.8743147198       10.7237441374       16.3829484800
  H         2.4931105905        9.0734008516       16.2304183049
  H         3.2185110964       12.4614353231       17.6281591844
  H         4.8147494070       13.0178806193       15.0778581523
  H         3.0617973095       13.0420248356       15.2749462026
  H         4.0086728668       15.3404293563       15.1699825419
  H         3.2160703497       15.0649876195       16.7184994124
  H         5.4607334174       16.1630294128       17.0690488941
  H         6.2417971367       14.8286556445       16.2394223191
  H         6.3172779413       14.5293810482       18.7456438629
  H         4.5577127460       14.6077512931       18.7957810213
  H         6.2789020284       12.4510289496       17.4791275407
  H         5.2662936677       12.2718040524       18.9038305142
  H         5.4586747389       10.1355881864       18.5661707877
  H         5.7783927717        8.1283740459       17.1548979781
  H         4.0797627186        7.6936936977       17.3307249306
  H         6.1016426924        7.9149941305       19.6242321601
  H         5.4646728185        6.4126471868       18.9631404686
  H         4.2454035691        7.0589411004       21.0702313585
  H         3.1561686141        7.0521856907       19.6863178267
  H         3.1901222657       10.8630542971       19.2971891058
  H         2.4849128385        9.4027428266       18.6117306837
  H         4.4862587802        9.5254832392       20.9308337254
  H         2.7727573454        9.1062852682       21.0376743849
  H         5.2448031082       10.0848511946       11.5565945251
  H         5.5607715173       12.0990355511       12.9825006356
  H         3.8580231900       12.5232474801       12.7872558517
  H         5.2154859871       13.8223205370       11.1757623821
  H         5.9438521779       12.3504497647       10.5459614301
  H         4.1521887004       13.0894364666        9.0052908909
  H         2.9910825836       13.1648785150       10.3236303340
  H         2.6243828258       11.0722642249        9.0647338598
  H         4.3293621567       10.6285190998        9.2358464963
  H         2.2838411396       10.8697917952       11.5123171823
  H         2.9428995794        9.3753755062       10.8634554992
  H         7.5973754762       12.2124479996       15.8526617211
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 Rh        12.6594279159        9.8043810313        4.6975039351
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  C        14.4463962228        5.2243749405        3.5893401448
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  H        16.1658164059        8.5874286660        5.6913044930
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  H        16.7763815308        9.2835272109        3.4344971893
  H        16.1408306858       10.9150109626        3.6853538225
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  H        13.4598829281       13.6358589153        0.7046979090
  H        14.2622073408       12.7461718023       -1.5113386690
  H        15.5426239412       12.7637405345       -0.3063206144
  H        15.2907161712        8.9854883566        0.3621364911
  H        16.1590754270       10.4215582621        0.8921558262
  H        13.9034822575       10.3232339064       -1.1859190913
  H        15.6162220293       10.6094607389       -1.5159030530
  H        13.2813068514        9.6829579942        8.2490335450
  H        12.9272245705        7.5702986337        6.9633685836
  H        14.6135005667        7.1282826444        7.2247371779
  H        13.1070243856        6.0688840702        8.9459854449
  H        12.5354745288        7.6632121187        9.4227336462
  H        14.2934948333        6.9003411768       11.0077694812
  H        15.4169303705        6.6351892319        9.6820222900
  H        15.9516560491        8.8017772609       10.7359121606
  H        14.2677785649        9.3272120628       10.5974594466
  H        16.2239513170        8.8466146236        8.2832536753
  H        15.6208703783       10.3995079821        8.8485904745
  H        10.0374551820       10.0710718327        2.4651229154
  H        11.2089048682        9.4004329345        7.1970617308
  H         9.0911892198       10.6718858027        6.4609392212
  H         8.0395261186        9.3693529951        4.3282764995
  H         8.5330706008        8.2031655242        5.5951281568
  H        10.0046430691        7.7653167730        3.3972144378
  H         9.1634345693       11.5927950419        4.0843877711
  H        11.6146839924        7.4051635726        5.4168584315
  F         8.5026424553       11.5985318738        1.4655839423
  C         7.2279648315       11.2411975229        1.0652511094
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  F         7.3491825626       10.8245715447       -0.2355071760
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  C         7.0023000954        8.8490864551        1.6711072115
  C         6.4460448485        7.8478810558        2.4603733602
  C         5.5403297272        8.1600428238        3.4877977578
  C         5.1541552815        9.4837652946        3.7704030979
  C         5.7302031550       10.4821754949        2.9540533857
  B         4.2391909433        9.8975168315        5.0757399809
  C         3.2175609961        8.7100348132        5.5722299852
  C         2.5836250756        7.8546478948        4.6582835342
  C         1.6572789409        6.8801765617        5.0588541844
  C         1.2937194446        6.7379845753        6.4000390616
  C         1.8894988289        7.6044978639        7.3258231231
  C         2.8294728872        8.5601675242        6.9180307800
  C         1.5837966890        7.5060432178        8.7953830814
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  F         2.6870825235        7.1595307633        9.5340938132
  F         1.1749379077        8.7178037705        9.3118591798
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  F         2.1805238500        5.2394544479        3.4409792431
  F         0.1939810037        5.0743936334        4.3300470996
  F         0.6518469547        6.7255220965        2.9281642825
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  C         5.9026686864        9.1893741211        6.9441373812
  C         6.8574927296        9.3851283138        7.9426598958
  C         7.3141986827       10.6702877720        8.2509882972
  C         6.8173168851       11.7410449933        7.4914289175
  C         5.8547043252       11.5261898376        6.4939021166
  C         7.3339404651       13.1428128349        7.6992683595
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  F         6.3555270928       14.0812218947        7.4844257581
  F         8.3396165529       13.4809043452        6.8169999956
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  F         7.4254884597        7.0998965422        7.7768816645
  F         6.2866287148        7.7319041177        9.5347700939
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  C         2.6288187587       11.2869674408        3.5297928549
  C         1.6671337297       12.2675112391        3.2886177080
  C         1.2726797496       13.1657613040        4.2802219287
  C         1.8555768579       13.0316519099        5.5380497023
  C         2.8008634258       12.0264482247        5.7916981313
  C         1.1061123458       12.3797714942        1.9154636041
  F         1.0154953991       11.1553732843        1.3117341838
  F         1.8933363035       13.1556077782        1.0972606526
  F        -0.1573887367       12.9027554006        1.9034153513
  C         6.8216402609        6.4134042557        2.2178781138
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  F         7.4985257096        5.8848071903        3.2978300656
  F         5.7122882497        5.6252579715        2.0530217892
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  F         0.8947677887       13.3790312726        7.6961479873
  F         2.6780058803       14.5684239291        7.1196076436
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  H         7.7013822990        8.6063341198        0.8759741334
  H         5.1306623449        7.3445271037        4.0825976915
  H         5.4722203549       11.5264559390        3.1254751480
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  H         0.5900744828        5.9717587939        6.7135640478
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  H         8.0461029418       10.8354779870        9.0349315880
  H         5.4835199155       12.3844535553        5.9360085541
  H         2.9083105910       10.6152567437        2.7200815234
  H         0.5468521010       13.9457333650        4.0749325513
  H         3.2146239456       11.9440660783        6.7965919440
  F         9.9828795140        8.3887759231       18.4855761830
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  F        11.9352088693        7.4692873062       18.8445677152
  F        11.2164669811        9.0175244405       20.2228969314
  C        11.8824043467        9.7249004308       18.0214824880
  C        11.4375265170       11.0393583195       18.2011155087
  C        11.8883289820       12.0128102685       17.3098890353
  C        12.7689302977       11.6836656120       16.2707009757
  C        13.2437923823       10.3742592078       16.0779292924
  C        12.7643687367        9.4025481947       16.9821470434
  B        14.1555555016        9.9819984964       14.7700552221
  C        15.1605944308       11.1874550980       14.3000309654
  C        15.7632653725       12.0569081502       15.2247539340
  C        16.7014275117       13.0216860449       14.8369374128
  C        17.0862636085       13.1516144145       13.4976300666
  C        16.5060009189       12.2872352446       12.5613790095
  C        15.5677569099       11.3280730315       12.9599168902
  C        16.8422566879       12.3973831247       11.0970153003
  F        17.8574790694       13.2701421192       10.8524093985
  F        15.7542087023       12.8160982827       10.3457704352
  F        17.2353937963       11.1909225190       10.5612653185
  C        17.2387780532       13.9424462864       15.8966555785
  F        16.2461443895       14.6727891921       16.4976576300
  F        18.1482764002       14.8385310120       15.4058639285
  F        17.8386428588       13.2542390832       16.9336176069
  C        13.0485842513        9.6446731204       13.5983884632
  C        12.4465324547       10.6744449713       12.8455629167
  C        11.4654140866       10.4130525228       11.8796051248
  C        11.0425447725        9.1073634467       11.6292875741
  C        11.6022746516        8.0758278105       12.3855867516
  C        12.5769189291        8.3408432219       13.3530369006
  C        11.0271519708        6.6991183397       12.2312810253
  F        10.4970171043        6.4947833087       10.9938120863
  F        11.9230000410        5.6912733764       12.4654898802
  F        10.0060786770        6.4974948405       13.1316621136
  C        10.9015171568       11.5264238573       11.0442208761
  F         9.7395112586       11.1778968897       10.4116341034
  F        10.6242483055       12.6597330964       11.7436928337
  F        11.7666061087       11.8878813925       10.0455369165
  C        15.1913323482        8.7422964108       15.0509363162
  C        15.8563164526        8.5671528227       16.2866273379
  C        16.8096638747        7.5587007105       16.4636355770
  C        17.1163172950        6.6691162724       15.4307721007
  C        16.4825954282        6.8317643179       14.2068803187
  C        15.5586790565        7.8652646221       14.0136620208
  C        17.4841339536        7.2669191808       17.7705723063
  F        17.6135234088        8.3292556478       18.6224386202
  F        16.7935161273        6.3143636146       18.4805972465
  F        18.7593562437        6.7891768269       17.5407589725
  C        11.3919434004       13.4254509534       17.4303972060
  F        10.7858402329       13.6684779672       18.6259207124
  F        10.4813512043       13.7340708871       16.4320669890
  F        12.4021819035       14.3404149362       17.3058701808
  F        17.6307853767        4.8725207104       13.4878735929
  F        17.3766291766        6.5268601057       12.0283629575
  F        15.6563946318        5.2696716713       12.6112406471
  C        16.7877328225        5.8811711818       13.0906692062
  H        10.7455167555       11.2948361197       18.9985819461
  H        13.0882049290       12.4724104577       15.5905535854
  H        13.0728612686        8.3657566065       16.8627134396
  H        15.4928436469       11.9881363642       16.2776361475
  H        17.7986385456       13.9121580530       13.1929186695
  H        15.1389490237       10.6763658923       12.2004189881
  H        12.7468361398       11.7083679671       13.0157021755
  H        10.2788517566        8.8991466288       10.8855761286
  H        12.9730374088        7.5092455960       13.9317861488
  H        15.6288908110        9.2307006338       17.1202448116
  H        17.8266939521        5.8655693867       15.5844611652
  H        15.1100582027        7.9808452056       13.0274521158
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  F         3.3587420083       17.0874278400       18.6320963544
  C         3.3410123881       19.3557728808       17.9101645408
  C         4.1826477289       19.0328643388       16.8413662962
  C         4.6927445902       20.0191476029       15.9746959895
  C         4.2762647094       21.3385888089       16.2237528539
  C         3.4393302945       21.6638425380       17.2989671101
  C         2.9667369190       20.6783429359       18.1615173175
  C         2.9234888285       23.0643775126       17.4347030225
  F         2.3000028864       23.2925502230       18.6242366692
  F         3.9021617660       24.0239918716       17.3055194086
  F         1.9925716371       23.2936527256       16.4318497612
  B         5.6124315603       19.6375310931       14.6714052303
  C         6.6504047837       18.4119182755       14.9698764805
  C         7.2676423212       18.2787987926       16.2259357968
  C         8.2432451655       17.3083619971       16.4684803515
  C         8.6436237043       16.4185397633       15.4714007182
  C         8.0500376789       16.5423157355       14.2159125707
  C         7.0854300073       17.5270483166       13.9673524382
  C         8.4235524955       15.5965054799       13.1144411092
  F         7.3129984513       15.0305306141       12.5390576038
  F         9.2159560395       14.5688689976       13.5620461317
  F         9.1080883650       16.2276129448       12.1007181426
  C         8.7836072962       17.1550810398       17.8520625315
  F         8.9101916946       18.3673400986       18.4839722500
  F        10.0143779432       16.5640448695       17.8928516114
  F         7.9539649712       16.3793318592       18.6303133956
  C         6.6328687435       20.8506826317       14.2676208026
  C         7.2126891901       21.6983466611       15.2304294694
  C         8.1644474686       22.6661393498       14.8894049887
  C         8.5918548991       22.8198040748       13.5671192754
  C         8.0395881207       21.9748081112       12.6042981748
  C         7.0853861288       21.0124386348       12.9483041775
  C         8.4041310804       22.1125018720       11.1581054606
  F         8.8235623636       20.9056468925       10.6311865873
  F         9.3803716323       23.0321815737       10.9268142190
  F         7.3247826943       22.5146497137       10.4081066008
  C         8.6820189558       23.5850662061       15.9564084665
  F         9.6016465829       24.4689428304       15.4764343682
  F         7.6876779814       24.3577634325       16.5044639367
  F         9.2705518189       22.8896158483       17.0028553168
  C         4.5424152706       19.2823084458       13.4807362454
  C         4.0527255401       17.9793713025       13.2696569026
  C         3.0834525605       17.6953881622       12.2963005131
  C         2.5595087708       18.7114514124       11.4963309176
  C         3.0182784263       20.0179242222       11.7027341497
  C         3.9796045237       20.2953104882       12.6783107741
  C         2.3988632845       21.1147983093       10.8864473697
  F         2.3720830320       20.7826708265        9.5418956804
  F         1.0899649124       21.3346597332       11.2600206360
  F         3.0364210591       22.3172136207       10.9978981474
  C         2.5089005124       16.3089705188       12.1877885107
  F         1.9323450188       16.0519805593       10.9844373658
  F         3.4285109289       15.3141587070       12.3964577520
  F         1.5223970011       16.1210045812       13.1305714869
  H         4.4380189227       17.9893709438       16.6729568050
  H         4.6045373507       22.1375594723       15.5597340796
  H         2.3055977132       20.9296265955       18.9870853615
  H         6.9838427504       18.9484378290       17.0363240613
  H         9.3797696846       15.6471236927       15.6732636255
  H         6.6615643830       17.5964854600       12.9664716638
  H         6.9124687621       21.6122164886       16.2740602641
  H         9.3151132320       23.5816292126       13.2948699183
  H         6.6827815490       20.3761805407       12.1619034671
  H         4.4307097104       17.1600752733       13.8798381315
  H         1.8069696566       18.4930382640       10.7428188944
  H         4.2988096266       21.3268803893       12.8152562838
  F        15.6182780257        1.2754999268       -0.2930379295
  C        15.6623461694        1.6683148847        1.0286313511
  F        16.9916064141        1.8963011425        1.3186409549
  F        15.0494982733        2.8841928986        1.1011264699
  C        15.0740920432        0.6116400142        1.9258314538
  C        14.2269100488        0.9238961072        2.9956335955
  C        13.7313872118       -0.0717354735        3.8664026602
  C        14.1723055756       -1.3838638652        3.6321011944
  C        15.0056175676       -1.7036211061        2.5562225273
  C        15.4596663242       -0.7134438283        1.6844149738
  C        15.4680680764       -3.1194035910        2.3836952699
  F        16.0486908641       -3.3178182189        1.1714482514
  F        14.4478981758       -4.0415000265        2.4965938899
  F        16.4092918363       -3.4513630810        3.3547886164
  B        12.7873785698        0.2699287662        5.1594814470
  C        11.7363308361        1.4816948158        4.8463949212
  C        11.1264035416        1.5941612660        3.5818499770
  C        10.1465089433        2.5547438340        3.3194408626
  C         9.7321848586        3.4546765617        4.3062437071
  C        10.3178345522        3.3522026882        5.5656153193
  C        11.2913383280        2.3787328390        5.8317656880
  C         9.9547045846        4.3108665254        6.6596854987
  F        11.0916131115        4.8776494074        7.1882130587
  F         9.1362738601        5.3317801828        6.2380871726
  F         9.3072987939        3.6816968721        7.6993789271
  C         9.6233532841        2.7194853497        1.9283798153
  F         9.4969314773        1.5336739843        1.2494621640
  F         8.4028390133        3.3408424738        1.9037271550
  F        10.4693619040        3.4756090221        1.1638475264
  C        11.7862797135       -0.9649089675        5.5517719041
  C        11.2462991987       -1.8410671155        4.5924533941
  C        10.2917646606       -2.8078378685        4.9271049094
  C         9.8235636725       -2.9376555885        6.2376342254
  C        10.3410836460       -2.0712033390        7.1991224162
  C        11.2995811699       -1.1081658583        6.8625471764
  C         9.9456676940       -2.1878813691        8.6397822859
  F         9.5857512035       -0.9741237361        9.1688215620
  F         8.9073944998       -3.0503504175        8.8703293097
  F        11.0138434220       -2.6144811379        9.3929988108
  C         9.7515152489       -3.6987301254        3.8497132908
  F         8.8176386785       -4.5678205229        4.3252737036
  F        10.7197321978       -4.4528477809        3.2284911030
  F         9.1412232974       -2.9678338210        2.8543661814
  C        13.8520491471        0.6106504527        6.3565645519
  C        14.3431585665        1.9092627500        6.5673121848
  C        15.3247852648        2.1848893290        7.5284877649
  C        15.8677972318        1.1714156262        8.3146693382
  C        15.4108039535       -0.1335546350        8.1027555728
  C        14.4284666676       -0.4065268744        7.1453929318
  C        16.0230333739       -1.2293402769        8.9230357057
  F        16.0413703060       -0.8760199392       10.2626404672
  F        17.3296147960       -1.4917860472        8.5810822656
  F        15.3722108665       -2.4177468944        8.8049566019
  C        15.8736207516        3.5764473201        7.6217967925
  F        16.4779240733        3.8578187472        8.8105332101
  F        14.9131453509        4.5289754117        7.4082401725
  F        16.8292424848        3.7877079380        6.6600251398
  H        13.9484420532        1.9643282137        3.1577977980
  H        13.8574477341       -2.1829807020        4.3020814491
  H        16.1086888928       -0.9635438257        0.8497158570
  H        11.4224633882        0.9176757715        2.7811119354
  H         8.9918465011        4.2195818219        4.0923955326
  H        11.7165092838        2.3315874998        6.8334088275
  H        11.5725755643       -1.7726070300        3.5553366216
  H         9.0906850827       -3.6926849762        6.5026033824
  H        11.6734466696       -0.4505657374        7.6461444816
  H        13.9586838803        2.7330378944        5.9682276707
  H        16.6269089420        1.3902751223        9.0612955130
  H        14.1055774589       -1.4376534668        7.0101671407
  H        10.8009082951       11.7746167273        4.7263226932
  H        11.6001228303       10.0556713564        3.1300458805
     646
 i =      126, E =         0.0044788394
 Rh         3.6451798899        0.2399864786        4.8209763243
  P         5.3895707846        0.6384706053        6.2878476872
  C         5.2299328099       -0.3060844074        7.8718977275
  C         4.8377936277       -1.7812699073        7.6619102832
  C         4.5349952706       -2.4416574672        9.0174206629
  C         5.7194737476       -2.3219783062        9.9869634830
  C         6.1856759882       -0.8667696356       10.1421168827
  C         6.4612065346       -0.1970219196        8.7849819972
  C         5.6697382396        2.4059843606        6.8077089949
  C         4.6362243070        2.8221628713        7.8782985703
  C         4.6304064329        4.3317672200        8.1701542297
  C         4.5437768363        5.1642044815        6.8881076988
  C         5.6943663366        4.8036977521        5.9460200484
  C         5.6291251947        3.3193552765        5.5633970168
  C         7.0022337443        0.0945366963        5.5210876503
  C         6.9746523709        0.2312307232        3.9897212334
  P         5.3114899596       -0.2370546038        3.2939466591
  C         5.4710351264       -2.0239054508        2.7911083752
  C         4.3842155940       -2.4022513559        1.7648619432
  C         4.3824761875       -3.9040061305        1.4589752218
  C         4.2463317717       -4.7447918690        2.7303351935
  C         5.3817587126       -4.4231601137        3.7066754838
  C         5.4144426210       -2.9237765540        4.0471000445
  C         5.1263433399        0.7028197125        1.7092703466
  C         4.8456680602        2.2027392591        1.9252414291
  C         4.4303764465        2.8426664436        0.5896534140
  C         5.5004530924        2.6416698627       -0.4949623887
  C         5.8946287234        1.1632734461       -0.6479313057
  C         6.2710006698        0.5170685835        0.6987001023
  C         1.8851244881        0.3170858585        3.4713875966
  C         1.9102632341       -0.9322725691        4.0975616012
  C         1.0771559983       -0.8001250655        5.3866693907
  C         1.9461551699        0.1320320957        6.2583084350
  C         1.9196721913        1.3808825376        5.6357860307
  C         1.0346547397        1.2312164012        4.3815945383
  C        -0.0062540391        0.2027204787        4.9033414489
  H         4.3808804483        0.1901625912        8.3708418050
  H         5.6592943129       -2.3192332185        7.1653584294
  H         3.9676499494       -1.8521130596        6.9918961075
  H         4.2664882258       -3.4974781001        8.8708084842
  H         3.6504833646       -1.9565509784        9.4555739487
  H         5.4424142715       -2.7342875514       10.9681146798
  H         6.5546906288       -2.9355624522        9.6228516279
  H         7.0945880869       -0.8176543102       10.7599089841
  H         5.4077005351       -0.2920853087       10.6688935347
  H         6.7552361020        0.8497998195        8.9365190498
  H         7.3126651439       -0.6907785122        8.2990482909
  H         6.6789876786        2.4598446303        7.2474024657
  H         4.8322297627        2.2779095119        8.8119114474
  H         3.6311848831        2.5175947100        7.5543763443
  H         5.5460680024        4.6069464393        8.7128802797
  H         3.7908959516        4.5598895517        8.8427138563
  H         4.5545521920        6.2347564703        7.1352546828
  H         3.5860897102        4.9789948194        6.3791546460
  H         6.6527605304        5.0198640063        6.4377282314
  H         5.6685117374        5.4140716484        5.0339829964
  H         6.4550756231        3.0671229878        4.8820937410
  H         4.6980186399        3.1262903441        5.0056398588
  H         7.8401991780        0.6569550990        5.9575107874
  H         7.1417363576       -0.9570852062        5.8093824965
  H         7.7671905293       -0.3678116535        3.5184886239
  H         7.1451198511        1.2762806443        3.6951476817
  H         6.4587412711       -2.1403334798        2.3160592342
  H         4.5260885786       -1.8392775260        0.8324169126
  H         3.3944659224       -2.1139760781        2.1435438801
  H         5.3177048223       -4.1694605091        0.9453286868
  H         3.5656997992       -4.1245686026        0.7600600947
  H         4.2399541357       -5.8130162969        2.4734462763
  H         3.2754021477       -4.5444121157        3.2075762906
  H         5.2696984629       -4.9949570986        4.6401266258
  H         6.3428896124       -4.7261505938        3.2663167387
  H         6.2743261418       -2.7130144912        4.6990154629
  H         4.5151770241       -2.6607719038        4.6273449120
  H         4.2119447731        0.2630515769        1.2765960818
  H         5.7499288807        2.7000946084        2.3069390889
  H         4.0628731067        2.3421311010        2.6866131026
  H         4.2271323251        3.9134236287        0.7308198591
  H         3.4829306062        2.3893218072        0.2613459201
  H         6.3924624803        3.2329829278       -0.2415761340
  H         5.1351096287        3.0337638030       -1.4555415716
  H         6.7368169823        1.0656823638       -1.3488126268
  H         5.0520102903        0.6046874308       -1.0861049465
  H         7.1794611073        0.9908826238        1.0917090406
  H         6.5091837044       -0.5442326082        0.5522947770
  H         2.1207019353        0.5330994190        2.4329912030
  H         2.1775526746       -1.8862571645        3.6529538783
  H         0.7592673046       -1.7370239620        5.8502993157
  H         2.2377921642       -0.0842239648        7.2818801502
  H         2.1969426858        2.3366967153        6.0703991228
  H         0.6752143270        2.1612005250        3.9338330744
  H        -0.6261314399        0.5920261327        5.7173998389
  H        -0.6371592433       -0.2060306091        4.1071657152
 Rh        14.7188714083       19.6368514325       14.9747393301
  P        12.9579605419       19.2076916363       13.5257758538
  C        13.1320384151       20.1898378449       11.9613625321
  C        13.5076878357       21.6626271957       12.2125998122
  C        13.8474356373       22.3599945524       10.8849363752
  C        12.6890762868       22.2585745110        9.8826855762
  C        12.2510637411       20.8014007869        9.6738415968
  C        11.9358240524       20.0909615609       11.0030842793
  C        12.6667143528       17.4544875026       12.9633250697
  C        13.6804954533       17.0369878939       11.8765566897
  C        13.6079995890       15.5355688960       11.5573312291
  C        13.7815439896       14.6972299992       12.8265113447
  C        12.6815590285       15.0363252539       13.8367489193
  C        12.7024588163       16.5293479621       14.2005902958
  C        11.3376581266       19.7052455865       14.3213818557
  C        11.4077483024       19.6675637111       15.8594130788
  P        13.0821101254       20.1676587831       16.5087513635
  C        12.9153958682       21.9655762735       16.9582314981
  C        13.9847359375       22.4141404927       17.9767151216
  C        13.9908210310       23.9385175436       18.1780447185
  C        14.0906523333       24.7014832378       16.8534423727
  C        12.9483720000       24.3014893702       15.9173987402
  C        12.9863185257       22.7911636241       15.6551885097
  C        13.3287035405       19.2282752123       18.0867151393
  C        13.6025703473       17.7370213169       17.8064524984
  C        14.0320098488       17.0221994031       19.0959767726
  C        12.9772189848       17.1799886229       20.2018350177
  C        12.6228404691       18.6569894139       20.4442835351
  C        12.2260870770       19.3882770444       19.1458688891
  C        16.4507606716       19.6252071726       16.3529170328
  C        16.4677194423       20.8200135393       15.6265439907
  C        17.3215589459       20.5600957199       14.3697785367
  C        16.4424543898       19.5824836421       13.5589143758
  C        16.4212137991       18.3891339389       14.2822683895
  C        17.2895827892       18.6170839233       15.5369556549
  C        18.3692408599       19.5736863798       14.9568335012
  H        14.0014791323       19.7099626966       11.4810848308
  H        12.6653002230       22.1830818269       12.6921460401
  H        14.3551737093       21.7227325060       12.9125728469
  H        14.1043265556       23.4124337652       11.0697050061
  H        14.7480138149       21.8929050742       10.4590015900
  H        12.9822493180       22.7059341543        8.9213361242
  H        11.8361353941       22.8480302680       10.2474735395
  H        11.3663932748       20.7562540230        9.0215788180
  H        13.0567575227       20.2535678827        9.1602199078
  H        11.6642159670       19.0450670703       10.8114454872
  H        11.0587311334       20.5581807077       11.4691991874
  H        11.6556852466       17.4223848151       12.5251053710
  H        13.5023712244       17.6148744108       10.9596577122
  H        14.7018055188       17.2835380157       12.2020113809
  H        12.6363691323       15.3006108826       11.0986351412
  H        14.3748170308       15.2855933404       10.8101871171
  H        13.7739507453       13.6258312759       12.5818067831
  H        14.7676650557       14.8974553161       13.2723996018
  H        11.7038460985       14.7621665639       13.4169488150
  H        12.8021958187       14.4531738597       14.7597065399
  H        11.8564779686       16.7638705408       14.8647025343
  H        13.6150584537       16.7471504787       14.7784470871
  H        10.5327221125       19.0522072734       13.9535346368
  H        11.1042789443       20.7196252922       13.9690062708
  H        10.6264592443       20.2968743764       16.3096611728
  H        11.2401783768       18.6440912566       16.2232507832
  H        11.9182903597       22.0992784331       17.4080265743
  H        13.8150095353       21.9223892386       18.9448749556
  H        14.9811362093       22.0925997832       17.6431066302
  H        13.0701401115       24.2404721552       18.6976142287
  H        14.8260100462       24.2085567681       18.8382174356
  H        14.0824519738       25.7829275337       17.0447331239
  H        15.0551887011       24.4925858648       16.3673532442
  H        13.0145445727       24.8318827101       14.9570244211
  H        11.9832358744       24.5789216025       16.3641794004
  H        12.1722540211       22.5011691702       14.9763049042
  H        13.9238066783       22.5388184470       15.1334229525
  H        14.2562966657       19.6667511825       18.4925972715
  H        12.6904092243       17.2622314780       17.4145976753
  H        14.3709405790       17.6336762191       17.0241199986
  H        14.2140454327       15.9582820833       18.8858283822
  H        14.9926634574       17.4392467582       19.4342972817
  H        12.0697994896       16.6265014007       19.9190201425
  H        13.3376633798       16.7225394640       21.1346235547
  H        11.7994173845       18.7329252213       21.1699516926
  H        13.4887589597       19.1688070876       20.8937939484
  H        11.2855240935       18.9697535987       18.7635421612
  H        12.0358877687       20.4483618059       19.3561746256
  H        16.2011362195       19.5046628642       17.4031566063
  H        16.2156669801       21.8129897424       15.9888763489
  H        17.6744865292       21.4461804494       13.8370094604
  H        16.1723819393       19.7201491846       12.5158818498
  H        16.1171549395       17.4087005821       13.9252888278
  H        17.6118564114       17.7182513179       16.0681551326
  H        18.9969200099       19.1037277121       14.1918945578
  H        18.9937871983       20.0312011037       15.7330861935
 Rh         5.9579579174       10.0608796579       14.9866799456
  P         4.1630041526        9.5982188627       13.5992189534
  C         3.7940549499        7.8469385941       13.0865531981
  C         3.7206337941        6.9211079763       14.3200169845
  C         3.6745224305        5.4358940710       13.9243849335
  C         4.8649553739        5.0702334580       13.0350331004
  C         4.8058475022        5.8915567789       11.7465847376
  C         4.8387544450        7.3968095662       12.0469034109
  C         2.5818115676       10.2060405530       14.3737883533
  C         2.6512766279       10.1106372613       15.9044750452
  P         4.3333054057       10.6065815049       16.5325832555
  C         4.1484291339       12.3826357773       17.0418457892
  C         4.0092845441       13.2690207649       15.7844521521
  C         4.0808351028       14.7690021502       16.1065326259
  C         5.3724263648       15.0882916367       16.8630213015
  C         5.4097528753       14.2995629426       18.1735525496
  C         5.3378873219       12.7879352134       17.9359948387
  C         4.5715267067        9.6664934307       18.1085170011
  C         4.9177057458        8.1892363899       17.8400283974
  C         5.2112823382        7.4636418097       19.1604084257
  C         4.0213509552        7.5704305148       20.1247101021
  C         3.3908318964        9.8054454021       19.0830423521
  C         3.6589334276        9.0394444231       20.3899768302
  C         4.3623181037       10.5526488692       12.0240676518
  C         4.7068590417       12.0312207003       12.2885556100
  C         5.0176783682       12.7606897022       10.9713934389
  C         3.8721278434       12.6193404449        9.9585745630
  C         3.4940628327       11.1485330828        9.7327848925
  C         3.1796299634       10.4284192145       11.0553060927
  C         7.7923081497       11.1865418660       15.5527108739
  C         7.5779722642        8.6906351748       14.3553453661
  C         8.4760261409        8.9360477347       15.5856065280
  C         9.6056109581        9.7845201006       14.9387256148
  C         8.6144685084       10.8017803549       14.3063421660
  C         7.7145470991       10.0419803571       16.3492414730
  C         7.6631288857        9.8378335252       13.5619803528
  H         2.8024820074        7.8619697911       12.6044863119
  H         4.5989849390        7.0942831299       14.9611761229
  H         2.8374766791        7.1741173079       14.9256090593
  H         2.7435622053        5.2176584695       13.3835632268
  H         3.6540341796        4.8278224026       14.8357158484
  H         5.8053881202        5.2695551225       13.5711313140
  H         4.8722228998        3.9963665568       12.8027864607
  H         5.6374156927        5.6412686359       11.0737370465
  H         3.8817757251        5.6418174214       11.2058660405
  H         4.6744853420        7.9554451458       11.1200951153
  H         5.8473900759        7.6644080703       12.3937032073
  H         2.4579019085       11.2510985446       14.0577425642
  H         1.7227622054        9.6476556018       13.9750137768
  H         1.8739295151       10.7235001984       16.3827223076
  H         2.4928440497        9.0732170697       16.2301922441
  H         3.2186521630       12.4616908224       17.6280569755
  H         4.8155723355       13.0175163435       15.0779789678
  H         3.0625397130       13.0415714059       15.2742633295
  H         4.0091866714       15.3400265351       15.1694470305
  H         3.2159208007       15.0646690065       16.7176478582
  H         5.4599391254       16.1631568892       17.0693802584
  H         6.2419255786       14.8293521861       16.2397227696
  H         6.3170019725       14.5294441705       18.7457039466
  H         4.5574004692       14.6073194575       18.7957297696
  H         6.2790925021       12.4513579338       17.4784098828
  H         5.2670400889       12.2714750970       18.9034212788
  H         5.4584961525       10.1350259198       18.5661262983
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  H        11.6145650245        7.4060522948        5.4190311479
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  C         7.0018996242        8.8490639429        1.6708026753
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  C         5.1544109068        9.4838602746        3.7706031160
  C         5.7304394661       10.4822541379        2.9542375682
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  F        11.2164506314        9.0175490942       20.2229274814
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  C        11.4376149239       11.0393919060       18.2012685593
  C        11.8883718021       12.0128046843       17.3099447570
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  C        13.2437166324       10.3742499513       16.0778824742
  C        12.7641606913        9.4024925997       16.9820267303
  B        14.1555811548        9.9819181052       14.7700861832
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  C        15.7631211750       12.0570100981       15.2246837842
  C        16.7013879297       13.0217225365       14.8369162973
  C        17.0862456020       13.1515688455       13.4976187730
  C        16.5059862374       12.2871640777       12.5614226624
  C        15.5678004817       11.3279216148       12.9599145910
  C        16.8423111456       12.3973586088       11.0970479637
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  F        15.7541724250       12.8161118624       10.3457255933
  F        17.2353926320       11.1909021661       10.5612198360
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  F        18.1482782654       14.8385165491       15.4058588882
  F        17.8386192175       13.2542684083       16.9335775756
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  C        12.4465097717       10.6744501461       12.8455334359
  C        11.4654863504       10.4130535462       11.8795651330
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  C        11.6022869494        8.0759369811       12.3856145394
  C        12.5767001817        8.3408844924       13.3532772264
  C        11.0271066197        6.6991306426       12.2312740354
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  F        11.9230038699        5.6912207761       12.4654450086
  F        10.0060505587        6.4974283851       13.1316685658
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  F        10.6243519433       12.6596349341       11.7435533827
  F        11.7665717145       11.8880824963       10.0455108519
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  C        15.8562163222        8.5671401088       16.2866530972
  C        16.8096312836        7.5587581653       16.4635670748
  C        17.1164595192        6.6691801317       15.4307077078
  C        16.4826856363        6.8316164344       14.2067701843
  C        15.5585699488        7.8651162352       14.0137799196
  C        17.4841379038        7.2669202815       17.7706486727
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  F        16.7934812324        6.3143515670       18.4805806351
  F        18.7594158157        6.7891314496       17.5407414996
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  F        10.4813795025       13.7340819475       16.4320954345
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  F        17.3766358477        6.5269357743       12.0284496743
  F        15.6561490696        5.2700207502       12.6111787287
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  H        10.7458423593       11.2948626116       18.9987997108
  H        13.0882585170       12.4724274043       15.5906135931
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  H        17.8269078056        5.8658713843       15.5842815693
  H        15.1096634017        7.9806302493       13.0273889836
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  F         3.3583059729       17.0874483989       18.6325690052
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  C         4.1826207809       19.0327237733       16.8413256110
  C         4.6926227826       20.0189192703       15.9750169984
  C         4.2763742524       21.3385880725       16.2239638653
  C         3.4392208347       21.6638005137       17.2990948543
  C         2.9665370678       20.6782374498       18.1613643353
  C         2.9235482017       23.0643418073       17.4345987301
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  F         3.9020553102       24.0239805217       17.3056188499
  F         1.9925897319       23.2936818232       16.4319490684
  B         5.6124732064       19.6374733397       14.6713476856
  C         6.6502406284       18.4117481941       14.9699433988
  C         7.2675392693       18.2785843662       16.2260167187
  C         8.2432624074       17.3083254538       16.4684995451
  C         8.6438079157       16.4186061494       15.4713508379
  C         8.0500280921       16.5422970211       14.2159214413
  C         7.0852816186       17.5268542643       13.9674360164
  C         8.4235686756       15.5964876895       13.1144694116
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  F         9.2159686756       14.5688788755       13.5620344697
  F         9.1080680214       16.2276074314       12.1007052355
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  F        10.0143656549       16.5640481662       17.8928457749
  F         7.9539899720       16.3793377116       18.6302988852
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  C         7.2128579364       21.6981106073       15.2304912417
  C         8.1644421490       22.6660613285       14.8894545027
  C         8.5916942312       22.8198497102       13.5671149325
  C         8.0395224735       21.9747427181       12.6043016813
  C         7.0854295167       21.0122943535       12.9483334042
  C         8.4041216507       22.1124897545       11.1581135724
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  F         9.3803664159       23.0321774950       10.9267683233
  F         7.3248094598       22.5146453322       10.4080970660
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  F         7.6876779021       24.3577638675       16.5044537917
  F         9.2705588922       22.8896126874       17.0028584450
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  C         4.0526792127       17.9793486117       13.2696462905
  C         3.0834381669       17.6953639912       12.2963020050
  C         2.5594218482       18.7114569759       11.4963008995
  C         3.0183019525       20.0179500059       11.7027996578
  C         3.9795434791       20.2952455150       12.6783279060
  C         2.3989035729       21.1147725906       10.8864647071
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  F         1.0899161824       21.3346895962       11.2599780377
  F         3.0363933179       22.3172095140       10.9978285574
  C         2.5088931179       16.3089725741       12.1877257168
  F         1.9323881971       16.0520008711       10.9844760474
  F         3.4285184826       15.3141540444       12.3964448396
  F         1.5223647564       16.1209836965       13.1305993918
  H         4.4378975993       17.9896036316       16.6729604656
  H         4.6049753679       22.1377688422       15.5599290751
  H         2.3051811920       20.9296021597       18.9867948496
  H         6.9835826980       18.9481699388       17.0364739368
  H         9.3801314886       15.6474079488       15.6731315224
  H         6.6612686046       17.5961729439       12.9666131451
  H         6.9128329962       21.6118380263       16.2741285354
  H         9.3148101459       23.5818912525       13.2948024720
  H         6.6828888733       20.3760435566       12.1619674217
  H         4.4306829769       17.1600249611       13.8798600747
  H         1.8069164512       18.4930746646       10.7429470844
  H         4.2987822144       21.3268815208       12.8153534223
  F        15.6181458296        1.2756225629       -0.2930379941
  C        15.6623936719        1.6683381676        1.0286620678
  F        16.9916570503        1.8962466152        1.3186386575
  F        15.0494588601        2.8841533707        1.1009668017
  C        15.0741570052        0.6115721460        1.9257632714
  C        14.2266678172        0.9238338383        2.9954241053
  C        13.7311366627       -0.0718194826        3.8661358789
  C        14.1719348330       -1.3839406426        3.6318380458
  C        15.0056348058       -1.7035909620        2.5561318390
  C        15.4599571632       -0.7134257757        1.6846127472
  C        15.4679957790       -3.1193945629        2.3836401689
  F        16.0486893859       -3.3178424025        1.1714873415
  F        14.4479251395       -4.0414900367        2.4965809153
  F        16.4093174513       -3.4514022740        3.3547856762
  B        12.7873512058        0.2699799240        5.1593551136
  C        11.7362730074        1.4819456151        4.8462559617
  C        11.1264751674        1.5943312195        3.5817185864
  C        10.1465287393        2.5549324940        3.3194965951
  C         9.7321891652        3.4548133876        4.3062107758
  C        10.3178807044        3.3522147736        5.5654801384
  C        11.2913930403        2.3788244079        5.8316824977
  C         9.9543796480        4.3107625436        6.6595463535
  F        11.0918863782        4.8778529843        7.1885515295
  F         9.1363009938        5.3317945060        6.2381389960
  F         9.3075231104        3.6818054736        7.6993397117
  C         9.6233165681        2.7195355793        1.9282986016
  F         9.4969910374        1.5335986267        1.2494246952
  F         8.4027881292        3.3409604630        1.9037606724
  F        10.4693876866        3.4756613659        1.1638109243
  C        11.7859857948       -0.9647019387        5.5516692522
  C        11.2458867630       -1.8407359360        4.5922866030
  C        10.2916081487       -2.8077740528        4.9270932492
  C         9.8236798603       -2.9377246775        6.2376307803
  C        10.3410586304       -2.0711950549        7.1990866304
  C        11.2994502716       -1.1080131445        6.8624521487
  C         9.9456931917       -2.1878657497        8.6397536497
  F         9.5857172325       -0.9741431937        9.1688311384
  F         8.9074011010       -3.0503334748        8.8703503642
  F        11.0138374509       -2.6144857474        9.3930032516
  C         9.7514757800       -3.6987094160        3.8496948859
  F         8.8176315462       -4.5678180233        4.3252842297
  F        10.7197231924       -4.4528296008        3.2285058977
  F         9.1412199387       -2.9678394662        2.8543529836
  C        13.8518582378        0.6105446393        6.3562078922
  C        14.3432159467        1.9092024952        6.5671274734
  C        15.3249059198        2.1851888749        7.5282263873
  C        15.8679536243        1.1713368047        8.3143178533
  C        15.4108123714       -0.1339115495        8.1026255379
  C        14.4284319433       -0.4065682398        7.1453739989
  C        16.0230145295       -1.2293116248        8.9229416424
  F        16.0413248859       -0.8760481201       10.2625127898
  F        17.3294917665       -1.4917668622        8.5810938977
  F        15.3722835255       -2.4175866300        8.8049708209
  C        15.8737319593        3.5763140140        7.6221832812
  F        16.4776023139        3.8575852101        8.8100825891
  F        14.9129995287        4.5290253650        7.4082040764
  F        16.8294244218        3.7877335584        6.6598310091
  H        13.9480115807        1.9642722082        3.1573962287
  H        13.8567782715       -2.1831073003        4.3015158164
  H        16.1094148003       -0.9634352424        0.8501749754
  H        11.4225397718        0.9179412271        2.7809092190
  H         8.9918765790        4.2197281306        4.0923522589
  H        11.7165466606        2.3316398152        6.8332734171
  H        11.5718167134       -1.7720100057        3.5550866591
  H         9.0909848695       -3.6929589672        6.5026780217
  H        11.6732947442       -0.4504034891        7.6460060692
  H        13.9587118046        2.7330205692        5.9679344893
  H        16.6273454738        1.3901883737        9.0607204593
  H        14.1052973056       -1.4375816891        7.0102188975
  H        10.8005765098       11.7749781200        4.7245103601
  H        11.5996730164       10.0547894107        3.1297020124
     646
 i =      127, E =         0.0002660503
 Rh         3.6453250294        0.2400584045        4.8210638457
  P         5.3896760510        0.6384891433        6.2879158404
  C         5.2299830298       -0.3063235965        7.8719513044
  C         4.8380440085       -1.7814551464        7.6617190948
  C         4.5350055849       -2.4419658168        9.0171326345
  C         5.7193981343       -2.3224584954        9.9867341544
  C         6.1855791288       -0.8672934956       10.1421149709
  C         6.4610654616       -0.1972265548        8.7851121380
  C         5.6697141255        2.4059980927        6.8078660374
  C         4.6360382717        2.8223036000        7.8782305400
  C         4.6308549016        4.3318509460        8.1702338844
  C         4.5439327303        5.1643283932        6.8882737896
  C         5.6941569203        4.8037208122        5.9457140998
  C         5.6292021787        3.3192691046        5.5634606668
  C         7.0023342091        0.0946721417        5.5211471712
  C         6.9747772702        0.2313360107        3.9897839215
  P         5.3116115622       -0.2370825543        3.2940460053
  C         5.4714377693       -2.0239018902        2.7912511214
  C         4.3847870165       -2.4022449938        1.7647733467
  C         4.3826192231       -3.9040851020        1.4592245841
  C         4.2465035626       -4.7446947821        2.7307298879
  C         5.3821435407       -4.4230652202        3.7068038649
  C         5.4147535167       -2.9237160901        4.0472266571
  C         5.1260207132        0.7026983908        1.7092884876
  C         4.8452365375        2.2025327075        1.9253645337
  C         4.4303396039        2.8427455709        0.5897258901
  C         5.5007302998        2.6418591301       -0.4945506002
  C         5.8944119464        1.1633862377       -0.6478793964
  C         6.2705377791        0.5167954281        0.6986189818
  C         1.8853069624        0.3170923826        3.4713679997
  C         1.9104012729       -0.9321517814        4.0976758495
  C         1.0772898846       -0.7997648514        5.3869433960
  C         1.9462994748        0.1325744307        6.2581292488
  C         1.9198803093        1.3810070511        5.6355683800
  C         1.0349093622        1.2315269882        4.3815424598
  C        -0.0060762064        0.2030849866        4.9034459761
  H         4.3807879385        0.1897930684        8.3707762385
  H         5.6597531875       -2.3193742542        7.1653619159
  H         3.9680530219       -1.8524419513        6.9914249094
  H         4.2663736823       -3.4977695038        8.8704094093
  H         3.6504792248       -1.9567995170        9.4552200985
  H         5.4423257790       -2.7349339306       10.9678204062
  H         6.5546384049       -2.9360038449        9.6225490991
  H         7.0945258448       -0.8182527606       10.7599516286
  H         5.4075844334       -0.2927108838       10.6690554693
  H         6.7549549284        0.8496448870        8.9369244215
  H         7.3127129997       -0.6907363963        8.2991903811
  H         6.6788828053        2.4599127197        7.2477512580
  H         4.8315253114        2.2777659277        8.8118248733
  H         3.6309721472        2.5182471901        7.5539510357
  H         5.5468635609        4.6066609829        8.7126280144
  H         3.7917024631        4.5602507734        8.8431721196
  H         4.5550218630        6.2348820810        7.1354184611
  H         3.5860543089        4.9793130545        6.3796843859
  H         6.6527681092        5.0203554490        6.4368633678
  H         5.6676389445        5.4137907230        5.0334941560
  H         6.4553472045        3.0670909940        4.8823666890
  H         4.6982613484        3.1259393807        5.0055461427
  H         7.8403173710        0.6570894048        5.9575911206
  H         7.1418916997       -0.9569870123        5.8094456506
  H         7.7673045402       -0.3677586248        3.5185908125
  H         7.1452972375        1.2763722101        3.6951715011
  H         6.4592367647       -2.1402220284        2.3164022578
  H         4.5271992299       -1.8396184824        0.8322508430
  H         3.3950346975       -2.1135041436        2.1430458978
  H         5.3177063040       -4.1698876405        0.9454592984
  H         3.5656760984       -4.1245438460        0.7604802412
  H         4.2399165887       -5.8129149664        2.4739649971
  H         3.2757299534       -4.5440689543        3.2081166085
  H         5.2703795240       -4.9949434796        4.6402774036
  H         6.3432253811       -4.7259615054        3.2662009372
  H         6.2745793759       -2.7128746222        4.6992652617
  H         4.5154052933       -2.6607692998        4.6274244626
  H         4.2116448102        0.2628005890        1.2769012148
  H         5.7493193924        2.6999632823        2.3074485948
  H         4.0621776026        2.3417614672        2.6864629625
  H         4.2271137266        3.9134696213        0.7310742316
  H         3.4829892895        2.3895169677        0.2610536835
  H         6.3928540341        3.2327714746       -0.2406211604
  H         5.1358779608        3.0344490241       -1.4551410746
  H         6.7366035563        1.0656398872       -1.3487569539
  H         5.0516172930        0.6052093523       -1.0862037495
  H         7.1792799606        0.9901297233        1.0916595535
  H         6.5082733344       -0.5445979808        0.5519893427
  H         2.1208556312        0.5329821719        2.4330114856
  H         2.1776174848       -1.8861821938        3.6532429727
  H         0.7593698123       -1.7365687218        5.8506371862
  H         2.2380466259       -0.0836793921        7.2821006779
  H         2.1973526522        2.3372133467        6.0701079427
  H         0.6755162763        2.1613458961        3.9336193045
  H        -0.6258552443        0.5925471498        5.7174491870
  H        -0.6370601388       -0.2057414000        4.1073339704
 Rh        14.7188898626       19.6368964047       14.9747280061
  P        12.9580994066       19.2077713425       13.5257199855
  C        13.1322083136       20.1899143533       11.9613033080
  C        13.5077936209       21.6626552367       12.2126020734
  C        13.8473805183       22.3601424162       10.8849458734
  C        12.6889968476       22.2587805497        9.8828070922
  C        12.2508576914       20.8016260090        9.6739602609
  C        11.9358679487       20.0910767876       11.0031698940
  C        12.6669975159       17.4544665837       12.9635668118
  C        13.6808835679       17.0369782965       11.8768734735
  C        13.6082893545       15.5356297875       11.5574604076
  C        13.7814092365       14.6970063926       12.8265009786
  C        12.6815390070       15.0363342608       13.8367655793
  C        12.7029203560       16.5293220233       14.2008005136
  C        11.3378889406       19.7057044358       14.3210984848
  C        11.4076922231       19.6673328015       15.8590852654
  P        13.0819365609       20.1675748664       16.5085930514
  C        12.9150045124       21.9654275487       16.9582510451
  C        13.9846763514       22.4136668850       17.9764934379
  C        13.9906727541       23.9379859107       18.1783363439
  C        14.0908448211       24.7011226684       16.8538741274
  C        12.9484500017       24.3016490634       15.9177227376
  C        12.9854403105       22.7913370285       15.6553524896
  C        13.3287189135       19.2283107856       18.0865733777
  C        13.6027718840       17.7370907305       17.8064333369
  C        14.0318720379       17.0222521089       19.0961368385
  C        12.9768020644       17.1801582798       20.2017082752
  C        12.6227927232       18.6572615059       20.4441701335
  C        12.2260805055       19.3884138155       19.1456934459
  C        16.4509286850       19.6249618972       16.3529664524
  C        16.4678184055       20.8200713151       15.6265864230
  C        17.3215194881       20.5601335819       14.3697297865
  C        16.4422723237       19.5827302981       13.5586162480
  C        16.4210964863       18.3889973072       14.2820027183
  C        17.2897031915       18.6170737359       15.5366399265
  C        18.3692630363       19.5736549786       14.9564615951
  H        14.0016265410       19.7100646739       11.4808911850
  H        12.6654091377       22.1830629626       12.6922537555
  H        14.3553379496       21.7228042938       12.9125414543
  H        14.1042588783       23.4126082412       11.0697958448
  H        14.7480044345       21.8931451299       10.4589303018
  H        12.9820936771       22.7061185957        8.9214468651
  H        11.8360855327       22.8482716719       10.2476684059
  H        11.3660142041       20.7565934260        9.0218675050
  H        13.0564086522       20.2537910213        9.1600794577
  H        11.6642283898       19.0451650663       10.8115012135
  H        11.0588350997       20.5582413473       11.4694869284
  H        11.6559666072       17.4221957889       12.5253490078
  H        13.5029566624       17.6149977745       10.9600013812
  H        14.7021437759       17.2834199437       12.2025246302
  H        12.6367365929       15.3008591841       11.0984386397
  H        14.3752834260       15.2856615105       10.8104491508
  H        13.7733535124       13.6256472294       12.5815495300
  H        14.7675849068       14.8966842873       13.2724752722
  H        11.7037128341       14.7625777564       13.4169339671
  H        12.8019553541       14.4529933043       14.7596393566
  H        11.8571908148       16.7639399272       14.8651984673
  H        13.6157252666       16.7468597968       14.7783813094
  H        10.5325917690       19.0533607948       13.9527093518
  H        11.1052317395       20.7204394493       13.9691310661
  H        10.6262446705       20.2963282576       16.3095019429
  H        11.2402763321       18.6436980105       16.2224531003
  H        11.9180464472       22.0989189721       17.4084288974
  H        13.8154155428       21.9215236631       18.9444771387
  H        14.9809448779       22.0924315039       17.6423178156
  H        13.0698323492       24.2397444169       18.6977290762
  H        14.8256648416       24.2078308998       18.8387770709
  H        14.0830297440       25.7825275831       17.0452728211
  H        15.0553379775       24.4918941288       16.3678549074
  H        13.0150659824       24.8320204582       14.9573232328
  H        11.9834259137       24.5797226016       16.3643742533
  H        12.1706876036       22.5019282475       14.9770139312
  H        13.9224053690       22.5385564077       15.1328422554
  H        14.2562081430       19.6668942158       18.4923534285
  H        12.6907999921       17.2621431697       17.4142514387
  H        14.3714201240       17.6338027957       17.0244019666
  H        14.2138833021       15.9583513507       18.8860379375
  H        14.9923878087       17.4392728109       19.4346873675
  H        12.0692676961       16.6269864536       19.9185568153
  H        13.3368344514       16.7224850801       21.1345313915
  H        11.7994855643       18.7334550798       21.1699123474
  H        13.4888813006       19.1688711260       20.8934762675
  H        11.2854743602       18.9698678713       18.7634003632
  H        12.0358899175       20.4485274594       19.3558688242
  H        16.2014201478       19.5043515953       17.4029623748
  H        16.2158412388       21.8128013071       15.9890494077
  H        17.6743657421       21.4463473329       13.8369479202
  H        16.1721479349       19.7204145497       12.5159009229
  H        16.1170804000       17.4089181389       13.9250156382
  H        17.6120224971       17.7180844078       16.0676767877
  H        18.9967866584       19.1037743179       14.1913348855
  H        18.9939576497       20.0310692116       15.7326460455
 Rh         5.9577261186       10.0608162325       14.9867045915
  P         4.1629401491        9.5984553806       13.5989849412
  C         3.7944832233        7.8470201308       13.0864713496
  C         3.7213546535        6.9214318553       14.3200320506
  C         3.6749261816        5.4361972224       13.9246631910
  C         4.8649768420        5.0701788084       13.0350641818
  C         4.8061234146        5.8916265058       11.7467022064
  C         4.8393751839        7.3967952581       12.0471033906
  C         2.5816525048       10.2059503958       14.3736341950
  C         2.6510625688       10.1105188512       15.9043710813
  P         4.3330715139       10.6064249390       16.5326717623
  C         4.1484456742       12.3824917216       17.0417906599
  C         4.0095823509       13.2688152157       15.7842555773
  C         4.0809010340       14.7688484952       16.1062431973
  C         5.3722747646       15.0883662106       16.8630923905
  C         5.4096136114       14.2995032813       18.1735825442
  C         5.3380423423       12.7878781039       17.9358200956
  C         4.5712587267        9.6662569326       18.1086544969
  C         4.9170897483        8.1889531835       17.8400958039
  C         5.2108488477        7.4632554303       19.1604009189
  C         4.0211914225        7.5702011105       20.1250352412
  C         3.3907630965        9.8054589501       19.0834234165
  C         3.6590060520        9.0393285527       20.3903421619
  C         4.3621819524       10.5529145589       12.0237850089
  C         4.7069927516       12.0314744623       12.2882194039
  C         5.0180814713       12.7606827324       10.9710119198
  C         3.8723897167       12.6197943331        9.9583468520
  C         3.4938957403       11.1491193491        9.7325681481
  C         3.1795065233       10.4289328519       11.0549943983
  C         7.7918403983       11.1865608241       15.5529001041
  C         7.5778643264        8.6906859755       14.3554785567
  C         8.4758048287        8.9361443386       15.5857278432
  C         9.6053188768        9.7847648868       14.9389482350
  C         8.6141230801       10.8019053666       14.3064988934
  C         7.7141546575       10.0420139934       16.3493745610
  C         7.6629297264        9.8379066307       13.5621042016
  H         2.8029594278        7.8616541333       12.6042754158
  H         4.6000038826        7.0946453628       14.9608736296
  H         2.8384579811        7.1746456206       14.9260191842
  H         2.7437179811        5.2180627767       13.3841587298
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  F        11.2166291281        9.0173542050       20.2225620323
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  C        13.2437055350       10.3742678693       16.0778334420
  C        12.7641251176        9.4024630637       16.9818166956
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  C        15.7629464827       12.0570583853       15.2248328988
  C        16.7011988464       13.0216196415       14.8370163592
  C        17.0862282016       13.1515546314       13.4976219991
  C        16.5062159796       12.2872403387       12.5610024212
  C        15.5679972317       11.3280483874       12.9599548542
  C        16.8417952554       12.3976233250       11.0968951827
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  F        15.7545425982       12.8159192836       10.3461730939
  F        17.2355447522       11.1907277059       10.5612847660
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  F        18.1483318540       14.8385881191       15.4057338327
  F        17.8386052421       13.2541135212       16.9335724195
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  C        11.4656422642       10.4122206855       11.8798365028
  C        11.0425103156        9.1069156060       11.6287564578
  C        11.6014005546        8.0756360325       12.3848919520
  C        12.5760725769        8.3412667233       13.3528760434
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  F        11.9226790584        5.6913262312       12.4652983579
  F        10.0062435658        6.4974502058       13.1312935718
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  F        10.6238010946       12.6602360642       11.7444523014
  F        11.7673043115       11.8872261296       10.0448168999
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  C        15.8563092554        8.5669414629       16.2866719406
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  C        17.1161521046        6.6697167449       15.4305786680
  C        16.4816453209        6.8327120723       14.2067588099
  C        15.5580096547        7.8652492810       14.0131106674
  C        17.4840907398        7.2669868717       17.7701552141
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  F        16.7938225209        6.3146887049       18.4806857881
  F        18.7590518690        6.7894103004       17.5408999513
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  F        10.4813168629       13.7338542071       16.4319859339
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  F        17.3766502548        6.5265946384       12.0281396227
  F        15.6573368295        5.2684732014       12.6115443587
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  H        10.7459099444       11.2949263262       18.9991107985
  H        13.0882368944       12.4723513786       15.5907501913
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  H        17.8276572993        5.8654373331       15.5843971310
  H        15.1099853351        7.9803154711       13.0285532441
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  F         3.3601435599       17.0876370021       18.6306015324
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  C         4.1823353080       19.0336132460       16.8415391744
  C         4.6938922111       20.0199866555       15.9731170115
  C         4.2766582194       21.3386768781       16.2237704393
  C         3.4392135134       21.6640440260       17.2989613751
  C         2.9661607494       20.6786521678       18.1615431468
  C         2.9234953875       23.0647508632       17.4350210050
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  F         3.9024900625       24.0238064759       17.3050818850
  F         1.9923819728       23.2934636501       16.4315334204
  B         5.6119993414       19.6374554106       14.6721933710
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  C         7.2673474793       18.2785380704       16.2260862912
  C         8.2432174919       17.3083780726       16.4686012490
  C         8.6437929341       16.4187955409       15.4713096456
  C         8.0500018858       16.5421865099       14.2157941301
  C         7.0851494654       17.5266767875       13.9673938439
  C         8.4236099118       15.5965479126       13.1144584368
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  F         9.2158132345       14.5688765007       13.5620473003
  F         9.1081966772       16.2277059038       12.1008011714
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  F        10.0144476852       16.5639579314       17.8928113361
  F         7.9539042752       16.3794034103       18.6302780025
  C         6.6329535406       20.8503601554       14.2679233662
  C         7.2129956509       21.6980116589       15.2306236188
  C         8.1644178354       22.6660060298       14.8894952882
  C         8.5915957195       22.8198954397       13.5671206034
  C         8.0396819776       21.9748994087       12.6041044848
  C         7.0855770312       21.0123422487       12.9483632070
  C         8.4041216022       22.1123624000       11.1581173225
  F         8.8235096573       20.9056927999       10.6313097480
  F         9.3802911090       23.0321547091       10.9270277879
  F         7.3247010547       22.5146909115       10.4081420860
  C         8.6820670325       23.5849900896       15.9564463460
  F         9.6016081255       24.4689194555       15.4764604270
  F         7.6876396775       24.3577759629       16.5044915955
  F         9.2704873603       22.8896368426       17.0028337803
  C         4.5422173258       19.2821573350       13.4806084379
  C         4.0527678340       17.9793124210       13.2698114129
  C         3.0835240053       17.6953420694       12.2964450607
  C         2.5596078010       18.7115139462       11.4965265811
  C         3.0182766523       20.0180606913       11.7028277253
  C         3.9795817523       20.2953796753       12.6784251210
  C         2.3990444299       21.1148251494       10.8866645307
  F         2.3718826189       20.7825529920        9.5416966086
  F         1.0898657234       21.3346653472       11.2602007038
  F         3.0363429967       22.3171398644       10.9980881853
  C         2.5088492890       16.3089195664       12.1876870047
  F         1.9323095907       16.0519672842       10.9844432780
  F         3.4285185119       15.3141699174       12.3965390110
  F         1.5223857684       16.1210093976       13.1306504115
  H         4.4381860775       17.9880846074       16.6727344023
  H         4.6050287117       22.1371752285       15.5605567929
  H         2.3052262891       20.9292660665       18.9862250105
  H         6.9834534338       18.9479130662       17.0365140413
  H         9.3804977298       15.6474455900       15.6730796421
  H         6.6611086138       17.5959526805       12.9667944132
  H         6.9130643070       21.6115676885       16.2741080770
  H         9.3145208851       23.5819774448       13.2947741611
  H         6.6828518839       20.3758017018       12.1618519838
  H         4.4305725341       17.1601023854       13.8797569482
  H         1.8066204743       18.4930241763       10.7427773584
  H         4.2986934078       21.3267490319       12.8153773313
  F        15.6191056955        1.2745794732       -0.2929204383
  C        15.6622385113        1.6684805047        1.0283065346
  F        16.9914516552        1.8962342177        1.3186016653
  F        15.0495712710        2.8843885793        1.1020891136
  C        15.0742607203        0.6118511578        1.9257470423
  C        14.2265310848        0.9237797556        2.9952376407
  C        13.7307547796       -0.0716950612        3.8662193747
  C        14.1717685047       -1.3838960088        3.6315407435
  C        15.0056856841       -1.7039197687        2.5560687859
  C        15.4602267417       -0.7134049229        1.6846089233
  C        15.4681968918       -3.1196404350        2.3839105996
  F        16.0486529148       -3.3176928613        1.1713656028
  F        14.4479118977       -4.0413344511        2.4965109787
  F        16.4091053787       -3.4510924637        3.3546102160
  B        12.7873779005        0.2700625709        5.1592061693
  C        11.7363069237        1.4820047000        4.8461446854
  C        11.1264272094        1.5945865246        3.5816936488
  C        10.1465018072        2.5551311506        3.3196669282
  C         9.7320293637        3.4550022760        4.3060080859
  C        10.3178777214        3.3521452573        5.5650955464
  C        11.2914500794        2.3788525388        5.8315780797
  C         9.9535072602        4.3106882476        6.6596536867
  F        11.0928070354        4.8786143220        7.1889360129
  F         9.1364519412        5.3316893668        6.2380157350
  F         9.3073759396        3.6816190408        7.6990334965
  C         9.6234502528        2.7195142295        1.9284794318
  F         9.4966816954        1.5337693535        1.2493179937
  F         8.4027146308        3.3407510337        1.9035085228
  F        10.4693663895        3.4757220885        1.1636724096
  C        11.7858310910       -0.9645707265        5.5514711782
  C        11.2456028683       -1.8405288729        4.5921946880
  C        10.2916210983       -2.8076451890        4.9269520453
  C         9.8237138082       -2.9378141975        6.2376625527
  C        10.3410605413       -2.0711479872        7.1991557468
  C        11.2993166374       -1.1079651509        6.8623905477
  C         9.9456641082       -2.1878849798        8.6397725394
  F         9.5858680294       -0.9740492979        9.1687737007
  F         8.9074048543       -3.0504006861        8.8702512676
  F        11.0138909492       -2.6144525592        9.3929741576
  C         9.7514481936       -3.6986954131        3.8496847468
  F         8.8176210643       -4.5678484312        4.3252711304
  F        10.7197277646       -4.4528150991        3.2285070489
  F         9.1412374281       -2.9678299247        2.8543416542
  C        13.8516573134        0.6100240546        6.3559837225
  C        14.3433519515        1.9091850779        6.5671188719
  C        15.3254623853        2.1858706384        7.5283596993
  C        15.8677506917        1.1716194257        8.3137086673
  C        15.4107589884       -0.1340362120        8.1024575787
  C        14.4281334335       -0.4068814258        7.1451315824
  C        16.0232160101       -1.2296322237        8.9231096849
  F        16.0413002842       -0.8758354526       10.2625517835
  F        17.3295379513       -1.4915693280        8.5808684060
  F        15.3720461276       -2.4176414609        8.8047457807
  C        15.8733825531        3.5756844196        7.6230624136
  F        16.4766575811        3.8578102865        8.8088331459
  F        14.9141889974        4.5287993583        7.4083877267
  F        16.8294365457        3.7883988678        6.6597181176
  H        13.9477475813        1.9641832309        3.1571248274
  H        13.8563019727       -2.1832898062        4.3012226334
  H        16.1098791346       -0.9633625998        0.8505087180
  H        11.4226344385        0.9180458162        2.7807197908
  H         8.9920661669        4.2196524100        4.0923941790
  H        11.7166134384        2.3316652360        6.8332726531
  H        11.5713018410       -1.7716168398        3.5549854971
  H         9.0911896727       -3.6931441686        6.5027334141
  H        11.6732165301       -0.4502557808        7.6459641059
  H        13.9586646728        2.7331726132        5.9676343894
  H        16.6277927913        1.3901799313        9.0605146298
  H        14.1052263456       -1.4371978797        7.0102939905
  H        10.8003461871       11.7752345792        4.7232711775
  H        11.5992588864       10.0541775323        3.1295159397
     646
 i =      128, E =         0.0040556015
 Rh         3.6455643718        0.2401329396        4.8211220986
  P         5.3898013608        0.6385049144        6.2880446376
  C         5.2300281397       -0.3065961913        7.8719609413
  C         4.8383662054       -1.7817695552        7.6614220808
  C         4.5349887777       -2.4424050301        9.0167190953
  C         5.7193137299       -2.3231351621        9.9864292193
  C         6.1854526835       -0.8679759410       10.1421552924
  C         6.4609422275       -0.1974859292        8.7853236387
  C         5.6696805861        2.4060235078        6.8080743406
  C         4.6358034197        2.8224754226        7.8781592464
  C         4.6314793788        4.3319755774        8.1703801488
  C         4.5441853603        5.1645072561        6.8884798633
  C         5.6938829142        4.8037646227        5.9453200834
  C         5.6293179270        3.3191496196        5.5635433827
  C         7.0024984248        0.0948301854        5.5212460714
  C         6.9749482338        0.2314860268        3.9898494114
  P         5.3117623775       -0.2370955584        3.2941753005
  C         5.4719670049       -2.0238850872        2.7914274283
  C         4.3855772578       -2.4022624041        1.7646806613
  C         4.3828261701       -3.9041955049        1.4595634983
  C         4.2467491670       -4.7445344801        2.7312505900
  C         5.3826887353       -4.4229698733        3.7069966892
  C         5.4151790332       -2.9236215368        4.0474449227
  C         5.1256344075        0.7025191612        1.7093611479
  C         4.8446620520        2.2022948714        1.9255066371
  C         4.4302996215        2.8428404685        0.5898650065
  C         5.5011108263        2.6421326594       -0.4940165250
  C         5.8941259585        1.1635367048       -0.6478188460
  C         6.2699451243        0.5164155229        0.6985127464
  C         1.8855150153        0.3171426902        3.4713958365
  C         1.9105466942       -0.9319660478        4.0978976652
  C         1.0774631013       -0.7992409811        5.3871607466
  C         1.9466138046        0.1329483432        6.2584458328
  C         1.9202606792        1.3818400871        5.6353010540
  C         1.0352485219        1.2317830785        4.3814065479
  C        -0.0058315840        0.2035748753        4.9035297505
  H         4.3806569111        0.1892949581        8.3706919804
  H         5.6603586318       -2.3195475744        7.1653750619
  H         3.9686266742       -1.8528731655        6.9908036620
  H         4.2662231009       -3.4981498130        8.8698582828
  H         3.6504714709       -1.9571390948        9.4547351062
  H         5.4421987023       -2.7358154213       10.9674149254
  H         6.5545522077       -2.9366030977        9.6221358863
  H         7.0944101455       -0.8190747972       10.7599889674
  H         5.4074389663       -0.2935793854       10.6692632144
  H         6.7545527682        0.8494034291        8.9374746535
  H         7.3127592262       -0.6906704535        8.2993894855
  H         6.6787380028        2.4600049504        7.2482247992
  H         4.8305626290        2.2775862700        8.8116868459
  H         3.6306742201        2.5191380091        7.5533675082
  H         5.5479378530        4.6062685270        8.7122673293
  H         3.7928169381        4.5607451034        8.8437890150
  H         4.5556632123        6.2350526752        7.1356389014
  H         3.5859895620        4.9797454913        6.3803981805
  H         6.6527527243        5.0210212231        6.4356696037
  H         5.6664498432        5.4134075611        5.0328225902
  H         6.4557099904        3.0670454809        4.8827345663
  H         4.6985867502        3.1254595420        5.0054156127
  H         7.8404677379        0.6572701992        5.9576926445
  H         7.1420996143       -0.9568225196        5.8095249060
  H         7.7674585993       -0.3676800304        3.5187313151
  H         7.1455315354        1.2764924448        3.6952015844
  H         6.4599129960       -2.1400726548        2.3168636523
  H         4.5287136583       -1.8400708964        0.8320085141
  H         3.3958050488       -2.1128595335        2.1423776149
  H         5.3176852784       -4.1704667721        0.9456485424
  H         3.5656472261       -4.1245205235        0.7610540799
  H         4.2398578805       -5.8127931870        2.4746758073
  H         3.2761577261       -4.5435967731        3.2088657467
  H         5.2713076184       -4.9949091745        4.6404680974
  H         6.3436617127       -4.7257003683        3.2660492221
  H         6.2749034870       -2.7126908552        4.6995860590
  H         4.5157327425       -2.6607661231        4.6275208396
  H         4.2111981315        0.2624455316        1.2772940683
  H         5.7484737669        2.6997664480        2.3081360864
  H         4.0612239073        2.3412560165        2.6862656946
  H         4.2270900073        3.9135395036        0.7314247792
  H         3.4830625482        2.3897780664        0.2606478532
  H         6.3933924091        3.2324822084       -0.2393113040
  H         5.1369360503        3.0353796947       -1.4545818153
  H         6.7363034400        1.0655850763       -1.3486745313
  H         5.0510730838        0.6059226437       -1.0863428295
  H         7.1790038705        0.9890923835        1.0915830534
  H         6.5070249166       -0.5450753915        0.5515736239
  H         2.1210771279        0.5328343198        2.4330036497
  H         2.1777143368       -1.8861089252        3.6536208011
  H         0.7595024544       -1.7359688459        5.8511281906
  H         2.2383092910       -0.0828495870        7.2821004845
  H         2.1978343112        2.3376518142        6.0695947941
  H         0.6759175682        2.1616044728        3.9333142699
  H        -0.6254985764        0.5932804653        5.7175351312
  H        -0.6369171508       -0.2053292577        4.1075781543
 Rh        14.7189745814       19.6369473921       14.9746951684
  P        12.9583246646       19.2078945235       13.5256404227
  C        13.1324581085       20.1899711604       11.9611961871
  C        13.5079638703       21.6627275988       12.2126229721
  C        13.8473680706       22.3603620503       10.8849700333
  C        12.6888586929       22.2590503615        9.8829667983
  C        12.2505852119       20.8019362065        9.6740807754
  C        11.9359240824       20.0912147080       11.0032903416
  C        12.6673950518       17.4544370898       12.9638722357
  C        13.6814100562       17.0369812620       11.8772910308
  C        13.6086892525       15.5356896546       11.5576014476
  C        13.7812302915       14.6966799795       12.8264759991
  C        12.6815078084       15.0363508302       13.8367929339
  C        12.7035391101       16.5292665661       14.2010719873
  C        11.3381774376       19.7063401279       14.3206720007
  C        11.4076334866       19.6670369889       15.8586420693
  P        13.0817279374       20.1674682589       16.5083698695
  C        12.9144796690       21.9652184350       16.9582686830
  C        13.9845930167       22.4130763494       17.9761741954
  C        13.9904726319       23.9372248411       18.1787136576
  C        14.0911192953       24.7006043364       16.8544592462
  C        12.9485639304       24.3019003312       15.9181539636
  C        12.9842648411       22.7915465107       15.6555683081
  C        13.3286825321       19.2283360381       18.0863620384
  C        13.6030374280       17.7371476535       17.8064342367
  C        14.0316365238       17.0223469733       19.0963174975
  C        12.9762256711       17.1803924348       20.2015286568
  C        12.6227227747       18.6575973302       20.4439796901
  C        12.2260598541       19.3885952622       19.1454438530
  C        16.4512223785       19.6248777186       16.3526308762
  C        16.4679985334       20.8197392367       15.6267098238
  C        17.3214550448       20.5602658618       14.3695628584
  C        16.4420978642       19.5827604875       13.5586727217
  C        16.4210486845       18.3894057567       14.2816105701
  C        17.2898385397       18.6169297049       15.5362221010
  C        18.3692968431       19.5736142229       14.9559486824
  H        14.0018218469       19.7102109138       11.4806311750
  H        12.6655816123       22.1830290123       12.6923906901
  H        14.3555669276       21.7228955408       12.9124776081
  H        14.1041731680       23.4128211053       11.0699145138
  H        14.7479852690       21.8934707859       10.4588346391
  H        12.9818892539       22.7063772073        8.9215825296
  H        11.8360460594       22.8485944986       10.2479245389
  H        11.3655310171       20.7570564955        9.0222705346
  H        13.0559335072       20.2541001238        9.1598886255
  H        11.6642631325       19.0453124144       10.8115741006
  H        11.0589934888       20.5583208388       11.4698721534
  H        11.6563611931       17.4219338387       12.5256748137
  H        13.5037698825       17.6151566869       10.9604737575
  H        14.7026272917       17.2832557763       12.2032250184
  H        12.6372612725       15.3012028220       11.0981730297
  H        14.3759172309       15.2857563980       10.8108149334
  H        13.7725430152       13.6254020245       12.5812006968
  H        14.7674907697       14.8956277823       13.2725791746
  H        11.7035412260       14.7631429052       13.4169110141
  H        12.8016349602       14.4527477592       14.7595411339
  H        11.8581724287       16.7640372607       14.8658726531
  H        13.6166679642       16.7464677774       14.7782973152
  H        10.5324389604       19.0549456663       13.9515866264
  H        11.1065519303       20.7215287417       13.9693053819
  H        10.6259589506       20.2955811215       16.3092785223
  H        11.2404177360       18.6431336980       16.2213665073
  H        11.9177227909       22.0984282466       17.4089790836
  H        13.8159713096       21.9203256744       18.9439594917
  H        14.9807190570       22.0921862691       17.6412321285
  H        13.0694270736       24.2387538480       18.6978852119
  H        14.8252268850       24.2068443019       18.8395497266
  H        14.0838334302       25.7819944999       17.0460078109
  H        15.0555609641       24.4909426850       16.3685333255
  H        13.0157845935       24.8321984230       14.9577448258
  H        11.9837054964       24.5808130936       16.3646405832
  H        12.1685628864       22.5029677671       14.9779835950
  H        13.9204995003       22.5382021075       15.1320496339
  H        14.2561447863       19.6671084771       18.4920360784
  H        12.6913544042       17.2620346413       17.4137830133
  H        14.3720963624       17.6339725647       17.0247669333
  H        14.2136729038       15.9584272880       18.8863177140
  H        14.9920529484       17.4393177506       19.4352303158
  H        12.0685622164       16.6276564982       19.9179237348
  H        13.3357111880       16.7224104849       21.1344082684
  H        11.7995755031       18.7341808844       21.1698606056
  H        13.4890792398       19.1689740216       20.8930549018
  H        11.2854356096       18.9700321296       18.7632066626
  H        12.0359023235       20.4487564818       19.3554462015
  H        16.2017735875       19.5038921113       17.4028845031
  H        16.2160598723       21.8126836286       15.9893200195
  H        17.6742035824       21.4465228609       13.8368945651
  H        16.1717884363       19.7208172378       12.5156967260
  H        16.1169192704       17.4089629764       13.9245569847
  H        17.6122560619       17.7178991562       16.0669906903
  H        18.9966040894       19.1038354574       14.1905745985
  H        18.9942066162       20.0308799434       15.7320416512
 Rh         5.9574012051       10.0607428830       14.9867471929
  P         4.1628628945        9.5987716267       13.5986547579
  C         3.7950625503        7.8471588555       13.0863395960
  C         3.7223383963        6.9218949775       14.3201357919
  C         3.6754226739        5.4365919198       13.9250706445
  C         4.8650614403        5.0700384230       13.0350925271
  C         4.8065087997        5.8916863868       11.7468152849
  C         4.8402587750        7.3968448978       12.0473480251
  C         2.5814360488       10.2058236776       14.3734384158
  C         2.6508015536       10.1103661010       15.9042032891
  P         4.3327609998       10.6061870396       16.5327784312
  C         4.1485378752       12.3823450671       17.0416840927
  C         4.0100225711       13.2685271482       15.7840096892
  C         4.0810674360       14.7685950676       16.1058603175
  C         5.3720764574       15.0884582937       16.8631748147
  C         5.4094409882       14.2993977169       18.1735399121
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  F        10.6237225796       12.6602856726       11.7445618599
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  F         3.3605285488       17.0876591204       18.6301327405
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  C         4.6940405428       20.0201790814       15.9729658424
  C         4.2768972758       21.3387497159       16.2237403773
  C         3.4392012710       21.6640201476       17.2989564228
  C         2.9660166323       20.6787200302       18.1613447467
  C         2.9234334649       23.0647995183       17.4351010083
  F         2.2994804769       23.2917336039       18.6245297029
  F         3.9025744507       24.0237954731       17.3050070517
  F         1.9923684178       23.2934344267       16.4314493111
  B         5.6119496219       19.6373429479       14.6723557483
  C         6.6501704520       18.4114377471       14.9701005461
  C         7.2672465298       18.2783273209       16.2261410133
  C         8.2431500046       17.3084396536       16.4686371262
  C         8.6440006081       16.4188100210       15.4712934465
  C         8.0499542051       16.5421797036       14.2157616988
  C         7.0850380881       17.5264697212       13.9674846008
  C         8.4236228044       15.5965329283       13.1144520642
  F         7.3129046919       15.0303392875       12.5393747384
  F         9.2158060666       14.5688603580       13.5620507535
  F         9.1082148974       16.2277141711       12.1008121971
  C         8.7836735327       17.1549832269       17.8521095349
  F         8.9099949830       18.3673600982       18.4839183619
  F        10.0144747882       16.5639533776       17.8928280655
  F         7.9538865567       16.3794026405       18.6302910420
  C         6.6330377706       20.8502059359       14.2679668520
  C         7.2131534569       21.6978051181       15.2306837632
  C         8.1644572096       22.6659775613       14.8895006074
  C         8.5914816992       22.8199709079       13.5671099429
  C         8.0396831307       21.9749059123       12.6040999864
  C         7.0856285881       21.0122281035       12.9484107493
  C         8.4040925919       22.1123496375       11.1581191339
  F         8.8235150520       20.9056713498       10.6313076698
  F         9.3802883949       23.0321555249       10.9270776947
  F         7.3246796285       22.5146844256       10.4081555434
  C         8.6820551600       23.5849610670       15.9564628270
  F         9.6016004150       24.4689155306       15.4764606278
  F         7.6876420701       24.3577655221       16.5044950770
  F         9.2704846068       22.8896313629       17.0028485647
  C         4.5421726437       19.2821610116       13.4806237935
  C         4.0526932842       17.9792661108       13.2697840635
  C         3.0836274147       17.6952827252       12.2965876029
  C         2.5594440019       18.7114564093       11.4964148532
  C         3.0184059962       20.0182103258       11.7029863792
  C         3.9794754935       20.2952611129       12.6784041403
  C         2.3990030795       21.1148179710       10.8866203596
  F         2.3718553385       20.7825193711        9.5417089608
  F         1.0898592599       21.3346605807       11.2601930994
  F         3.0363683279       22.3171377546       10.9981761780
  C         2.5088332903       16.3089206743       12.1877010404
  F         1.9322722992       16.0519443868       10.9844097784
  F         3.4285227334       15.3141715166       12.3965528845
  F         1.5223970375       16.1210184441       13.1306490523
  H         4.4381497227       17.9878713290       16.6727025178
  H         4.6053093566       22.1370829948       15.5609500812
  H         2.3048261274       20.9291829271       18.9860142284
  H         6.9832294330       18.9476433596       17.0366315721
  H         9.3808130883       15.6477000570       15.6729585199
  H         6.6608319653       17.5956703429       12.9668927965
  H         6.9133681562       21.6112146730       16.2742203134
  H         9.3141923144       23.5821505866       13.2947373578
  H         6.6829146497       20.3756282544       12.1618657801
  H         4.4305273517       17.1600703741       13.8797627438
  H         1.8065730183       18.4930543832       10.7428810829
  H         4.2986729813       21.3267860820       12.8154656390
  F        15.6192190863        1.2744734247       -0.2929180677
  C        15.6622102567        1.6684694921        1.0282747959
  F        16.9914204958        1.8962873474        1.3186000211
  F        15.0496143082        2.8844318882        1.1022243630
  C        15.0743819589        0.6118081550        1.9256445196
  C        14.2262649254        0.9237716244        2.9951000879
  C        13.7305346859       -0.0716927453        3.8659764897
  C        14.1713973601       -1.3839618295        3.6313584817
  C        15.0057674781       -1.7039043536        2.5558763614
  C        15.4603973127       -0.7133390217        1.6848902581
  C        15.4682439844       -3.1196719874        2.3839454500
  F        16.0486529876       -3.3176668992        1.1713223056
  F        14.4478737724       -4.0413447293        2.4965051620
  F        16.4090737844       -3.4510548235        3.3545713154
  B        12.7872204591        0.2701233351        5.1590123176
  C        11.7363834701        1.4820957942        4.8460318585
  C        11.1264989352        1.5947180217        3.5815585033
  C        10.1464546762        2.5553013985        3.3195788955
  C         9.7320793467        3.4550547669        4.3059406286
  C        10.3178242521        3.3523176995        5.5650720640
  C        11.2914893655        2.3789146217        5.8314613390
  C         9.9536886094        4.3107505841        6.6597192759
  F        11.0926749784        4.8785289910        7.1887277368
  F         9.1364207914        5.3317196013        6.2379801449
  F         9.3072185637        3.6815467937        7.6990323841
  C         9.6234602214        2.7195597434        1.9284480206
  F         9.4966244973        1.5338549813        1.2493477569
  F         8.4027225139        3.3406676005        1.9034715071
  F        10.4693493027        3.4757426408        1.1636458486
  C        11.7855790612       -0.9643828251        5.5513612474
  C        11.2452893109       -1.8401866504        4.5919981505
  C        10.2914511620       -2.8076122724        4.9269937556
  C         9.8238808656       -2.9378268440        6.2376193437
  C        10.3409888544       -2.0711975458        7.1991344875
  C        11.2992434801       -1.1077898672        6.8622681587
  C         9.9456705918       -2.1878739226        8.6397792520
  F         9.5859016151       -0.9740336080        9.1687658660
  F         8.9074161622       -3.0504138061        8.8702207251
  F        11.0139053658       -2.6144489522        9.3929662217
  C         9.7514239849       -3.6986756056        3.8496516331
  F         8.8176248316       -4.5678524022        4.3252634033
  F        10.7197222087       -4.4528205246        3.2285099297
  F         9.1412199837       -2.9678294802        2.8543140987
  C        13.8517112461        0.6101103585        6.3558495732
  C        14.3434876991        1.9091087612        6.5670440183
  C        15.3252471960        2.1857964862        7.5279077699
  C        15.8681452594        1.1715727862        8.3136672270
  C        15.4105936501       -0.1340407175        8.1021056118
  C        14.4281409336       -0.4068120517        7.1451356462
  C        16.0232301223       -1.2296308265        8.9230689739
  F        16.0413294526       -0.8758094587       10.2625901875
  F        17.3296319797       -1.4915953085        8.5808694591
  F        15.3719953001       -2.4177490386        8.8047234482
  C        15.8734369307        3.5756487235        7.6227713265
  F        16.4768203783        3.8579575055        8.8090004497
  F        14.9142552222        4.5288028110        7.4083424902
  F        16.8293394880        3.7884299780        6.6597717539
  H        13.9473898441        1.9640613837        3.1567547811
  H        13.8557053051       -2.1834056279        4.3007166537
  H        16.1105724839       -0.9632855806        0.8508641433
  H        11.4226856777        0.9183252707        2.7805930646
  H         8.9920582231        4.2198033748        4.0923553076
  H        11.7166573172        2.3317219174        6.8331959862
  H        11.5706154124       -1.7710851310        3.5548112791
  H         9.0914366415       -3.6934287767        6.5028134557
  H        11.6730823733       -0.4501002021        7.6458538253
  H        13.9586909471        2.7331577609        5.9673793739
  H        16.6280262887        1.3900469225        9.0598840998
  H        14.1049412535       -1.4372707722        7.0103151023
  H        10.8000128179       11.7755700030        4.7215678929
  H        11.5988340525       10.0533466693        3.1292141025
     646
 i =      129, E =         0.0008481070
 Rh         3.6457053549        0.2402127444        4.8212185702
  P         5.3899082164        0.6385077451        6.2882022821
  C         5.2300458123       -0.3067871923        7.8718935443
  C         4.8386153652       -1.7820844586        7.6611550417
  C         4.5349479685       -2.4427843675        9.0163427116
  C         5.7192430205       -2.3237118137        9.9861784613
  C         6.1853513009       -0.8685393420       10.1422120770
  C         6.4608740167       -0.1977007633        8.7855516015
  C         5.6696547823        2.4060464971        6.8082510401
  C         4.6356068684        2.8226182060        7.8781028718
  C         4.6320218199        4.3320809971        8.1705245724
  C         4.5444295002        5.1646600864        6.8886408040
  C         5.6936553717        4.8038144654        5.9449896766
  C         5.6294193613        3.3190610190        5.5636253783
  C         7.0026540425        0.0949575243        5.5213305729
  C         6.9750822874        0.2316111125        3.9899071726
  P         5.3119124667       -0.2370890508        3.2942660599
  C         5.4723976562       -2.0238615255        2.7915810293
  C         4.3862690945       -2.4023054060        1.7646225612
  C         4.3830045295       -3.9042934448        1.4598669406
  C         4.2469802134       -4.7443766486        2.7316945833
  C         5.3831595133       -4.4228863720        3.7071744685
  C         5.4155429244       -2.9235566677        4.0476555331
  C         5.1253629325        0.7023547704        1.7094639745
  C         4.8441763726        2.2021260896        1.9255978039
  C         4.4302826294        2.8429166933        0.5900029444
  C         5.5014463726        2.6423652255       -0.4935659017
  C         5.8938901067        1.1636807909       -0.6477621236
  C         6.2694517564        0.5160954751        0.6984087716
  C         1.8856852022        0.3172280868        3.4714373943
  C         1.9106426337       -0.9318403453        4.0981585195
  C         1.0776283197       -0.7988657563        5.3873810780
  C         1.9468320990        0.1338547415        6.2582153747
  C         1.9205880707        1.3817691478        5.6352677382
  C         1.0355001444        1.2320571242        4.3812417635
  C        -0.0055978267        0.2040268937        4.9036413245
  H         4.3805410513        0.1888792458        8.3706291274
  H         5.6608532083       -2.3196742598        7.1653898525
  H         3.9691379417       -1.8532195499        6.9902968412
  H         4.2660981507       -3.4984581156        8.8693800825
  H         3.6504704775       -1.9574369413        9.4543149820
  H         5.4420838819       -2.7365658876       10.9670618182
  H         6.5544685470       -2.9371134400        9.6217838270
  H         7.0942814656       -0.8197783544       10.7600058991
  H         5.4073249501       -0.2943320651       10.6694300615
  H         6.7541994919        0.8491843856        8.9379436239
  H         7.3127881150       -0.6906072047        8.2995617925
  H         6.6786079228        2.4600823658        7.2486186764
  H         4.8297475867        2.2774458426        8.8115591560
  H         3.6304285340        2.5199010226        7.5528770878
  H         5.5488482628        4.6059364973        8.7119484099
  H         3.7937787124        4.5611706371        8.8443121754
  H         4.5562096484        6.2352020663        7.1358236711
  H         3.5859244797        4.9801119799        6.3810001954
  H         6.6527269166        5.0215817641        6.4346452505
  H         5.6654414341        5.4130784920        5.0322528471
  H         6.4560197035        3.0670020526        4.8830343087
  H         4.6988489649        3.1250501329        5.0052997341
  H         7.8405851584        0.6574258607        5.9577728053
  H         7.1422762865       -0.9566638911        5.8095898119
  H         7.7675954927       -0.3676088416        3.5188454108
  H         7.1457229174        1.2766042832        3.6952225904
  H         6.4604945335       -2.1399484499        2.3172435631
  H         4.5299983848       -1.8404379722        0.8317792492
  H         3.3964340352       -2.1123106715        2.1418347297
  H         5.3176651037       -4.1709594301        0.9458133528
  H         3.5656152480       -4.1245152965        0.7615336073
  H         4.2397975888       -5.8127087549        2.4752827165
  H         3.2764958966       -4.5431885891        3.2095191425
  H         5.2720936633       -4.9948699661        4.6406253548
  H         6.3440200706       -4.7254798750        3.2659257704
  H         6.2751660526       -2.7125364224        4.6998443948
  H         4.5160211267       -2.6607604939        4.6275993604
  H         4.2107775980        0.2621308325        1.2775995135
  H         5.7477628166        2.6995927525        2.3087221941
  H         4.0604040472        2.3408267031        2.6861154366
  H         4.2270709536        3.9136074723        0.7317307135
  H         3.4831145641        2.3899924548        0.2602976718
  H         6.3938529881        3.2322355155       -0.2381893992
  H         5.1378405287        3.0361741009       -1.4541007456
  H         6.7360461101        1.0655409649       -1.3486044006
  H         5.0505961581        0.6065266059       -1.0864670733
  H         7.1787659004        0.9882150146        1.0915201939
  H         6.5059660130       -0.5454786871        0.5512203275
  H         2.1212757191        0.5327268461        2.4329567924
  H         2.1777976578       -1.8860517465        3.6539376858
  H         0.7596119067       -1.7354202129        5.8515165445
  H         2.2385721303       -0.0821861549        7.2822830159
  H         2.1982913341        2.3382542333        6.0692277208
  H         0.6762529063        2.1618219111        3.9330353499
  H        -0.6251927144        0.5939154536        5.7175971388
  H        -0.6368088644       -0.2049738155        4.1077660036
 Rh        14.7189532508       19.6369942646       14.9746693059
  P        12.9585637912       19.2080091405       13.5255751365
  C        13.1326784845       20.1899901978       11.9610922364
  C        13.5081338518       21.6628132925       12.2126261085
  C        13.8473981195       22.3605484023       10.8850152445
  C        12.6887409711       22.2592642167        9.8830909098
  C        12.2503597301       20.8021960538        9.6741635823
  C        11.9359777156       20.0913222742       11.0033872676
  C        12.6677384325       17.4544200788       12.9641046960
  C        13.6818722672       17.0369898862       11.8776399235
  C        13.6090359520       15.5357254051       11.5576917685
  C        13.7810823646       14.6963968103       12.8264440127
  C        12.6814715652       15.0363589236       13.8368132691
  C        12.7040750540       16.5292153590       14.2013019721
  C        11.3384110230       19.7068986215       14.3202821120
  C        11.4076036656       19.6667858063       15.8582560040
  P        13.0815913546       20.1673779273       16.5081424012
  C        12.9140362708       21.9650411427       16.9582688560
  C        13.9845269036       22.4125969774       17.9759020191
  C        13.9903151505       23.9365624366       18.1790269767
  C        14.0913564485       24.7001592523       16.8549438747
  C        12.9486701339       24.3021294598       15.9185126760
  C        12.9832696444       22.7917085372       15.6557422760
  C        13.3286311646       19.2283524606       18.0861762428
  C        13.6032609085       17.7371623508       17.8064239567
  C        14.0314137839       17.0224393786       19.0964529866
  C        12.9757250665       17.1805925787       20.2013690782
  C        12.6226681690       18.6578584121       20.4437995937
  C        12.2260213642       19.3887550698       19.1452200199
  C        16.4514668774       19.6244657494       16.3527171146
  C        16.4681692463       20.8199366986       15.6266583446
  C        17.3214144540       20.5602867440       14.3694469845
  C        16.4419560034       19.5832441829       13.5582390522
  C        16.4209811574       18.3890968429       14.2814449472
  C        17.2899463402       18.6168879883       15.5357614168
  C        18.3693676048       19.5735938273       14.9554976394
  H        14.0019885437       19.7103397342       11.4804086930
  H        12.6657561975       22.1829918253       12.6924991412
  H        14.3557724212       21.7229672194       12.9124042602
  H        14.1041153673       23.4129886415       11.0700074538
  H        14.7479678488       21.8937494590       10.4587476306
  H        12.9817245957       22.7066059218        8.9216840753
  H        11.8360264103       22.8488703864       10.2481396435
  H        11.3651462516       20.7574518207        9.0226126631
  H        13.0555346386       20.2543709072        9.1597241681
  H        11.6643111298       19.0454549945       10.8116310745
  H        11.0591508899       20.5583819716       11.4701875196
  H        11.6567173983       17.4217090362       12.5259461000
  H        13.5044786904       17.6152843621       10.9608752013
  H        14.7030459970       17.2831099305       12.2038139201
  H        12.6377326013       15.3014995242       11.0979485301
  H        14.3764549139       15.2858374933       10.8111324351
  H        13.7718570807       13.6251947422       12.5809050510
  H        14.7674211003       14.8947235124       13.2726646025
  H        11.7034134554       14.7636314286       13.4168914816
  H        12.8013687250       14.4525437108       14.7594494804
  H        11.8590226772       16.7641243142       14.8664371785
  H        13.6174843886       16.7461369685       14.7782164485
  H        10.5323348688       19.0563040467       13.9506334854
  H        11.1076960509       20.7224287194       13.9694572627
  H        10.6257219956       20.2949465641       16.3090835996
  H        11.2405527759       18.6426442919       16.2204375829
  H        11.9174591751       22.0980114827       17.4094469602
  H        13.8164455354       21.9192993857       18.9435362406
  H        14.9805596905       22.0919650342       17.6403019634
  H        13.0690949014       24.2379172589       18.6980189948
  H        14.8248882871       24.2060065464       18.8402129056
  H        14.0845365093       25.7815476408       17.0466330408
  H        15.0557783559       24.4901221073       16.3690998744
  H        13.0164025344       24.8323442233       14.9581197379
  H        11.9839652915       24.5817389789       16.3648721809
  H        12.1667812793       22.5038595374       14.9788202437
  H        13.9188904215       22.5379046168       15.1313729619
  H        14.2561269311       19.6673003275       18.4917724007
  H        12.6918424857       17.2619530365       17.4133883112
  H        14.3726777662       17.6341171336       17.0250716239
  H        14.2135002564       15.9584806212       18.8865490982
  H        14.9917982913       17.4393642527       19.4356975487
  H        12.0679761728       16.6282321712       19.9173831977
  H        13.3347656029       16.7223491609       21.1343075982
  H        11.7996449659       18.7348016778       21.1698153496
  H        13.4892687150       19.1690748775       20.8927037025
  H        11.2854238419       18.9701796654       18.7630378382
  H        12.0359232151       20.4489541634       19.3550801048
  H        16.2021113975       19.5035270780       17.4026685570
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 Rh        12.6589831016        9.8048443956        4.6975671132
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  C        15.9648355884        9.6379603824        5.4463731618
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  C        11.4379864298       11.0393930326       18.2014250660
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  C        13.2434967764       10.3741818812       16.0778550333
  C        12.7637700147        9.4023144665       16.9816577743
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  C        15.7627882114       12.0572563768       15.2246246181
  C        16.7012360023       13.0217548502       14.8368933971
  C        17.0862621807       13.1515394036       13.4976106744
  C        16.5060240472       12.2870317460       12.5613614496
  C        15.5680043782       11.3277199280       12.9599532240
  C        16.8422757836       12.3973427898       11.0970123731
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  F        15.7542058637       12.8160981549       10.3457720440
  F        17.2353804260       11.1908831680       10.5612291958
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  F        18.1482700273       14.8385206370       15.4058476606
  F        17.8386231117       13.2542424054       16.9335620158
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  C        12.4464662905       10.6745031842       12.8454901906
  C        11.4655492897       10.4129583432       11.8793996436
  C        11.0430209339        9.1072834743       11.6286748410
  C        11.6021420120        8.0758663328       12.3856294289
  C        12.5760910600        8.3410548425       13.3537009038
  C        11.0270795249        6.6991387775       12.2312709712
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  F        11.9229914327        5.6912711595       12.4654908672
  F        10.0060652496        6.4974731007       13.1316613651
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  F        10.6242585957       12.6596857752       11.7436917383
  F        11.7666993351       11.8879207608       10.0453902848
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  C        15.8559915209        8.5670621093       16.2866281980
  C        16.8097248408        7.5587534940       16.4635675568
  C        17.1165742357        6.6695855508       15.4304827873
  C        16.4825410302        6.8317394421       14.2068714681
  C        15.5580422268        7.8649283380       14.0137005612
  C        17.4841181858        7.2669633467       17.7705502438
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  F        16.7935144897        6.3143994158       18.4805491999
  F        18.7593149164        6.7891887773       17.5407476671
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  F        10.4813824186       13.7340374400       16.4320994313
  F        12.4022050064       14.3404377999       17.3058739154
  F        17.6308207087        4.8724664676       13.4878673952
  F        17.3766368244        6.5268517144       12.0283400027
  F        15.6564439091        5.2696512949       12.6112573797
  C        16.7876524084        5.8812403328       13.0906464687
  H        10.7464654768       11.2949623090       18.9994367886
  H        13.0883299432       12.4724139435       15.5907949303
  H        13.0714925967        8.3653814352       16.8616405479
  H        15.4918306278       11.9889782577       16.2774061292
  H        17.7986742296       13.9119962126       13.1928705566
  H        15.1396376938       10.6755863745       12.2005240169
  H        12.7468168457       11.7083877307       13.0155411155
  H        10.2801809700        8.8989287754       10.8841809664
  H        12.9713749198        7.5095898704       13.9333391248
  H        15.6284432879        9.2304731745       17.1202630386
  H        17.8276061693        5.8663765443       15.5839637493
  H        15.1089679082        7.9800569301       13.0277424087
  F         2.7314696989       18.6322094482       20.1000191786
  C         2.7313848586       18.2914021632       18.7679482522
  F         1.4075832814       18.0785985455       18.4741881821
  F         3.3587384884       17.0874891401       18.6320637419
  C         3.3406251631       19.3556561650       17.9099536136
  C         4.1824021101       19.0328691158       16.8414039740
  C         4.6928887326       20.0191814327       15.9748357772
  C         4.2767551195       21.3386703240       16.2242406285
  C         3.4392963027       21.6638780023       17.2988997073
  C         2.9659667698       20.6782436320       18.1611451965
  C         2.9234673630       23.0643848436       17.4347054621
  F         2.2999880858       23.2925451810       18.6242400746
  F         3.9021391274       24.0239375886       17.3055348224
  F         1.9925781031       23.2936488802       16.4318571037
  B         5.6124058461       19.6372325393       14.6716264019
  C         6.6499593870       18.4113150293       14.9701400250
  C         7.2671425081       18.2782317829       16.2262216936
  C         8.2433407532       17.3081639350       16.4685024790
  C         8.6440986501       16.4189032224       15.4712461763
  C         8.0500862909       16.5421563670       14.2160003130
  C         7.0848624064       17.5264583117       13.9676148864
  C         8.4235815629       15.5964686048       13.1144558021
  F         7.3129990540       15.0305198599       12.5390586457
  F         9.2159595166       14.5688604000       13.5620380617
  F         9.1080980051       16.2276117936       12.1007199998
  C         8.7836467820       17.1550366377       17.8520834503
  F         8.9101905207       18.3673332842       18.4839711011
  F        10.0143967367       16.5640381496       17.8928524040
  F         7.9539698610       16.3793312907       18.6303137278
  C         6.6332548784       20.8501290287       14.2677834602
  C         7.2133008809       21.6976159306       15.2306339823
  C         8.1644823972       22.6659248854       14.8895061806
  C         8.5913732414       22.8200073029       13.5670832734
  C         8.0394662609       21.9746951468       12.6043122517
  C         7.0855913877       21.0120160801       12.9483924518
  C         8.4040793240       22.1124598759       11.1581216994
  F         8.8235564387       20.9056106047       10.6312043209
  F         9.3803467741       23.0321650963       10.9268365808
  F         7.3247786991       22.5146354824       10.4081085974
  C         8.6820385663       23.5849958977       15.9564309610
  F         9.6016250657       24.4689097618       15.4764400418
  F         7.6876783999       24.3577478972       16.5044576070
  F         9.2705553613       22.8896013311       17.0028880548
  C         4.5422861676       19.2822021128       13.4808789616
  C         4.0527126531       17.9793142719       13.2697888740
  C         3.0833186918       17.6953718545       12.2962104996
  C         2.5595356614       18.7115194480       11.4965317586
  C         3.0181330958       20.0178370451       11.7027503037
  C         3.9796076354       20.2953355393       12.6785481167
  C         2.3988812343       21.1148198380       10.8865369103
  F         2.3720727840       20.7826639342        9.5419155133
  F         1.0899364916       21.3346663392       11.2600607410
  F         3.0364042295       22.3172139634       10.9979007745
  C         2.5088928417       16.3089410843       12.1877475771
  F         1.9323589522       16.0519963455       10.9844524078
  F         3.4285184138       15.3141430018       12.3964549263
  F         1.5223634907       16.1209917787       13.1306013642
  H         4.4377688891       17.9893110344       16.6728876888
  H         4.6058055327       22.1377866854       15.5607344557
  H         2.3042373142       20.9294151150       18.9861360861
  H         6.9830172058       18.9474532095       17.0367493307
  H         9.3810361393       15.6479746360       15.6728470785
  H         6.6605870995       17.5954419439       12.9669310490
  H         6.9136305059       21.6109344512       16.2743883112
  H         9.3140135839       23.5823867127       13.2946885253
  H         6.6830754286       20.3756279931       12.1620378076
  H         4.4305587059       17.1599659633       13.8798578098
  H         1.8066211057       18.4931005931       10.7430291342
  H         4.2986741464       21.3267882723       12.8155511332
  F        15.6182957768        1.2754835662       -0.2930431393
  C        15.6624067706        1.6683299270        1.0285818469
  F        16.9916203152        1.8963014810        1.3186383379
  F        15.0495029003        2.8841862573        1.1011616773
  C        15.0741809489        0.6116744270        1.9258093486
  C        14.2262164607        0.9236780782        2.9947958516
  C        13.7305000118       -0.0719021913        3.8656178434
  C        14.1712098802       -1.3840584797        3.6310375187
  C        15.0055137174       -1.7036818601        2.5561459830
  C        15.4607723355       -0.7133320153        1.6848393493
  C        15.4680543525       -3.1194318152        2.3836196890
  F        16.0486991410       -3.3178344402        1.1714216401
  F        14.4478758884       -4.0414805756        2.4965689725
  F        16.4092706721       -3.4513575434        3.3547202961
  B        12.7870464376        0.2701477497        5.1589256888
  C        11.7363942838        1.4822284398        4.8459023602
  C        11.1265503146        1.5948310083        3.5814590219
  C        10.1465935850        2.5551868707        3.3193215958
  C         9.7321360116        3.4551671858        4.3060799699
  C        10.3179186773        3.3524221931        5.5653757752
  C        11.2914183689        2.3790992125        5.8314298125
  C         9.9544018504        4.3108239818        6.6595710600
  F        11.0918873283        4.8778712862        7.1884440025
  F         9.1362764841        5.3318386340        6.2381102479
  F         9.3074118901        3.6817450221        7.6992787509
  C         9.6233072723        2.7196729308        1.9282278015
  F         9.4969182027        1.5336797332        1.2494342151
  F         8.4027334376        3.3408959458        1.9036891805
  F        10.4693875493        3.4757390413        1.1637186882
  C        11.7853916163       -0.9641840875        5.5513052170
  C        11.2448822850       -1.8400127446        4.5920001577
  C        10.2914184183       -2.8075033325        4.9268890432
  C         9.8238225901       -2.9380230926        6.2377224342
  C        10.3411019462       -2.0710623380        7.1990413939
  C        11.2990653679       -1.1077476726        6.8622468767
  C         9.9457047715       -2.1878658776        8.6397405678
  F         9.5857649848       -0.9741225490        9.1688156520
  F         8.9074225039       -3.0503468037        8.8703176085
  F        11.0138586834       -2.6144735966        9.3929871668
  C         9.7513824615       -3.6986791586        3.8496640542
  F         8.8176247322       -4.5678362889        4.3252623881
  F        10.7197120179       -4.4528156893        3.2285184146
  F         9.1411973840       -2.9678347446        2.8542912450
  C        13.8518997086        0.6104997355        6.3558292953
  C        14.3431421838        1.9092157886        6.5664521592
  C        15.3252111269        2.1849409124        7.5279436229
  C        15.8680643751        1.1712210665        8.3132724819
  C        15.4110183067       -0.1337916456        8.1023479918
  C        14.4280309720       -0.4066569175        7.1450022868
  C        16.0229824067       -1.2293795380        8.9227766177
  F        16.0413395025       -0.8760008599       10.2624441837
  F        17.3295445331       -1.4917636492        8.5811013939
  F        15.3722598112       -2.4176700592        8.8049597304
  C        15.8737986767        3.5762424834        7.6218970028
  F        16.4775970623        3.8576341367        8.8099827215
  F        14.9131469369        4.5290316782        7.4081482511
  F        16.8293872586        3.7878373637        6.6598104385
  H        13.9470495047        1.9640772563        3.1564711292
  H        13.8552042077       -2.1834729445        4.3002807841
  H        16.1110446424       -0.9631802065        0.8512879068
  H        11.4227058646        0.9185834200        2.7804976713
  H         8.9919345179        4.2200310632        4.0922676204
  H        11.7166507713        2.3317782309        6.8330482128
  H        11.5700877650       -1.7706280934        3.5545202253
  H         9.0917401072       -3.6935722874        6.5028375191
  H        11.6729623280       -0.4499805204        7.6457343777
  H        13.9588474023        2.7328573123        5.9673788120
  H        16.6283261407        1.3899567456        9.0594792557
  H        14.1046463429       -1.4375337071        7.0103164318
  H        10.7997275397       11.7758613263        4.7201010356
  H        11.5985930780       10.0526348780        3.1289175993
     646
 i =      130, E =         0.0032715698
 Rh         3.6459326050        0.2402838414        4.8212637229
  P         5.3900464617        0.6385174780        6.2883592678
  C         5.2300929543       -0.3070417362        7.8718616380
  C         4.8389157607       -1.7823976008        7.6608778231
  C         4.5349348638       -2.4432032921        9.0159171673
  C         5.7191490949       -2.3243543844        9.9858723123
  C         6.1852252851       -0.8692099456       10.1422426593
  C         6.4607453740       -0.1979663276        8.7857905557
  C         5.6696260135        2.4060682305        6.8084609963
  C         4.6353840952        2.8227968835        7.8780305103
  C         4.6326372167        4.3321904815        8.1706614138
  C         4.5446807383        5.1648295637        6.8888379477
  C         5.6933911058        4.8038629687        5.9446000328
  C         5.6295251911        3.3189566070        5.5637090091
  C         7.0028146270        0.0951199735        5.5214179513
  C         6.9752417446        0.2317605463        3.9899759823
  P         5.3120744476       -0.2370952852        3.2943975164
  C         5.4729201544       -2.0238420843        2.7917660999
  C         4.3870311911       -2.4023197201        1.7645412977
  C         4.3832043455       -3.9044155695        1.4602016026
  C         4.2472278423       -4.7442247383        2.7322244552
  C         5.3836952303       -4.4227730168        3.7073725855
  C         5.4159597402       -2.9234826802        4.0478704925
  C         5.1249959530        0.7021638792        1.7095433169
  C         4.8436183147        2.2019092411        1.9257385144
  C         4.4302446745        2.8430176291        0.5901309870
  C         5.5018271878        2.6426322315       -0.4930388217
  C         5.8936121991        1.1638469860       -0.6477011670
  C         6.2688824295        0.5157344925        0.6982923762
  C         1.8858934996        0.3173022327        3.4714524403
  C         1.9107611636       -0.9317026091        4.0984262641
  C         1.0778174546       -0.7983539452        5.3875809146
  C         1.9471346759        0.1341750428        6.2585844609
  C         1.9209941127        1.3826416534        5.6350454370
  C         1.0357960092        1.2322881757        4.3810851437
  C        -0.0053698275        0.2045055206        4.9037176871
  H         4.3804107625        0.1884046729        8.3705556426
  H         5.6614273296       -2.3198261915        7.1653931963
  H         3.9697012746       -1.8536188797        6.9896977617
  H         4.2659549576       -3.4988308018        8.8688259471
  H         3.6504627910       -1.9577834593        9.4538331279
  H         5.4419521844       -2.7374323601       10.9666621779
  H         6.5543813513       -2.9377010130        9.6213792667
  H         7.0941549771       -0.8205840854       10.7600431052
  H         5.4071861866       -0.2951879680       10.6696303737
  H         6.7538083572        0.8489545754        8.9384872888
  H         7.3128330362       -0.6905360633        8.2997595249
  H         6.6784620663        2.4601723110        7.2490652272
  H         4.8288248006        2.2772776992        8.8114249394
  H         3.6301518811        2.5207711707        7.5523231366
  H         5.5499042689        4.6055606194        8.7115928042
  H         3.7948751766        4.5616574839        8.8449195784
  H         4.5568333441        6.2353722177        7.1360340789
  H         3.5858629844        4.9805282163        6.3816972708
  H         6.6527116872        5.0222210904        6.4334815448
  H         5.6642886210        5.4127027550        5.0316045923
  H         6.4563664422        3.0669536582        4.8833786524
  H         4.6991508819        3.1245840573        5.0051753146
  H         7.8407226732        0.6576105082        5.9578639286
  H         7.1424862690       -0.9564914610        5.8096651318
  H         7.7677473952       -0.3675171567        3.5189751580
  H         7.1459359502        1.2767287866        3.6952506954
  H         6.4611451149       -2.1398032746        2.3176826989
  H         4.5314539622       -1.8408718827        0.8315374291
  H         3.3971662242       -2.1116980362        2.1412116372
  H         5.3176575868       -4.1715247400        0.9460017986
  H         3.5655820157       -4.1245058657        0.7620846695
  H         4.2397326440       -5.8125989496        2.4759801479
  H         3.2769013793       -4.5427215398        3.2102580064
  H         5.2729944332       -4.9948321665        4.6408126672
  H         6.3444392104       -4.7252314346        3.2657835784
  H         6.2754810227       -2.7123560323        4.7001450846
  H         4.5163503519       -2.6607533556        4.6276956948
  H         4.2103412582        0.2617884608        1.2779689284
  H         5.7469584925        2.6994030565        2.3093943179
  H         4.0594821722        2.3403341691        2.6859364949
  H         4.2270478937        3.9136769163        0.7320835749
  H         3.4831869433        2.3902431893        0.2599083840
  H         6.3943762372        3.2319557357       -0.2369058785
  H         5.1388715903        3.0370884107       -1.4535461524
  H         6.7357516062        1.0654949197       -1.3485277370
  H         5.0500587220        0.6072253379       -1.0866008617
  H         7.1785078032        0.9872228723        1.0914481200
  H         6.5047654310       -0.5459407247        0.5508147792
  H         2.1214982153        0.5325928129        2.4329246471
  H         2.1778891727       -1.8859746374        3.6543087005
  H         0.7597368908       -1.7348164849        5.8519916350
  H         2.2388057602       -0.0813505086        7.2822323673
  H         2.1987504360        2.3386684535        6.0687098514
  H         0.6766399483        2.1620970812        3.9327193686
  H        -0.6248488699        0.5946430650        5.7176784259
  H        -0.6366734451       -0.2045606975        4.1080017083
 Rh        14.7190435075       19.6370443609       14.9746254336
  P        12.9587973702       19.2081328834       13.5254815947
  C        13.1329154230       20.1900505499       11.9609902647
  C        13.5083125928       21.6628853779       12.2126163079
  C        13.8473905829       22.3607498761       10.8850571305
  C        12.6886198078       22.2595200195        9.8832435812
  C        12.2500965523       20.8024917979        9.6742880637
  C        11.9360441736       20.0914623257       11.0034928155
  C        12.6681418588       17.4544012517       12.9643876248
  C        13.6823921167       17.0369799145       11.8780433328
  C        13.6094293420       15.5357869877       11.5578255574
  C        13.7809032388       14.6960878250       12.8264105109
  C        12.6814432238       15.0363729451       13.8368326392
  C        12.7046865648       16.5291652406       14.2015601394
  C        11.3387032604       19.7075192658       14.3198696246
  C        11.4075563287       19.6664930651       15.8578062961
  P        13.0814008460       20.1672749806       16.5079112435
  C        12.9135261808       21.9648458272       16.9582732366
  C        13.9844578712       22.4120059465       17.9756082392
  C        13.9901376606       23.9358335147       18.1794078818
  C        14.0916273897       24.6996645578       16.8554997605
  C        12.9487813662       24.3023653027       15.9189372417
  C        12.9821260813       22.7919199902       15.6559583107
  C        13.3286114946       19.2283853999       18.0859752490
  C        13.6035172300       17.7372059579       17.8064059498
  C        14.0311927772       17.0225254376       19.0966314007
  C        12.9751578027       17.1808155352       20.2011972388
  C        12.6226005861       18.6581832032       20.4436250535
  C        12.2259837359       19.3889431880       19.1449739971
  C        16.4517643432       19.6244125157       16.3523469019
  C        16.4683776750       20.8195590633       15.6267423542
  C        17.3213687226       20.5604254506       14.3692553495
  C        16.4418169370       19.5832483546       13.5583673106
  C        16.4209522377       18.3895635609       14.2810418275
  C        17.2900827436       18.6167129607       15.5353280378
  C        18.3693889613       19.5735758286       14.9549712176
  H        14.0021841803       19.7104800563       11.4801468399
  H        12.6659468205       22.1829539193       12.6926323259
  H        14.3560090358       21.7230496014       12.9123297619
  H        14.1040455081       23.4131951221       11.0701163646
  H        14.7479478168       21.8940715949       10.4586452767
  H        12.9815247638       22.7068689431        8.9218127347
  H        11.8359860393       22.8491879051       10.2483953857
  H        11.3646844227       20.7579055790        9.0229966546
  H        13.0550748708       20.2546829652        9.1595357114
  H        11.6643533784       19.0456075357       10.8116945600
  H        11.0593181395       20.5584524298       11.4705515704
  H        11.6571098770       17.4214566674       12.5262516277
  H        13.5052842595       17.6154382795       10.9613260463
  H        14.7035214838       17.2829462088       12.2044872084
  H        12.6382542851       15.3018361181       11.0976862892
  H        14.3770741101       15.2859244716       10.8114853368
  H        13.7710671787       13.6249547194       12.5805647690
  H        14.7673317469       14.8936925539       13.2727614654
  H        11.7032521417       14.7641897143       13.4168678566
  H        12.8010578738       14.4523128362       14.7593503439
  H        11.8599873151       16.7642286411       14.8670859304
  H        13.6184097837       16.7457601390       14.7781210318
  H        10.5321995224       19.0578453471       13.9495420792
  H        11.1089873065       20.7234795545       13.9696261032
  H        10.6254485115       20.2942180040       16.3088660539
  H        11.2407071582       18.6420920750       16.2193764499
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 Rh        12.6588685701        9.8049587173        4.6975831574
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  C         5.7311945130       10.4824478476        2.9548154579
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  F         0.1938283299        5.0743086208        4.3301364472
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  F        11.2164403651        9.0175603137       20.2229440898
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  C        11.4379798845       11.0394325746       18.2016542332
  C        11.8884941692       12.0128167332       17.3101068852
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  C        13.2434438553       10.3741785866       16.0777917245
  C        12.7635424605        9.4022846422       16.9816252890
  B        14.1554064062        9.9818554951       14.7701315932
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  C        15.7626619115       12.0573182606       15.2245495083
  C        16.7012395354       13.0218131552       14.8368563024
  C        17.0862217750       13.1514659737       13.4975921316
  C        16.5060076288       12.2869873989       12.5614592313
  C        15.5680024549       11.3275453077       12.9599330129
  C        16.8423638935       12.3972925914       11.0970550987
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  F        15.7541413794       12.8161297310       10.3456915036
  F        17.2353689547       11.1908805372       10.5611767477
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  F        18.1482678594       14.8385009629       15.4058578590
  F        17.8386102980       13.2542787666       16.9335382707
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  C        12.4464203089       10.6744700035       12.8454440647
  C        11.4655878513       10.4130849836       11.8793242365
  C        11.0432011525        9.1072889544       11.6285827043
  C        11.6022235366        8.0760009274       12.3857135204
  C        12.5759566199        8.3410139770       13.3539651380
  C        11.0270449406        6.6991209794       12.2312712150
  F        10.4970267016        6.4946935862       10.9937968194
  F        11.9230170376        5.6912169519       12.4654591092
  F        10.0060096078        6.4974065658       13.1317077739
  C        10.9014578379       11.5263131855       11.0443005207
  F         9.7396060918       11.1780560711       10.4116395504
  F        10.6243995326       12.6595541996       11.7434814138
  F        11.7665458444       11.8881671109       10.0455119788
  C        15.1906321805        8.7423529061       15.0511355624
  C        15.8559379330        8.5670064248       16.2866384389
  C        16.8096257869        7.5588645062       16.4634481860
  C        17.1168385457        6.6694969140       15.4304953658
  C        16.4826292120        6.8315712083       14.2066885611
  C        15.5580476609        7.8647335481       14.0139387367
  C        17.4841286935        7.2669357942       17.7706598841
  F        17.6134989863        8.3293404284       18.6224563097
  F        16.7934366017        6.3143437952       18.4805375672
  F        18.7594273430        6.7891112837       17.5407152950
  C        11.3919759781       13.4254144439       17.4304733387
  F        10.7858483166       13.6684976406       18.6259222300
  F        10.4814095885       13.7340750394       16.4321313295
  F        12.4021787983       14.3404570459       17.3058704182
  F        17.6311646344        4.8727240545       13.4881602115
  F        17.3766234661        6.5269614132       12.0284644923
  F        15.6560862065        5.2701356917       12.6111589774
  C        16.7876188762        5.8810814428       13.0905886507
  H        10.7467783925       11.2949712392       18.9995758766
  H        13.0883781253       12.4724479524       15.5908118478
  H        13.0711645017        8.3652420199       16.8613589757
  H        15.4915639214       11.9891873977       16.2774123665
  H        17.7987065062       13.9119781427       13.1928579722
  H        15.1398525651       10.6754541943       12.2006257141
  H        12.7468111635       11.7084115719       13.0154973237
  H        10.2804432806        8.8988586669       10.8837582309
  H        12.9708889931        7.5097897988       13.9336463123
  H        15.6283271988        9.2303887420       17.1202090355
  H        17.8276972620        5.8667413936       15.5837780465
  H        15.1085553393        7.9798832745       13.0275517797
  F         2.7311314530       18.6313346322       20.1000209312
  C         2.7312465660       18.2917707827       18.7674951815
  F         1.4078194099       18.0782674733       18.4747960849
  F         3.3581716290       17.0874430955       18.6326990716
  C         3.3407789957       19.3558683441       17.9095883938
  C         4.1824592724       19.0326276910       16.8412792592
  C         4.6926263329       20.0188522727       15.9753579721
  C         4.2768702927       21.3386730948       16.2243932948
  C         3.4391390540       21.6637727596       17.2991236665
  C         2.9658967175       20.6781018466       18.1608906273
  C         2.9235320168       23.0643013411       17.4345591392
  F         2.3001359404       23.2926115542       18.6241155541
  F         3.9020038836       24.0239632011       17.3056834489
  F         1.9926045681       23.2937078950       16.4319900646
  B         5.6124991367       19.6371717206       14.6714826630
  C         6.6497888984       18.4111943203       14.9702033211
  C         7.2671099700       18.2779728379       16.2262657517
  C         8.2432944175       17.3082108895       16.4685433080
  C         8.6443522696       16.4188511122       15.4712118246
  C         8.0500122929       16.5422043497       14.2159702485
  C         7.0847862897       17.5262532796       13.9677166122
  C         8.4235923486       15.5964523716       13.1144848891
  F         7.3130200845       15.0305666300       12.5389826335
  F         9.2159959685       14.5688550953       13.5620267565
  F         9.1080621116       16.2275923153       12.1007028778
  C         8.7836665724       17.1550237184       17.8520814983
  F         8.9102189705       18.3673363090       18.4839725258
  F        10.0143864159       16.5640453161       17.8928568683
  F         7.9539930143       16.3793242034       18.6303107699
  C         6.6334010078       20.8499965814       14.2677787665
  C         7.2134397486       21.6974036944       15.2306900601
  C         8.1644910537       22.6658612019       14.8895331607
  C         8.5912314004       22.8200331895       13.5670791726
  C         8.0393964323       21.9746208156       12.6043404868
  C         7.0856186514       21.0118735475       12.9484193624
  C         8.4040804839       22.1124584197       11.1581380675
  F         8.8235530363       20.9056069456       10.6312026255
  F         9.3803419470       23.0321564968       10.9267716116
  F         7.3248074012       22.5146317270       10.4080888814
  C         8.6820501254       23.5849862893       15.9564311851
  F         9.6016305574       24.4689022529       15.4764361812
  F         7.6876831526       24.3577485461       16.5044459056
  F         9.2705699832       22.8895975676       17.0028955048
  C         4.5423494725       19.2822797400       13.4810159313
  C         4.0525586257       17.9792809755       13.2696581395
  C         3.0834286412       17.6953321945       12.2963322661
  C         2.5592979612       18.7114496730       11.4963295418
  C         3.0183005624       20.0179763956       11.7029237504
  C         3.9794491229       20.2951810879       12.6784598263
  C         2.3988763062       21.1147740744       10.8865112485
  F         2.3721315321       20.7827288367        9.5419400457
  F         1.0899000842       21.3347006568       11.2599432091
  F         3.0363926838       22.3172118416       10.9978164383
  C         2.5088735687       16.3089482749       12.1877042312
  F         1.9323940339       16.0520029071       10.9844764066
  F         3.4285224304       15.3141461811       12.3964325703
  F         1.5223548068       16.1209736359       13.1306043862
  H         4.4376201188       17.9896958850       16.6729211605
  H         4.6061952886       22.1380216520       15.5608665402
  H         2.3038265583       20.9294380828       18.9859721291
  H         6.9827810630       18.9472435097       17.0369089182
  H         9.3813021531       15.6482636398       15.6727255860
  H         6.6603315508       17.5951799725       12.9670380529
  H         6.9139474812       21.6106119028       16.2744513764
  H         9.3137681705       23.5826145223       13.2946318617
  H         6.6831844888       20.3755227092       12.1621155830
  H         4.4305530221       17.1598920595       13.8799142412
  H         1.8066779031       18.4931533339       10.7432078713
  H         4.2986772413       21.3268390193       12.8156459103
  F        15.6180785386        1.2756945002       -0.2930652788
  C        15.6624529873        1.6683527009        1.0286720417
  F        16.9916888196        1.8962492611        1.3186359462
  F        15.0494559069        2.8841292332        1.1008921073
  C        15.0743056805        0.6115074642        1.9256610193
  C        14.2259417735        0.9236714024        2.9947083383
  C        13.7303369671       -0.0719721367        3.8653292023
  C        14.1708102106       -1.3841482290        3.6309370302
  C        15.0056185061       -1.7035722377        2.5559253438
  C        15.4609010545       -0.7132963184        1.6851647858
  C        15.4679459897       -3.1194011905        2.3835631149
  F        16.0487053207       -3.3178680104        1.1714582444
  F        14.4478985202       -4.0414973704        2.4965591404
  F        16.4093245481       -3.4514292698        3.3547378015
  B        12.7869914491        0.2701955283        5.1588101468
  C        11.7363520368        1.4824544284        4.8458380153
  C        11.1266432646        1.5949245228        3.5813311888
  C        10.1465455240        2.5554001379        3.3193301694
  C         9.7322079800        3.4551978989        4.3060664637
  C        10.3179060833        3.3524903759        5.5652952317
  C        11.2914914772        2.3791430536        5.8313699998
  C         9.9543469611        4.3108112525        6.6594876562
  F        11.0918887808        4.8778677003        7.1885875789
  F         9.1362695381        5.3318468023        6.2381575289
  F         9.3075739207        3.6818354842        7.6992949200
  C         9.6232665388        2.7197075319        1.9281605775
  F         9.4969972426        1.5336120324        1.2494149789
  F         8.4027157038        3.3410076094        1.9037393870
  F        10.4694052716        3.4757788845        1.1636967597
  C        11.7851278187       -0.9640102809        5.5512661866
  C        11.2445984249       -1.8396752814        4.5918056369
  C        10.2911947101       -2.8075268997        4.9269832788
  C         9.8240269698       -2.9379886002        6.2376791366
  C        10.3410105274       -2.0711456510        7.1989895521
  C        11.2990125298       -1.1075528189        6.8621532120
  C         9.9457434181       -2.1878384180        8.6397134065
  F         9.5857153203       -0.9741515424        9.1688312191
  F         8.9074331271       -3.0503202304        8.8703393722
  F        11.0138432342       -2.6144831052        9.3929938864
  C         9.7513605780       -3.6986571605        3.8496379769
  F         8.8176226689       -4.5678263429        4.3252744404
  F        10.7197029920       -4.4528061426        3.2285271648
  F         9.1411862255       -2.9678399943        2.8542729555
  C        13.8517695664        0.6105131335        6.3555445922
  C        14.3433478005        1.9091278799        6.5664715299
  C        15.3249978227        2.1851187120        7.5274467871
  C        15.8684866232        1.1711224898        8.3133144704
  C        15.4108139848       -0.1341297161        8.1020372528
  C        14.4281620755       -0.4065896269        7.1451311515
  C        16.0229880078       -1.2293118333        8.9227387502
  F        16.0412948692       -0.8760459797       10.2623489344
  F        17.3294743696       -1.4917822192        8.5811008016
  F        15.3723091919       -2.4175631198        8.8049675113
  C        15.8738400845        3.5762804258        7.6219618566
  F        16.4775711651        3.8574792272        8.8099270044
  F        14.9129792194        4.5289807137        7.4081485424
  F        16.8295281856        3.7877639438        6.6596881733
  H        13.9466972080        1.9640077600        3.1561266361
  H        13.8546455406       -2.1835429895        4.2997715187
  H        16.1117006978       -0.9631048187        0.8516184182
  H        11.4227618621        0.9188244728        2.7803495572
  H         8.9918972925        4.2201899848        4.0922160088
  H        11.7166585552        2.3318354366        6.8329124202
  H        11.5694451114       -1.7701194016        3.5543261381
  H         9.0919742460       -3.6938525333        6.5029158358
  H        11.6728178564       -0.4498506605        7.6456035339
  H        13.9588571281        2.7328843758        5.9671164615
  H        16.6285390082        1.3898453636        9.0588957261
  H        14.1043875450       -1.4375574262        7.0103381675
  H        10.7993968117       11.7762014850        4.7184089131
  H        11.5982140672       10.0518056332        3.1286187545
     646
 i =      131, E =         0.0024995961
 Rh         3.6461807891        0.2403915680        4.8213774337
  P         5.3902232800        0.6385402366        6.2885093131
  C         5.2301666743       -0.3074028860        7.8719061773
  C         4.8393127057       -1.7827233103        7.6605401805
  C         4.5349439093       -2.4437255987        9.0153993923
  C         5.7190204463       -2.3251607383        9.9854753217
  C         6.1850556372       -0.8700808770       10.1422534138
  C         6.4605382986       -0.1983006980        8.7860413366
  C         5.6695835214        2.4060943403        6.8087209430
  C         4.6351048343        2.8230197186        7.8779341912
  C         4.6334063398        4.3323283858        8.1708083407
  C         4.5449616455        5.1650398459        6.8890957851
  C         5.6930519123        4.8039088930        5.9441008467
  C         5.6296457477        3.3188120181        5.5637992527
  C         7.0029973468        0.0953487310        5.5215183762
  C         6.9754488277        0.2319551688        3.9900650230
  P         5.3122762103       -0.2371328559        3.2945592123
  C         5.4735883285       -2.0238331068        2.7920001325
  C         4.3879588910       -2.4023144255        1.7644175330
  C         4.3834508759       -3.9045745031        1.4606073830
  C         4.2475168300       -4.7440623978        2.7328974117
  C         5.3843568612       -4.4226262764        3.7076067790
  C         5.4164887558       -2.9233830279        4.0481019329
  C         5.1244933315        0.7019422243        1.7095931180
  C         4.8429212836        2.2015987747        1.9259402250
  C         4.4301895213        2.8431502925        0.5902763236
  C         5.5022963857        2.6429653877       -0.4923555633
  C         5.8932599379        1.1640474402       -0.6476240822
  C         6.2681586327        0.5152890098        0.6981502925
  C         1.8861883350        0.3172923868        3.4714664676
  C         1.9109551336       -0.9314609630        4.0986643986
  C         1.0780407940       -0.7977450871        5.3879698222
  C         1.9474113585        0.1349462260        6.2585138283
  C         1.9213970987        1.3831061986        5.6347246799
  C         1.0361986784        1.2327306255        4.3809486032
  C        -0.0050814770        0.2051086240        4.9038599658
  H         4.3802686000        0.1878022684        8.3704474995
  H         5.6621598530       -2.3200285544        7.1653757024
  H         3.9703816007       -1.8541224217        6.9889255547
  H         4.2657827558       -3.4993151835        8.8681174883
  H         3.6504523346       -1.9582305613        9.4532211755
  H         5.4417891101       -2.7385242092       10.9661524964
  H         6.5542821524       -2.9384401296        9.6208686697
  H         7.0940214219       -0.8215986699       10.7601083969
  H         5.4070016056       -0.2962568860       10.6698905607
  H         6.7533304480        0.8486770742        8.9391775961
  H         7.3129042245       -0.6904501883        8.3000103235
  H         6.6782931299        2.4602858260        7.2496215210
  H         4.8276842835        2.2770609531        8.8112653928
  H         3.6298213931        2.5218565316        7.5516404361
  H         5.5512400079        4.6050905731        8.7111525166
  H         3.7962506854        4.5622615305        8.8456854080
  H         4.5576115579        6.2355746975        7.1362937418
  H         3.5858061224        4.9810420091        6.3825803306
  H         6.6527091411        5.0230171527        6.4320334439
  H         5.6628477030        5.4122331900        5.0307951952
  H         6.4567877421        3.0668933132        4.8838088037
  H         4.6995323134        3.1240028733        5.0050320525
  H         7.8409088657        0.6578551985        5.9579777709
  H         7.1427646965       -0.9562975683        5.8097611882
  H         7.7679423732       -0.3673936174        3.5191301180
  H         7.1461966017        1.2768932046        3.6952866626
  H         6.4619594831       -2.1396211706        2.3182283673
  H         4.5332524506       -1.8414362446        0.8312656748
  H         3.3980988405       -2.1109538998        2.1404278850
  H         5.3176642915       -4.1722342892        0.9462413101
  H         3.5655580751       -4.1244901562        0.7627847023
  H         4.2396597361       -5.8124453660        2.4768608712
  H         3.2774377274       -4.5421418541        3.2111716574
  H         5.2741281512       -4.9947959727        4.6410632876
  H         6.3449849354       -4.7249268604        3.2656017028
  H         6.2759076368       -2.7121261145        4.7005340188
  H         4.5167587714       -2.6607447660        4.6278270309
  H         4.2098397820        0.2613712209        1.2784484119
  H         5.7459665749        2.6991762900        2.3102365089
  H         4.0583458450        2.3397167280        2.6857084658
  H         4.2270155246        3.9137612108        0.7325281149
  H         3.4832855890        2.3905586412        0.2594321108
  H         6.3950356469        3.2316134782       -0.2352966777
  H         5.1401568614        3.0382473989       -1.4528611218
  H         6.7353874206        1.0654434416       -1.3484424956
  H         5.0493967263        0.6081081766       -1.0867590365
  H         7.1782056695        0.9859983493        1.0913558312
  H         6.5032816292       -0.5465180831        0.5503010648
  H         2.1217692997        0.5324061528        2.4329095229
  H         2.1779987147       -1.8858761477        3.6547851340
  H         0.7598948032       -1.7340417503        5.8525614816
  H         2.2391717893       -0.0803825276        7.2824531619
  H         2.1993932295        2.3394289855        6.0681616547
  H         0.6771342889        2.1623822530        3.9323318680
  H        -0.6244006830        0.5955388226        5.7177602827
  H        -0.6365101584       -0.2040593375        4.1082837303
 Rh        14.7191059071       19.6371196812       14.9745835370
  P        12.9590594622       19.2082828714       13.5253635515
  C        13.1332057866       20.1901597022       11.9608688234
  C        13.5085171050       21.6629426351       12.2126157821
  C        13.8473306940       22.3610025704       10.8850802534
  C        12.6884707046       22.2598590630        9.8834488686
  C        12.2497575870       20.8028696655        9.6744676772
  C        11.9361232795       20.0916492987       11.0036249998
  C        12.6686372833       17.4543763624       12.9647572055
  C        13.6830422334       17.0369635184       11.8785456425
  C        13.6099182843       15.5358786962       11.5580166512
  C        13.7806758018       14.6957099591       12.8263762518
  C        12.6814141122       15.0364004820       13.8368532574
  C        12.7054547752       16.5291199611       14.2018835499
  C        11.3390894621       19.7082777693       14.3193777905
  C        11.4074777176       19.6661124519       15.8572520839
  P        13.0811413655       20.1671452176       16.5076308168
  C        12.9128819523       21.9646023099       16.9583012381
  C        13.9843631754       22.4112371217       17.9752531362
  C        13.9899098801       23.9349415988       18.1798988683
  C        14.0919628122       24.6990516510       16.8562146917
  C        12.9489057423       24.3026392262       15.9194963419
  C        12.9806890177       22.7922054321       15.6562449403
  C        13.3286115645       19.2284353426       18.0857320863
  C        13.6038336624       17.7372945836       17.8063848034
  C        14.0309405146       17.0226167914       19.0968788271
  C        12.9744534694       17.1810917763       20.2009895857
  C        12.6225023941       18.6586162969       20.4434277840
  C        12.2259508840       19.3891713754       19.1446766434
  C        16.4520794714       19.6241103572       16.3522506008
  C        16.4685750921       20.8195215014       15.6268137566
  C        17.3213089295       20.5605013909       14.3691184769
  C        16.4415639190       19.5835794223       13.5580265774
  C        16.4208199011       18.3895787565       14.2805827780
  C        17.2902763476       18.6166334605       15.5347719733
  C        18.3694376181       19.5735501985       14.9543294369
  H        14.0024171910       19.7106540903       11.4798174959
  H        12.6661744475       22.1829116217       12.6928093728
  H        14.3562967381       21.7231498848       12.9122414269
  H        14.1039456435       23.4134667959       11.0702572003
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 Rh        12.6587038304        9.8051031463        4.6975942452
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  C        11.8885291177       12.0128951819       17.3101212034
  C        12.7689539376       11.6836354296       16.2708021382
  C        13.2434129146       10.3741822029       16.0777194757
  C        12.7634456195        9.4022291876       16.9813547834
  B        14.1547085836        9.9822147411       14.7699501467
  C        15.1603270705       11.1873662783       14.3002951063
  C        15.7624306300       12.0573910486       15.2246696588
  C        16.7010250268       13.0217058583       14.8369527562
  C        17.0861979676       13.1514302420       13.4975774127
  C        16.5062336341       12.2870339077       12.5610464788
  C        15.5682213660       11.3276261786       12.9599720907
  C        16.8418314441       12.3975467924       11.0969003408
  F        17.8574770640       13.2700147687       10.8526133239
  F        15.7545261665       12.8159275693       10.3461484887
  F        17.2355310417       11.1907120255       10.5612371661
  C        17.2387799991       13.9425322097       15.8967278980
  F        16.2460187782       14.6728000635       16.4976484179
  F        18.1483238224       14.8385670834       15.4057279506
  F        17.8385896339       13.2541294147       16.9335248965
  C        13.0483768997        9.6456793092       13.5988685971
  C        12.4466365322       10.6745638248       12.8456758141
  C        11.4657732230       10.4122565769       11.8795959974
  C        11.0430472188        9.1068476251       11.6281525989
  C        11.6013028953        8.0757236606       12.3849723089
  C        12.5752323421        8.3414202146       13.3536362944
  C        11.0272655005        6.6995048514       12.2313772882
  F        10.4972693568        6.4947410324       10.9943224260
  F        11.9226698635        5.6913238070       12.4652836608
  F        10.0061944074        6.4974099202       13.1313224820
  C        10.9015670488       11.5270196638       11.0437497315
  F         9.7391312383       11.1773019863       10.4113639395
  F        10.6238843588       12.6601427151       11.7443321958
  F        11.7672105030       11.8873984173       10.0448833276
  C        15.1912637999        8.7410460757       15.0503519318
  C        15.8559806593        8.5668218423       16.2866905320
  C        16.8096995763        7.5590710726       16.4639984529
  C        17.1165364515        6.6701182514       15.4303300370
  C        16.4816457201        6.8326034319       14.2066700456
  C        15.5574073239        7.8648200002       14.0132799720
  C        17.4840601215        7.2670033861       17.7701552970
  F        17.6134660462        8.3288700895       18.6222135260
  F        16.7937733992        6.3146749289       18.4806665759
  F        18.7591095618        6.7893646734       17.5408795320
  C        11.3919089437       13.4255370712       17.4305489510
  F        10.7857780829       13.6683374619       18.6260471279
  F        10.4813517446       13.7338536417       16.4320280630
  F        12.4023673171       14.3404155663       17.3058214191
  F        17.6303113045        4.8719059955       13.4872305853
  F        17.3766556325        6.5266629623       12.0282042593
  F        15.6570948223        5.2687460678       12.6114593946
  C        16.7877595619        5.8814672860       13.0907504417
  H        10.7469590494       11.2950481989       18.9999839284
  H        13.0883676766       12.4723762521       15.5909564341
  H        13.0707147963        8.3651509383       16.8610552710
  H        15.4913177459       11.9894478949       16.2770637947
  H        17.7987308605       13.9119379932       13.1928065391
  H        15.1399536585       10.6750459386       12.2004624821
  H        12.7467733772       11.7081552537       13.0154570114
  H        10.2813421985        8.8988889797       10.8838251375
  H        12.9707548770        7.5091881441       13.9346623233
  H        15.6281965908        9.2304223391       17.1204650679
  H        17.8285748113        5.8663892918       15.5838283095
  H        15.1087302397        7.9794658724       13.0287315455
  F         2.7321135174       18.6339480578       20.0999977999
  C         2.7311564034       18.2904653209       18.7683971280
  F         1.4072849450       18.0792789399       18.4732770914
  F         3.3597456293       17.0876159246       18.6310002398
  C         3.3394865696       19.3555567692       17.9110098831
  C         4.1821566986       19.0334912981       16.8414796950
  C         4.6938528662       20.0197679797       15.9735936599
  C         4.2771952061       21.3387195002       16.2243000804
  C         3.4390806315       21.6639737815       17.2990686300
  C         2.9653870832       20.6784651051       18.1610875001
  C         2.9234854075       23.0647125593       17.4349511523
  F         2.2996514012       23.2917475615       18.6243666543
  F         3.9024288962       24.0238106928       17.3051716031
  F         1.9923839566       23.2935041039       16.4315980894
  B         5.6120386236       19.6371498735       14.6723023078
  C         6.6497845142       18.4109431331       14.9702914672
  C         7.2668495849       18.2778596698       16.2263552194
  C         8.2432629932       17.3082291668       16.4686293251
  C         8.6443887518       16.4190914505       15.4711529148
  C         8.0500116949       16.5420582651       14.2158627462
  C         7.0845697612       17.5260311102       13.9677114531
  C         8.4236288805       15.5965172871       13.1144685918
  F         7.3129337686       15.0303836490       12.5392917951
  F         9.2158451111       14.5688577236       13.5620429614
  F         9.1081801747       16.2276926889       12.1007985680
  C         8.7836960638       17.1549721661       17.8521315855
  F         8.9100311712       18.3673680868       18.4839287298
  F        10.0144742452       16.5639494958       17.8928229174
  F         7.9539207124       16.3793905774       18.6302870373
  C         6.6334002601       20.8497492626       14.2680604477
  C         7.2136261800       21.6971835914       15.2308350902
  C         8.1644728654       22.6657800121       14.8895961851
  C         8.5910872358       22.8201019060       13.5670615189
  C         8.0395320009       21.9747471105       12.6041379733
  C         7.0857877100       21.0118649458       12.9484817462
  C         8.4040764295       22.1123078060       11.1581531990
  F         8.8234993284       20.9056640929       10.6313265451
  F         9.3802585240       23.0321308779       10.9270089755
  F         7.3247163410       22.5146795376       10.4081299509
  C         8.6820977662       23.5849131368       15.9564845155
  F         9.6015992610       24.4688908983       15.4764540495
  F         7.6876400075       24.3577648555       16.5044728173
  F         9.2704978732       22.8896244827       17.0028651726
  C         4.5421298209       19.2821195021       13.4808122498
  C         4.0526797174       17.9792369422       13.2698754206
  C         3.0834721392       17.6953166181       12.2964211967
  C         2.5594851911       18.7115221584       11.4965549841
  C         3.0182725272       20.0180636208       11.7029596464
  C         3.9794951363       20.2952595388       12.6785971808
  C         2.3990406735       21.1148036247       10.8866770637
  F         2.3719197981       20.7825916192        9.5417746818
  F         1.0898407697       21.3346856255       11.2601738029
  F         3.0363333113       22.3171445454       10.9980461641
  C         2.5088419368       16.3089052895       12.1876852095
  F         1.9323163825       16.0519622757       10.9844352994
  F         3.4285218993       15.3141554421       12.3965104939
  F         1.5223779633       16.1209928944       13.1306417240
  H         4.4378603749       17.9882828943       16.6726940684
  H         4.6064415320       22.1375501998       15.5615337148
  H         2.3037591150       20.9290841706       18.9852403967
  H         6.9825499558       18.9468621375       17.0369992107
  H         9.3818259271       15.6483982672       15.6726243340
  H         6.6600628152       17.5948373081       12.9672836011
  H         6.9143293453       21.6101899929       16.2744573649
  H         9.3133521501       23.5827856852       13.2945819244
  H         6.6832011251       20.3752265139       12.1620362209
  H         4.4304134357       17.1599749977       13.8798068836
  H         1.8063855888       18.4931144897       10.7430732374
  H         4.2985816052       21.3266991396       12.8157048333
  F        15.6189835340        1.2747212629       -0.2929536908
  C        15.6623148953        1.6684997251        1.0283333987
  F        16.9915277830        1.8962200557        1.3185847804
  F        15.0495401598        2.8843554464        1.1019369165
  C        15.0744020908        0.6117808174        1.9256518461
  C        14.2257287923        0.9235936907        2.9944215007
  C        13.7298563600       -0.0718651677        3.8653131777
  C        14.1705241565       -1.3841414489        3.6305040829
  C        15.0056433878       -1.7038973046        2.5558692753
  C        15.4613056960       -0.7132794207        1.6852084096
  C        15.4681274898       -3.1196322078        2.3838219909
  F        16.0486643777       -3.3177348176        1.1713531346
  F        14.4478914959       -4.0413431650        2.4964805055
  F        16.4091149318       -3.4511327957        3.3545558530
  B        12.7869550065        0.2703106980        5.1585883324
  C        11.7364086090        1.4825854288        4.8457241434
  C        11.1265977301        1.5952663992        3.5812601045
  C        10.1465030084        2.5556544681        3.3194288780
  C         9.7320287248        3.4554442319        4.3058476947
  C        10.3179167621        3.3524490490        5.5649369845
  C        11.2915431577        2.3792242821        5.8312329071
  C         9.9535906973        4.3107802580        6.6595858590
  F        11.0926952165        4.8785536979        7.1889371646
  F         9.1363928867        5.3317556281        6.2380423157
  F         9.3074381337        3.6816590589        7.6990386374
  C         9.6233740286        2.7196998533        1.9283179435
  F         9.4967262023        1.5338032321        1.2493327696
  F         8.4026825719        3.3408223586        1.9035000567
  F        10.4693678391        3.4758442642        1.1635632740
  C        11.7848703442       -0.9637841640        5.5510434260
  C        11.2441407097       -1.8393535592        4.5916576910
  C        10.2911739483       -2.8073534577        4.9268228475
  C         9.8240871298       -2.9381436296        6.2377135946
  C        10.3410318972       -2.0710613044        7.1990701173
  C        11.2988043238       -1.1074649894        6.8620584041
  C         9.9457221207       -2.1878543311        8.6397183487
  F         9.5858516863       -0.9740681310        9.1687672418
  F         8.9074451349       -3.0503737068        8.8702471934
  F        11.0138951777       -2.6144499043        9.3929623584
  C         9.7513107102       -3.6986411971        3.8496321639
  F         8.8176062618       -4.5678561103        4.3252665440
  F        10.7197093203       -4.4527805447        3.2285349157
  F         9.1412057741       -2.9678292107        2.8542580441
  C        13.8516463688        0.6099824740        6.3553410625
  C        14.3434703573        1.9090792489        6.5663613042
  C        15.3255988377        2.1857281892        7.5275553861
  C        15.8683081366        1.1713220526        8.3125786869
  C        15.4107792915       -0.1341970471        8.1018073068
  C        14.4277724655       -0.4069164984        7.1447992171
  C        16.0231857654       -1.2295984288        8.9228895700
  F        16.0412474448       -0.8758229228       10.2623954444
  F        17.3295512848       -1.4915863871        8.5808317989
  F        15.3720347148       -2.4176529509        8.8047199178
  C        15.8733981297        3.5756884790        7.6226742482
  F        16.4767286437        3.8576946139        8.8088215423
  F        14.9141002353        4.5287258631        7.4083806343
  F        16.8296273478        3.7883765835        6.6595459315
  H        13.9462686200        1.9639082851        3.1557054681
  H        13.8538951808       -2.1837837880        4.2992738020
  H        16.1124377635       -0.9629882711        0.8521373449
  H        11.4228945971        0.9190147665        2.7800723401
  H         8.9920734171        4.2201628750        4.0922405185
  H        11.7167260064        2.3318920486        6.8328587818
  H        11.5686462804       -1.7694862169        3.5541221397
  H         9.0923279521       -3.6941428439        6.5030018547
  H        11.6726741030       -0.4496278350        7.6455157812
  H        13.9588329535        2.7330383844        5.9667258977
  H        16.6291035284        1.3897982121        9.0584854750
  H        14.1042293870       -1.4371241568        7.0104312222
  H        10.7989728065       11.7766369356        4.7162675950
  H        11.5976095339       10.0507463529        3.1282954887
     646
 i =      132, E =         0.0040009846
 Rh         3.6465335339        0.2405217157        4.8215170749
  P         5.3904283349        0.6385642095        6.2887190126
  C         5.2302464072       -0.3078277486        7.8719107761
  C         4.8398238149       -1.7832152100        7.6600329266
  C         4.5349104744       -2.4444559070        9.0146943146
  C         5.7188808177       -2.3262784424        9.9849684778
  C         6.1848525384       -0.8711971416       10.1423218744
  C         6.4603532293       -0.1987126581        8.7863907501
  C         5.6695347141        2.4061362126        6.8090349249
  C         4.6347675123        2.8232990772        7.8778230954
  C         4.6344397651        4.3325331006        8.1710411001
  C         4.5453936806        5.1653139562        6.8894164616
  C         5.6926096159        4.8039690663        5.9434645722
  C         5.6298179701        3.3186209158        5.5639309838
  C         7.0032732291        0.0956170620        5.5216645961
  C         6.9757165541        0.2322160677        3.9901598095
  P         5.3125322399       -0.2371625329        3.2947468617
  C         5.4744187615       -2.0238084351        2.7922703025
  C         4.3892240728       -2.4023911656        1.7642961547
  C         4.3837939220       -3.9047590087        1.4611792329
  C         4.2479278487       -4.7438052883        2.7337363040
  C         5.3852390643       -4.4224896725        3.7079268352
  C         5.4171986645       -2.9232323893        4.0484528677
  C         5.1239269860        0.7016619319        1.7097164528
  C         4.8420319655        2.2012225006        1.9261597051
  C         4.4301383148        2.8433051897        0.5905320623
  C         5.5029143319        2.6434300606       -0.4914907633
  C         5.8928129360        1.1643115469       -0.6475229651
  C         6.2672373337        0.5147058764        0.6979710231
  C         1.8865335086        0.3174240653        3.4714379209
  C         1.9111994231       -0.9312609787        4.0990339431
  C         1.0783057595       -0.7969171613        5.3883566396
  C         1.9478534373        0.1359469446        6.2586215548
  C         1.9219647827        1.3838911330        5.6343533799
  C         1.0367448106        1.2331987263        4.3807125654
  C        -0.0046694130        0.2059200660        4.9040247306
  H         4.3800734770        0.1870220884        8.3703106568
  H         5.6630982282       -2.3202695655        7.1653519547
  H         3.9712963790       -1.8547580223        6.9879291191
  H         4.2655765453       -3.4999259661        8.8671640939
  H         3.6504353785       -1.9588294555        9.4524056833
  H         5.4415681953       -2.7399599262       10.9654560367
  H         6.5541310656       -2.9394063021        9.6201925569
  H         7.0938085630       -0.8229485056       10.7601674322
  H         5.4067604353       -0.2976787663       10.6702233877
  H         6.7526807368        0.8482770833        8.9400882351
  H         7.3129785984       -0.6903289639        8.3003482843
  H         6.6780784317        2.4604351036        7.2503468766
  H         4.8261998920        2.2767849419        8.8110511119
  H         3.6293734927        2.5232768062        7.5507411254
  H         5.5529919501        4.6044678291        8.7105505959
  H         3.7980806178        4.5630538736        8.8466858972
  H         4.5586332903        6.2358435544        7.1366319404
  H         3.5857037394        4.9817073241        6.3837252626
  H         6.6526821549        5.0240537183        6.4301162237
  H         5.6609580414        5.4116175253        5.0297240017
  H         6.4573289233        3.0668070805        4.8843591510
  H         4.7000129722        3.1232357138        5.0048375007
  H         7.8411482848        0.6581846059        5.9581160273
  H         7.1431348998       -0.9560035586        5.8098753413
  H         7.7682006643       -0.3672140719        3.5193302881
  H         7.1465258734        1.2771175374        3.6953274709
  H         6.4630380561       -2.1393870512        2.3189280385
  H         4.5356002332       -1.8421571910        0.8308854425
  H         3.3992999553       -2.1099804997        2.1394215383
  H         5.3176564725       -4.1731659855        0.9465694390
  H         3.5655284429       -4.1244919391        0.7636938546
  H         4.2395577654       -5.8122679000        2.4780308026
  H         3.2781222069       -4.5413758502        3.2123895496
  H         5.2756253053       -4.9947303588        4.6413803717
  H         6.3456840871       -4.7245263970        3.2653689063
  H         6.2764569635       -2.7118324465        4.7010209471
  H         4.5173206050       -2.6607341921        4.6279870862
  H         4.2091308283        0.2608002524        1.2790396982
  H         5.7446501141        2.6988559543        2.3113323405
  H         4.0568518203        2.3389053242        2.6854250117
  H         4.2269729415        3.9138828087        0.7331184945
  H         3.4834098640        2.3909668661        0.2588005137
  H         6.3959059840        3.2311637861       -0.2331700951
  H         5.1418628339        3.0397724695       -1.4519403273
  H         6.7349040011        1.0653851048       -1.3483355422
  H         5.0485173853        0.6092732367       -1.0869717843
  H         7.1777820076        0.9843865845        1.0912208770
  H         6.5013402494       -0.5472526012        0.5496207594
  H         2.1221272991        0.5321457605        2.4329149228
  H         2.1781367238       -1.8857297832        3.6554204679
  H         0.7600901874       -1.7330536389        5.8533326050
  H         2.2396129305       -0.0790735908        7.2826233188
  H         2.2002032762        2.3403253747        6.0673871594
  H         0.6777798924        2.1627850647        3.9318052234
  H        -0.6238295296        0.5967381652        5.7178782133
  H        -0.6363009944       -0.2033956530        4.1086475888
 Rh        14.7192003202       19.6372153957       14.9745135683
  P        12.9594467646       19.2084851483       13.5252220718
  C        13.1336001377       20.1902476254       11.9606750370
  C        13.5088065911       21.6630533483       12.2126262488
  C        13.8473084221       22.3613572008       10.8851155647
  C        12.6882355549       22.2602914559        9.8837148437
  C        12.2493154810       20.8033869008        9.6746525780
  C        11.9362190345       20.0918687031       11.0038049222
  C        12.6692746351       17.4543371064       12.9652098609
  C        13.6839102180       17.0369732268       11.8791947406
  C        13.6105582979       15.5359614378       11.5582179152
  C        13.7803881763       14.6951890277       12.8263277636
  C        12.6813441992       15.0364364758       13.8368892537
  C        12.7064626465       16.5290531829       14.2023107310
  C        11.3395571139       19.7092883115       14.3186780454
  C        11.4074059781       19.6656190632       15.8565405690
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  F         7.4985017308        5.8848502096        3.2978764751
  F         5.7122582621        5.6252534392        2.0531075570
  F         0.7126010064       15.0294918429        6.2356601438
  F         0.8948557981       13.3791590967        7.6961059525
  F         2.6778974654       14.5683298331        7.1196821344
  C         1.5258363132       13.9967940937        6.6376759598
  H         7.6954033640        8.6056364765        0.8710804190
  H         5.1352459701        7.3454726951        4.0868677494
  H         5.4752179773       11.5270518162        3.1277004626
  H         2.8235475171        7.9334065067        3.5982608043
  H         0.5907713650        5.9717276733        6.7133558445
  H         3.2761801455        9.2008823063        7.6772249466
  H         5.5747190801        8.1739333176        6.7335398943
  H         8.0472361841       10.8354643618        9.0343880893
  H         5.4860177484       12.3841165323        5.9344743169
  H         2.9097809064       10.6163477875        2.7194364056
  H         0.5439272236       13.9432715214        4.0759378399
  H         3.2178880548       11.9472853770        6.7952010292
  F         9.9828195772        8.3887148978       18.4854457381
  C        11.2758027228        8.6561146664       18.8871528739
  F        11.9352131189        7.4693092017       18.8445138146
  F        11.2165853490        9.0173501415       20.2226195212
  C        11.8823223493        9.7246037282       18.0214326744
  C        11.4383211400       11.0394039493       18.2018869025
  C        11.8886467276       12.0128952323       17.3101033917
  C        12.7688975095       11.6836128972       16.2709038839
  C        13.2432811018       10.3741368584       16.0776990391
  C        12.7631598126        9.4021238891       16.9812196290
  B        14.1546122073        9.9822277825       14.7699422024
  C        15.1602760667       11.1873440835       14.3002982750
  C        15.7622339333       12.0575116984       15.2246281832
  C        16.7009817341       13.0217509835       14.8368708854
  C        17.0861919043       13.1513983560       13.4976100968
  C        16.5062770285       12.2870042552       12.5610768833
  C        15.5682985403       11.3274697834       12.9600128827
  C        16.8419251313       12.3974288551       11.0968759552
  F        17.8574614834       13.2700348936       10.8526251541
  F        15.7544621152       12.8159683330       10.3460792417
  F        17.2354584427       11.1907832048       10.5612845401
  C        17.2387217479       13.9425092326       15.8966675958
  F        16.2460419682       14.6728223994       16.4976465702
  F        18.1482943431       14.8385617303       15.4057611723
  F        17.8386247023       13.2541334496       16.9335448352
  C        13.0482438570        9.6454343804       13.5990011251
  C        12.4465314913       10.6745432380       12.8455843878
  C        11.4657207358       10.4124479692       11.8793614599
  C        11.0432999996        9.1069087324       11.6279680902
  C        11.6014257287        8.0756945045       12.3851909054
  C        12.5749974102        8.3414076284       13.3540310069
  C        11.0271668773        6.6993340265       12.2313382028
  F        10.4971607778        6.4948799827       10.9941367996
  F        11.9227957767        5.6913911622       12.4654604818
  F        10.0061907132        6.4975450392       13.1314399903
  C        10.9015950928       11.5269386871       11.0437710209
  F         9.7392107214       11.1773504406       10.4114546145
  F        10.6238850090       12.6600546357       11.7442901137
  F        11.7671834458       11.8873442930       10.0449222097
  C        15.1910812142        8.7409655629       15.0503792861
  C        15.8559007956        8.5666988087       16.2866455652
  C        16.8096580284        7.5591413882       16.4639151354
  C        17.1168585149        6.6700895832       15.4302701054
  C        16.4815483585        6.8326559142       14.2066930491
  C        15.5572573880        7.8645841799       14.0134242142
  C        17.4841007335        7.2670092124       17.7701525992
  F        17.6134819950        8.3288811301       18.6222060130
  F        16.7937471100        6.3146469795       18.4806026469
  F        18.7590351247        6.7893946940       17.5408663272
  C        11.3919321118       13.4255262062       17.4305745506
  F        10.7857772735       13.6684129531       18.6260628675
  F        10.4813614181       13.7338624952       16.4320426041
  F        12.4023280515       14.3403982672       17.3058498798
  F        17.6300905552        4.8718173381       13.4871252655
  F        17.3766722451        6.5266073957       12.0280807801
  F        15.6573058222        5.2684416760       12.6115349493
  C        16.7877517681        5.8815818674       13.0908105517
  H        10.7473620896       11.2950901998       19.0003144306
  H        13.0884116312       12.4723934926       15.5910170115
  H        13.0701626958        8.3650167174       16.8606346651
  H        15.4909138321       11.9897635707       16.2769720594
  H        17.7987181685       13.9118415171       13.1927942117
  H        15.1402071861       10.6747137820       12.2004818366
  H        12.7467826585       11.7082646689       13.0154032595
  H        10.2817421225        8.8987843725       10.8831546216
  H        12.9699787773        7.5095193594       13.9351341294
  H        15.6279927714        9.2303654999       17.1205147830
  H        17.8288088940        5.8669005961       15.5835863775
  H        15.1082017435        7.9791445798       13.0287454429
  F         2.7322111273       18.6344045771       20.0998873882
  C         2.7312977361       18.2903268621       18.7687522660
  F         1.4069205080       18.0793502616       18.4728935838
  F         3.3601098890       17.0876068821       18.6304844713
  C         3.3392134861       19.3553968293       17.9110162879
  C         4.1821441483       19.0334155361       16.8414066503
  C         4.6938518023       20.0199260020       15.9737090873
  C         4.2774861983       21.3388355202       16.2243621447
  C         3.4391592703       21.6638976449       17.2989568070
  C         2.9652422155       20.6784853848       18.1607052474
  C         2.9233909928       23.0646432721       17.4349753882
  F         2.2995790013       23.2920497965       18.6245253538
  F         3.9024889744       24.0238431243       17.3051572248
  F         1.9924206945       23.2935011559       16.4315294154
  B         5.6120657128       19.6369562266       14.6723778594
  C         6.6495574941       18.4107508457       14.9704363271
  C         7.2666913050       18.2775559403       16.2264803115
  C         8.2432051511       17.3082500200       16.4686368115
  C         8.6447104712       16.4191019522       15.4711194385
  C         8.0499521167       16.5420738493       14.2158863328
  C         7.0844324332       17.5257039232       13.9678943106
  C         8.4236284628       15.5964745175       13.1144567970
  F         7.3129374698       15.0303948634       12.5392921237
  F         9.2158638940       14.5688399850       13.5620434304
  F         9.1081866888       16.2276874567       12.1007868352
  C         8.7837155024       17.1549417631       17.8521127297
  F         8.9100610338       18.3673356878       18.4839332664
  F        10.0144809676       16.5639809004       17.8928623575
  F         7.9539026794       16.3793676887       18.6303255695
  C         6.6335307382       20.8494896530       14.2680945970
  C         7.2139134051       21.6968936868       15.2308870180
  C         8.1645352960       22.6657157198       14.8895640065
  C         8.5909093476       22.8202076846       13.5670696181
  C         8.0395010693       21.9747249632       12.6042102810
  C         7.0858614783       21.0116611325       12.9485384771
  C         8.4040182298       22.1123327019       11.1581365632
  F         8.8235294807       20.9056001781       10.6312814842
  F         9.3802720987       23.0321353601       10.9270496975
  F         7.3246977884       22.5146495893       10.4081526375
  C         8.6820535618       23.5848782126       15.9564934048
  F         9.6015964884       24.4688809870       15.4764511814
  F         7.6876621844       24.3577358492       16.5044679512
  F         9.2705168275       22.8896046554       17.0029095361
  C         4.5421091010       19.2820420183       13.4809246702
  C         4.0525339192       17.9792276764       13.2697824171
  C         3.0835958295       17.6952719407       12.2965758647
  C         2.5593316121       18.7114590635       11.4964535163
  C         3.0183524475       20.0181335834       11.7030739263
  C         3.9794036381       20.2951905841       12.6786072239
  C         2.3989278877       21.1148183933       10.8865919374
  F         2.3719267525       20.7825407629        9.5418394927
  F         1.0898848447       21.3346530701       11.2601137499
  F         3.0364083167       22.3171654250       10.9981436988
  C         2.5088396574       16.3089196982       12.1877267709
  F         1.9322708533       16.0519342846       10.9843876326
  F         3.4285249094       15.3141546393       12.3965127486
  F         1.5223917836       16.1210078643       13.1306241839
  H         4.4377254263       17.9882810122       16.6726964266
  H         4.6068988416       22.1374972350       15.5620757487
  H         2.3030439778       20.9290237647       18.9850660131
  H         6.9821960204       18.9464380131       17.0371731479
  H         9.3822823359       15.6488157562       15.6724330290
  H         6.6596274300       17.5944151379       12.9674085949
  H         6.9147843821       21.6096386109       16.2746761353
  H         9.3128620883       23.5830472097       13.2945236970
  H         6.6833243079       20.3749801819       12.1620985172
  H         4.4303566505       17.1599060885       13.8798518640
  H         1.8063491292       18.4931619155       10.7432130621
  H         4.2985523033       21.3267155299       12.8158385221
  F        15.6189482498        1.2747974690       -0.2929804184
  C        15.6623215163        1.6684246707        1.0283465961
  F        16.9915041098        1.8963529504        1.3185924284
  F        15.0496088416        2.8843823124        1.1019160986
  C        15.0745243424        0.6116865214        1.9255556428
  C        14.2253634380        0.9235979349        2.9941655301
  C        13.7295609627       -0.0719138723        3.8649060260
  C        14.1699820928       -1.3842470688        3.6301934563
  C        15.0056903247       -1.7038335520        2.5556784564
  C        15.4616080299       -0.7131666697        1.6855754020
  C        15.4681873213       -3.1196138109        2.3837937342
  F        16.0486725864       -3.3177219742        1.1713111947
  F        14.4478154694       -4.0414039555        2.4965006507
  F        16.4091025818       -3.4511360736        3.3545330399
  B        12.7866803934        0.2704071926        5.1583333398
  C        11.7365472360        1.4826858225        4.8454909238
  C        11.1267023304        1.5954590307        3.5810490510
  C        10.1464704168        2.5558249997        3.3192182519
  C         9.7321281475        3.4555058583        4.3058201106
  C        10.3178012193        3.3527854460        5.5649959511
  C        11.2915496758        2.3793797796        5.8310980337
  C         9.9541463236        4.3108938996        6.6596865201
  F        11.0922258113        4.8782188480        7.1884417409
  F         9.1362957537        5.3318458265        6.2380058304
  F         9.3071756274        3.6815737747        7.6991101705
  C         9.6233648236        2.7198059016        1.9282181254
  F         9.4966947752        1.5339035740        1.2494121997
  F         8.4026901537        3.3407200373        1.9034941917
  F        10.4693426950        3.4758562913        1.1635610673
  C        11.7844869489       -0.9635082436        5.5508402682
  C        11.2436506044       -1.8388358751        4.5914103436
  C        10.2909485524       -2.8072870165        4.9268466650
  C         9.8243372910       -2.9381735057        6.2377113297
  C        10.3409336806       -2.0711458515        7.1989878755
  C        11.2986745403       -1.1071977460        6.8619234509
  C         9.9457297733       -2.1878412515        8.6397410762
  F         9.5858851448       -0.9740511846        9.1687675045
  F         8.9074682983       -3.0503850452        8.8702097719
  F        11.0139176186       -2.6144485274        9.3929538193
  C         9.7512715783       -3.6986122468        3.8495986072
  F         8.8176144389       -4.5678612143        4.3252499420
  F        10.7196981580       -4.4527928515        3.2285448149
  F         9.1411735702       -2.9678307713        2.8542212286
  C        13.8518126727        0.6102628877        6.3551981176
  C        14.3435853499        1.9090592017        6.5661399610
  C        15.3251833248        2.1852480884        7.5269257763
  C        15.8688508092        1.1712000853        8.3125049147
  C        15.4106304300       -0.1340928311        8.1013719977
  C        14.4278322079       -0.4067100291        7.1448286351
  C        16.0231057085       -1.2295286321        8.9227163104
  F        16.0413365605       -0.8758301686       10.2624591819
  F        17.3296874555       -1.4916757273        8.5809460044
  F        15.3720458677       -2.4177973593        8.8047677277
  C        15.8737299877        3.5758185012        7.6219461256
  F        16.4772210942        3.8578843541        8.8094082835
  F        14.9138180059        4.5288889970        7.4081934313
  F        16.8293949262        3.7882414443        6.6597234095
  H        13.9457238624        1.9637532029        3.1551535152
  H        13.8529787286       -2.1839553363        4.2985095641
  H        16.1134698243       -0.9628650347        0.8526999021
  H        11.4229654828        0.9194573719        2.7799126849
  H         8.9919899551        4.2204246732        4.0921711139
  H        11.7167833014        2.3319925137        6.8327620376
  H        11.5676211044       -1.7686667622        3.5538325840
  H         9.0927441406       -3.6945752151        6.5031231723
  H        11.6724567120       -0.4493838659        7.6453488947
  H        13.9589299699        2.7329166056        5.9664362647
  H        16.6294043279        1.3895836037        9.0575670286
  H        14.1037724800       -1.4373587869        7.0104371959
  H        10.7983988610       11.7772165864        4.7134243354
  H        11.5969782608       10.0493481665        3.1278170446
     646
 i =      133, E =         0.0016995726
 Rh         3.6467712498        0.2406112129        4.8215928314
  P         5.3905987571        0.6385721403        6.2889163676
  C         5.2302995179       -0.3081185993        7.8718586630
  C         4.8401791371       -1.7836014269        7.6596726092
  C         4.5348882467       -2.4449797342        9.0141413072
  C         5.7187556282       -2.3270819861        9.9845738980
  C         6.1846882923       -0.8720314556       10.1423602925
  C         6.4602074658       -0.1990384687        8.7867037769
  C         5.6695189211        2.4061630268        6.8092773562
  C         4.6345044149        2.8235139141        7.8777447584
  C         4.6352149681        4.3326763948        8.1712203112
  C         4.5457090799        5.1655148995        6.8896499219
  C         5.6922954509        4.8040205168        5.9429832373
  C         5.6299328932        3.3184940780        5.5640357289
  C         7.0034829028        0.0958282469        5.5217596821
  C         6.9758983067        0.2324019204        3.9902431678
  P         5.3127441612       -0.2371709551        3.2948904144
  C         5.4750521660       -2.0237909930        2.7924819350
  C         4.3901485642       -2.4024393189        1.7642116274
  C         4.3840506345       -3.9049193920        1.4616021651
  C         4.2482405219       -4.7436143959        2.7343903214
  C         5.3858991882       -4.4223544842        3.7081712531
  C         5.4177245660       -2.9231504947        4.0487162207
  C         5.1235111818        0.7014322996        1.7098180441
  C         4.8413638525        2.2009579473        1.9263268381
  C         4.4301075090        2.8434280004        0.5907120166
  C         5.5033898485        2.6437640167       -0.4908233538
  C         5.8924820917        1.1645387489       -0.6474420788
  C         6.2665553686        0.5142818116        0.6978222472
  C         1.8867742499        0.3174119511        3.4715847106
  C         1.9113251317       -0.9309233413        4.0993613865
  C         1.0785278415       -0.7963583221        5.3886321439
  C         1.9481945573        0.1366835447        6.2587714411
  C         1.9224454131        1.3845362867        5.6341428358
  C         1.0371057276        1.2335543574        4.3804635864
  C        -0.0043821010        0.2065353409        4.9041165226
  H         4.3799220497        0.1864502809        8.3702195629
  H         5.6637935907       -2.3204384304        7.1653204156
  H         3.9719854855       -1.8552107035        6.9871934505
  H         4.2654219850       -3.5003953713        8.8664326577
  H         3.6504189463       -1.9592893207        9.4517902505
  H         5.4413897592       -2.7410465160       10.9649468014
  H         6.5540291385       -2.9401437034        9.6196791721
  H         7.0936472597       -0.8239621231       10.7602173678
  H         5.4065770413       -0.2987487029       10.6704707751
  H         6.7521952609        0.8479931460        8.9407768699
  H         7.3130429530       -0.6902385049        8.3005969242
  H         6.6779105018        2.4605463456        7.2508718692
  H         4.8251075139        2.2765881982        8.8108890543
  H         3.6290527974        2.5243419530        7.5500830165
  H         5.5543163237        4.6040118071        8.7100986314
  H         3.7994626694        4.5636505006        8.8474332112
  H         4.5593980413        6.2360513672        7.1368801343
  H         3.5856333771        4.9822010926        6.3845840130
  H         6.6526561448        5.0248171211        6.4286787707
  H         5.6595505934        5.4111557260        5.0289263541
  H         6.4577339390        3.0667375238        4.8847521927
  H         4.7003557949        3.1226642293        5.0046931311
  H         7.8413197281        0.6584402495        5.9582147976
  H         7.1434176114       -0.9557751099        5.8099602089
  H         7.7683995126       -0.3670684848        3.5194725945
  H         7.1467597384        1.2773022173        3.6953535375
  H         6.4638279936       -2.1392124405        2.3194448223
  H         4.5373355160       -1.8426949635        0.8306039681
  H         3.4001940377       -2.1092724954        2.1386941274
  H         5.3176492349       -4.1738598367        0.9468257597
  H         3.5655109431       -4.1245053982        0.7643735393
  H         4.2394726522       -5.8121424669        2.4789103952
  H         3.2786255240       -4.5408003268        3.2133083394
  H         5.2767398526       -4.9946797692        4.6416247997
  H         6.3462017659       -4.7242352220        3.2652024479
  H         6.2768697704       -2.7116108478        4.7013758652
  H         4.5177517888       -2.6607224176        4.6281105160
  H         4.2086056598        0.2603799954        1.2794701133
  H         5.7436831138        2.6986157441        2.3121523320
  H         4.0557469721        2.3382990320        2.6852233539
  H         4.2269406401        3.9139745161        0.7335722965
  H         3.4835046827        2.3912695741        0.2583360976
  H         6.3965565744        3.2308304453       -0.2315750711
  H         5.1431365952        3.0409218759       -1.4512507319
  H         6.7345423250        1.0653454618       -1.3482576232
  H         5.0478526230        0.6101431405       -1.0871303923
  H         7.1774717878        0.9831959351        1.0911219882
  H         6.4999068449       -0.5477998170        0.5491132390
  H         2.1224207728        0.5319843811        2.4328034456
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 Rh        14.7192510532       19.6372880257       14.9744584737
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 Rh         5.9555717274       10.0603495317       14.9870159744
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 Rh        12.6583357295        9.8054116249        4.6976629517
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  F         7.3491735684       10.8245918925       -0.2357315520
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  C         6.4459740813        7.8479252393        2.4605272598
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  C         5.1560541658        9.4843773739        3.7720033862
  C         5.7320478985       10.4826184959        2.9553996533
  B         4.2398176632        9.8982950461        5.0762378360
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  C         2.5850884565        7.8539921078        4.6584252206
  C         1.6580065871        6.8800231283        5.0588892886
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  C         1.8889728496        7.6053497172        7.3253813152
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  F         2.6870299750        7.1595784424        9.5339492021
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  F         0.1939710212        5.0744347974        4.3301591293
  F         0.6518241284        6.7256424011        2.9281021094
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  C         5.9005033006        9.1900679727        6.9470189295
  C         6.8571191754        9.3855049010        7.9437328410
  C         7.3149783044       10.6704319473        8.2511724838
  C         6.8179096727       11.7410119311        7.4914842298
  C         5.8558407516       11.5262504196        6.4936691292
  C         7.3341675840       13.1428141254        7.6993369299
  F         7.8476725349       13.3440891142        8.9474647431
  F         6.3556533537       14.0812052878        7.4844475063
  F         8.3397018209       13.4810370899        6.8170062779
  C         7.2735811757        8.1350301437        8.6611605846
  F         8.4343999565        8.2299810344        9.3838868775
  F         7.4254604964        7.0999993284        7.7768509620
  F         6.2866733258        7.7318031575        9.5347770960
  C         3.2302808169       11.1399876995        4.7876593407
  C         2.6305617019       11.2871892073        3.5294439079
  C         1.6662150281       12.2684844028        3.2889007009
  C         1.2723016364       13.1636330738        4.2810327426
  C         1.8550164189       13.0325451965        5.5371736214
  C         2.8034482237       12.0278442638        5.7913676671
  C         1.1060633404       12.3796574229        1.9154075466
  F         1.0153988592       11.1553032474        1.3117161378
  F         1.8932996010       13.1555980076        1.0973892069
  F        -0.1574085661       12.9027222893        1.9035654760
  C         6.8216123256        6.4134552998        2.2178969133
  F         7.6153182763        6.2390182028        1.1138989633
  F         7.4984940404        5.8848364958        3.2978499065
  F         5.7122802152        5.6252583250        2.0530500865
  F         0.7127095740       15.0293617217        6.2353937349
  F         0.8947514858       13.3790977220        7.6961264843
  F         2.6779546591       14.5684789861        7.1196377004
  C         1.5259821508       13.9967740027        6.6379560527
  H         7.6945159935        8.6055223710        0.8703414152
  H         5.1359497124        7.3456124908        4.0875183117
  H         5.4756818132       11.5271266133        3.1280246045
  H         2.8239539848        7.9330980206        3.5984897661
  H         0.5908358183        5.9716726890        6.7133619928
  H         3.2756112358        9.2015260678        7.6771944947
  H         5.5741749406        8.1742345313        6.7342557014
  H         8.0475094481       10.8355033838        9.0343690256
  H         5.4863710578       12.3841617428        5.9342142524
  H         2.9098830947       10.6168194042        2.7196883352
  H         0.5429715883       13.9434606804        4.0759605214
  H         3.2183298741       11.9478013359        6.7948860248
  F         9.9828247114        8.3887461831       18.4855340121
  C        11.2758311980        8.6560142398       18.8868794744
  F        11.9352334470        7.4692284238       18.8445600823
  F        11.2164982316        9.0174745944       20.2228156187
  C        11.8822376387        9.7247807148       18.0214939377
  C        11.4385243393       11.0394207272       18.2018936281
  C        11.8885355111       12.0128138649       17.3103814123
  C        12.7689560259       11.6836085749       16.2708555138
  C        13.2431372556       10.3740952868       16.0777228786
  C        12.7629995271        9.4020357095       16.9810668167
  B        14.1549057150        9.9819698388       14.7700628559
  C        15.1602692046       11.1873415384       14.3000370401
  C        15.7621643024       12.0576306018       15.2244624848
  C        16.7009743875       13.0218057595       14.8368780593
  C        17.0862185724       13.1513782244       13.4975388750
  C        16.5061088300       12.2868270639       12.5613223104
  C        15.5683054233       11.3272648610       12.9599704496
  C        16.8421968231       12.3973242200       11.0969939791
  F        17.8574950363       13.2700883252       10.8524482592
  F        15.7542587758       12.8160667026       10.3458346621
  F        17.2353940115       11.1907882901       10.5611781111
  C        17.2386717715       13.9424736594       15.8966197743
  F        16.2461197040       14.6728071219       16.4976460703
  F        18.1482655437       14.8385105690       15.4058130691
  F        17.8386022245       13.2542228566       16.9335021315
  C        13.0477902825        9.6450613181       13.5987968344
  C        12.4464294898       10.6744560597       12.8454877261
  C        11.4657449948       10.4128455977       11.8791999197
  C        11.0435800656        9.1070064475       11.6279301228
  C        11.6017840107        8.0759184750       12.3855249184
  C        12.5749943950        8.3412941221       13.3545097302
  C        11.0270626929        6.6992311278       12.2313008070
  F        10.4970718187        6.4947527129       10.9939241774
  F        11.9229272183        5.6912880864       12.4654690541
  F        10.0060550629        6.4974398151       13.1316203408
  C        10.9015100321       11.5266022815       11.0440335925
  F         9.7394625145       11.1777677979       10.4115699232
  F        10.6241988885       12.6597080068       11.7437991331
  F        11.7668320191       11.8878282707       10.0452333729
  C        15.1905182945        8.7416276285       15.0508766524
  C        15.8556245671        8.5668815389       16.2866628167
  C        16.8097976608        7.5588380925       16.4635077711
  C        17.1168815186        6.6702789602       15.4301708306
  C        16.4822927557        6.8318808063       14.2068473966
  C        15.5571564092        7.8644734545       14.0136920309
  C        17.4840672841        7.2670130240       17.7704023163
  F        17.6134986831        8.3291748501       18.6223762202
  F        16.7935474507        6.3144670893       18.4805236128
  F        18.7592491692        6.7892243021       17.5407629104
  C        11.3919782746       13.4254521722       17.4305399552
  F        10.7858247015       13.6684667560       18.6259843681
  F        10.4814098397       13.7339728624       16.4321221986
  F        12.4022488395       14.3404543532       17.3058707707
  F        17.6306986143        4.8723712384       13.4877481644
  F        17.3766221607        6.5268007541       12.0282998520
  F        15.6566159307        5.2694324450       12.6113222263
  C        16.7876460271        5.8813001556       13.0906220782
  H        10.7476688494       11.2951225006       19.0005414375
  H        13.0884387468       12.4723861587       15.5910629944
  H        13.0697797120        8.3648814437       16.8603170442
  H        15.4905839815       11.9899889681       16.2770869516
  H        17.7987239890       13.9117857844       13.1928038057
  H        15.1404771723       10.6746089864       12.2006576864
  H        12.7467803658       11.7083612972       13.0153508401
  H        10.2818830193        8.8986762587       10.8825200086
  H        12.9693007263        7.5099544383       13.9353239495
  H        15.6278675669        9.2301917802       17.1203318398
  H        17.8289020442        5.8673438874       15.5833406513
  H        15.1075968804        7.9789610855       13.0283084715
  F         2.7315677134       18.6326420357       20.0999763584
  C         2.7311652736       18.2911132839       18.7679369209
  F         1.4072917214       18.0786996679       18.4739738627
  F         3.3589881521       17.0875766184       18.6317363284
  C         3.3399338194       19.3555033640       17.9099195122
  C         4.1820953845       19.0330451929       16.8414164622
  C         4.6932125977       20.0193125697       15.9748220107
  C         4.2774915734       21.3387567389       16.2247489382
  C         3.4392086846       21.6639350367       17.2988817989
  C         2.9649642083       20.6781437338       18.1607000996
  C         2.9234082699       23.0644698409       17.4347764900
  F         2.2999373002       23.2924117179       18.6242390480
  F         3.9021738709       24.0238550286       17.3054849588
  F         1.9925631654       23.2936108010       16.4318083099
  B         5.6123092887       19.6368376916       14.6720014101
  C         6.6493894655       18.4105399999       14.9705239154
  C         7.2664962419       18.2774375792       16.2265526085
  C         8.2434256968       17.3079327746       16.4685405010
  C         8.6447332715       16.4193456348       15.4710467622
  C         8.0501671046       16.5419121512       14.2161025521
  C         7.0841316872       17.5256768809       13.9679333378
  C         8.4236062488       15.5964618568       13.1144807581
  F         7.3129864685       15.0304853490       12.5390969592
  F         9.2159453847       14.5688460555       13.5620268354
  F         9.1081157388       16.2276180882       12.1007390746
  C         8.7836956149       17.1549660452       17.8521037082
  F         8.9101606372       18.3673311561       18.4839618709
  F        10.0144330871       16.5640168813       17.8928542701
  F         7.9539590571       16.3793382151       18.6303183550
  C         6.6337369281       20.8493635105       14.2680343278
  C         7.2140904472       21.6966425777       15.2309490500
  C         8.1645576587       22.6656542663       14.8896316070
  C         8.5907672258       22.8202516691       13.5670212349
  C         8.0393566841       21.9745725082       12.6043155560
  C         7.0859027239       21.0114744161       12.9485224527
  C         8.4040244497       22.1123780666       11.1581639271
  F         8.8235411343       20.9055655745       10.6312364384
  F         9.3802925590       23.0321334780       10.9268989250
  F         7.3247436077       22.5146294911       10.4081073200
  C         8.6820675758       23.5848754044       15.9564584249
  F         9.6015974093       24.4688655785       15.4764476326
  F         7.6876735728       24.3577299913       16.5044497471
  F         9.2705481392       22.8895877616       17.0029277825
  C         4.5421420407       19.2821437676       13.4810540181
  C         4.0526570969       17.9791467168       13.2699560231
  C         3.0832327867       17.6953491294       12.2961505102
  C         2.5595300316       18.7115185960       11.4966672814
  C         3.0181136261       20.0178619240       11.7028613664
  C         3.9795230185       20.2952247182       12.6787673619
  C         2.3989111616       21.1148135769       10.8866908313
  F         2.3720549741       20.7826330272        9.5418840271
  F         1.0899138584       21.3346675295       11.2601463860
  F         3.0363974212       22.3172026383       10.9979412524
  C         2.5088735476       16.3089067991       12.1877171708
  F         1.9323634626       16.0520061915       10.9844570749
  F         3.4285276523       15.3141327595       12.3964574179
  F         1.5223574369       16.1209911160       13.1306151396
  H         4.4374832877       17.9890306278       16.6727751581
  H         4.6074232356       22.1379829221       15.5620881663
  H         2.3025493119       20.9291085113       18.9848905887
  H         6.9819199654       18.9461642660       17.0373389477
  H         9.3826697940       15.6490789618       15.6723067929
  H         6.6593448143       17.5940986709       12.9675557383
  H         6.9151540795       21.6092570222       16.2747928798
  H         9.3125835019       23.5833157422       13.2944606835
  H         6.6834706686       20.3748662257       12.1622087937
  H         4.4303206117       17.1598667560       13.8798870676
  H         1.8063030899       18.4931793877       10.7432718233
  H         4.2985375660       21.3266991342       12.8159373305
  F        15.6184253590        1.2753342789       -0.2930494470
  C        15.6624505324        1.6683861424        1.0284922532
  F        16.9916238591        1.8963010455        1.3186273398
  F        15.0495358820        2.8842051368        1.1013269580
  C        15.0743460073        0.6117183733        1.9257353292
  C        14.2252861101        0.9234352546        2.9937787889
  C        13.7293585893       -0.0720394087        3.8646152306
  C        14.1697446629       -1.3843302467        3.6297452175
  C        15.0054508194       -1.7037579704        2.5559400793
  C        15.4621244005       -0.7131946296        1.6854801424
  C        15.4680361253       -3.1194897184        2.3835794127
  F        16.0487094531       -3.3178318094        1.1713629420
  F        14.4478402897       -4.0414471007        2.4965273042
  F        16.4092224815       -3.4513178473        3.3546165125
  B        12.7866097667        0.2704647607        5.1582329747
  C        11.7364782548        1.4829554804        4.8453698699
  C        11.1267273391        1.5956801451        3.5809498393
  C        10.1466262664        2.5557974337        3.3191682296
  C         9.7320121871        3.4557542492        4.3058034203
  C        10.3179816960        3.3527262267        5.5650976474
  C        11.2915112234        2.3795421598        5.8309692300
  C         9.9540537594        4.3108736343        6.6595151857
  F        11.0921692832        4.8781207491        7.1886376913
  F         9.1362776704        5.3318832567        6.2381146981
  F         9.3074822889        3.6817515116        7.6991422262
  C         9.6232705507        2.7198928314        1.9281009045
  F         9.4968584810        1.5337290006        1.2493933158
  F         8.4026050734        3.3409263420        1.9036030736
  F        10.4694059755        3.4759052704        1.1635422341
  C        11.7842593078       -0.9632248254        5.5507749461
  C        11.2430839894       -1.8386533329        4.5913506075
  C        10.2909611822       -2.8070935010        4.9266869810
  C         9.8242355113       -2.9385079063        6.2377693519
  C        10.3411133337       -2.0709004023        7.1990067618
  C        11.2983990344       -1.1071995923        6.8618382851
  C         9.9457568360       -2.1878570007        8.6396837241
  F         9.5858013773       -0.9741065723        9.1687995814
  F         8.9074676868       -3.0503451175        8.8702901425
  F        11.0138848420       -2.6144555484        9.3929673475
  C         9.7512246518       -3.6986063046        3.8496234563
  F         8.8176103260       -4.5678556286        4.3252486376
  F        10.7196836712       -4.4527744377        3.2285550369
  F         9.1411642287       -2.9678348791        2.8541990112
  C        13.8517709132        0.6103362232        6.3549744086
  C        14.3432319243        1.9091221753        6.5655145699
  C        15.3256646404        2.1850538964        7.5272118696
  C        15.8684774321        1.1709746084        8.3116988106
  C        15.4111650483       -0.1340258627        8.1017271233
  C        14.4275001098       -0.4068452849        7.1445209293
  C        16.0229778219       -1.2294698442        8.9225535616
  F        16.0412880842       -0.8759348362       10.2622166723
  F        17.3295038057       -1.4917116695        8.5810581392
  F        15.3722449518       -2.4176286229        8.8049043890
  C        15.8738061270        3.5760421635        7.6218973514
  F        16.4772743280        3.8575295325        8.8094215693
  F        14.9134369543        4.5289039469        7.4081290521
  F        16.8295552139        3.7880396098        6.6596022192
  H        13.9452830548        1.9637754294        3.1547783964
  H        13.8522894548       -2.1840977260        4.2979775966
  H        16.1140836001       -0.9627224230        0.8532815334
  H        11.4230340112        0.9197300775        2.7797326958
  H         8.9919760676        4.2205521614        4.0921223262
  H        11.7167958588        2.3320673245        6.8326370380
  H        11.5669082716       -1.7680541840        3.5535129206
  H         9.0931837200       -3.6947601783        6.5031646973
  H        11.6723110731       -0.4491735870        7.6452532840
  H        13.9590654693        2.7327253521        5.9663203211
  H        16.6299596545        1.3895359810        9.0572513269
  H        14.1035182169       -1.4373155280        7.0104822742
  H        10.7979642591       11.7776573847        4.7112679409
  H        11.5965503361       10.0482840658        3.1274527388
     646
 i =      134, E =         0.0000390308
 Rh         3.6468124712        0.2406293384        4.8216184810
  P         5.3906243487        0.6385770827        6.2889299511
  C         5.2303122748       -0.3081683240        7.8718648693
  C         4.8402356569       -1.7836412886        7.6596251772
  C         4.5348897047       -2.4450538231        9.0140636501
  C         5.7187385908       -2.3271959146        9.9845162618
  C         6.1846641090       -0.8721525369       10.1423649813
  C         6.4601797291       -0.1990835317        8.7867391887
  C         5.6695091053        2.4061667773        6.8093134478
  C         4.6344752127        2.8235464833        7.8777330394
  C         4.6353286926        4.3326926571        8.1712376876
  C         4.5457498728        5.1655462588        6.8896867815
  C         5.6922455623        4.8040281755        5.9429105320
  C         5.6299501937        3.3184716724        5.5640397366
  C         7.0035095819        0.0958632812        5.5217727166
  C         6.9759277083        0.2324375610        3.9902502241
  P         5.3127693553       -0.2371763938        3.2949094180
  C         5.4751429995       -2.0237901304        2.7925153219
  C         4.3902696776       -2.4024361437        1.7641949765
  C         4.3840799783       -3.9049452039        1.4616570526
  C         4.2482778715       -4.7435958911        2.7344873537
  C         5.3859914137       -4.4223338340        3.7082075233
  C         5.4178013479       -2.9231364028        4.0487450945
  C         5.1234408557        0.7013984350        1.7098228460
  C         4.8412714952        2.2009162695        1.9263599027
  C         4.4300988657        2.8434496413        0.5907336534
  C         5.5034548607        2.6438167878       -0.4907300862
  C         5.8924334732        1.1645678276       -0.6474350435
  C         6.2664617024        0.5142218075        0.6978009570
  C         1.8868254883        0.3174962986        3.4714819483
  C         1.9113642465       -0.9310263240        4.0994032162
  C         1.0785590571       -0.7962495419        5.3886896398
  C         1.9482186957        0.1368133093        6.2587203480
  C         1.9224921122        1.3845550190        5.6340922232
  C         1.0371613483        1.2336037317        4.3804623967
  C        -0.0043436928        0.2066264972        4.9041477634
  H         4.3799013632        0.1863730639        8.3702069648
  H         5.6638903261       -2.3204614991        7.1653094883
  H         3.9720724195       -1.8552704656        6.9870845238
  H         4.2654035701       -3.5004654180        8.8663242043
  H         3.6504136197       -1.9593576925        9.4517020487
  H         5.4413636516       -2.7412003889       10.9648719673
  H         6.5540151427       -2.9402468629        9.6196060463
  H         7.0936255339       -0.8241062626       10.7602262137
  H         5.4065494982       -0.2988992977       10.6705064593
  H         6.7521295312        0.8479550847        8.9408766683
  H         7.3130550386       -0.6902254874        8.3006331497
  H         6.6778939659        2.4605626165        7.2509433536
  H         4.8249623289        2.2765602391        8.8108702729
  H         3.6290103021        2.5244883454        7.5499960402
  H         5.5545045167        4.6039496660        8.7100355542
  H         3.7996539581        4.5637343234        8.8475422851
  H         4.5595034636        6.2360772395        7.1369122590
  H         3.5856256698        4.9822668737        6.3847046583
  H         6.6526580067        5.0249216019        6.4284822434
  H         5.6593563008        5.4110898426        5.0288199005
  H         6.4577809032        3.0667286786        4.8848072276
  H         4.7004020918        3.1225861145        5.0046778792
  H         7.8413442784        0.6584804391        5.9582262915
  H         7.1434620196       -0.9557448238        5.8099718267
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  F         6.4847896666       12.3778921326        1.0306057704
  F         7.3491586565       10.8245676686       -0.2357498117
  C         6.6270571470       10.1720271668        1.9265023924
  C         6.9993702722        8.8487737573        1.6687211869
  C         6.4460294032        7.8479561053        2.4604605290
  C         5.5430050717        8.1606804388        3.4902243526
  C         5.1560772085        9.4844142732        3.7720524662
  C         5.7320514943       10.4826414826        2.9554549149
  B         4.2398128779        9.8982654174        5.0762390408
  C         3.2172720027        8.7110934259        5.5722978441
  C         2.5850569095        7.8539268052        4.6584753812
  C         1.6579970803        6.8799858272        5.0588535140
  C         1.2940595303        6.7380787128        6.3998569269
  C         1.8890028227        7.6054048929        7.3253549668
  C         2.8274331524        8.5625573654        6.9175959043
  C         1.5838700361        7.5067005826        8.7954923812
  F         0.6297351921        6.5792945096        9.0909585599
  F         2.6870920400        7.1595472687        9.5340044172
  F         1.1749447066        8.7178269716        9.3117747638
  C         1.1557818267        5.9763981207        3.9695555166
  F         2.1806520630        5.2392782133        3.4408422944
  F         0.1940134550        5.0744561939        4.3301154751
  F         0.6518093808        6.7256308554        2.9280807862
  C         5.3449074516       10.2459723841        6.2189301554
  C         5.9004421511        9.1900701348        6.9470489641
  C         6.8571891161        9.3855809814        7.9438238022
  C         7.3149573423       10.6704358760        8.2511331092
  C         6.8179352200       11.7409429815        7.4915175832
  C         5.8558310582       11.5262455135        6.4936390278
  C         7.3341616650       13.1427688530        7.6993243034
  F         7.8476630181       13.3442523574        8.9474271739
  F         6.3557003165       14.0812429241        7.4844949991
  F         8.3397078642       13.4810783958        6.8170357598
  C         7.2735614683        8.1350397702        8.6611538968
  F         8.4343877665        8.2299683944        9.3838783353
  F         7.4254660988        7.0999833956        7.7768648191
  F         6.2866911276        7.7317863466        9.5347733270
  C         3.2305840371       11.1397610211        4.7878047654
  C         2.6296228856       11.2882971538        3.5294496783
  C         1.6673831982       12.2669309545        3.2884339047
  C         1.2708616507       13.1650881306        4.2805857093
  C         1.8562457156       13.0316335591        5.5383820436
  C         2.8026507330       12.0286520940        5.7908708071
  C         1.1059201196       12.3798544510        1.9155117855
  F         1.0154779880       11.1552769419        1.3117975754
  F         1.8933543242       13.1555778101        1.0973734834
  F        -0.1574823272       12.9027332285        1.9035280401
  C         6.8216028207        6.4134585984        2.2178943261
  F         7.6153133815        6.2390289658        1.1139039507
  F         7.4985007217        5.8848292803        3.2978638492
  F         5.7122768158        5.6252553269        2.0530635685
  F         0.7126803004       15.0294318880        6.2355084518
  F         0.8948082013       13.3790819743        7.6961267685
  F         2.6779524056       14.5683987191        7.1196445016
  C         1.5258361731       13.9968524246        6.6377177588
  H         7.6944095504        8.6055077972        0.8702364248
  H         5.1360439891        7.3456393895        4.0876027543
  H         5.4757419489       11.5271337688        3.1280682963
  H         2.8240311873        7.9330671086        3.5984273839
  H         0.5908689424        5.9716898049        6.7133482897
  H         3.2755230053        9.2015914371        7.6771577297
  H         5.5740819942        8.1742184271        6.7343393367
  H         8.0475379262       10.8354969658        9.0343572194
  H         5.4864238462       12.3841355507        5.9341968730
  H         2.9100215167       10.6166106027        2.7194303460
  H         0.5434330726       13.9428538809        4.0761321152
  H         3.2185061258       11.9478257840        6.7950951745
  F         9.9828139025        8.3887214498       18.4854991963
  C        11.2758165770        8.6560486253       18.8869897855
  F        11.9352256897        7.4692476007       18.8445278853
  F        11.2165296585        9.0174369220       20.2227482654
  C        11.8823051194        9.7246763920       18.0214283783
  C        11.4384453122       11.0394417894       18.2020247353
  C        11.8886411051       12.0128609268       17.3102382926
  C        12.7688798891       11.6836035652       16.2709529630
  C        13.2431681412       10.3741017868       16.0776665720
  C        12.7629279339        9.4020529614       16.9811059314
  B        14.1547875040        9.9820315585       14.7700369877
  C        15.1602561980       11.1873344540       14.3000891546
  C        15.7621134808       12.0576209154       15.2245180994
  C        16.7009732197       13.0218091003       14.8368429856
  C        17.0861848277       13.1513491809       13.4975858446
  C        16.5061726914       12.2868625619       12.5612366165
  C        15.5683147004       11.3272617359       12.9599976932
  C        16.8420970336       12.3973637508       11.0969548455
  F        17.8574868151       13.2700602802       10.8524971807
  F        15.7543352785       12.8160288462       10.3459238465
  F        17.2354259789       11.1907748546       10.5611961565
  C        17.2386827390       13.9424855021       15.8966434392
  F        16.2460899818       14.6728112855       16.4976490191
  F        18.1482790844       14.8385213024       15.4057852423
  F        17.8386018903       13.2541952823       16.9335023674
  C        13.0478911866        9.6451993369       13.5988910127
  C        12.4464475070       10.6745379476       12.8454989263
  C        11.4657621112       10.4126444254       11.8792480422
  C        11.0435430964        9.1070021484       11.6278527278
  C        11.6016426107        8.0758472277       12.3854169989
  C        12.5748538240        8.3413815787       13.3544079264
  C        11.0271003976        6.6992950338       12.2313230756
  F        10.4971237174        6.4947539852       10.9940298374
  F        11.9228547176        5.6913106042       12.4654238135
  F        10.0060925508        6.4974373455       13.1315409105
  C        10.9015462915       11.5267031359       11.0439497525
  F         9.7393704428       11.1776433576       10.4115089833
  F        10.6241107912       12.6598311058       11.7439428012
  F        11.7669344136       11.8877205556       10.0451308390
  C        15.1906074298        8.7414298961       15.0507299710
  C        15.8557361168        8.5667272848       16.2866545918
  C        16.8096530105        7.5590975465       16.4636763465
  C        17.1170576480        6.6701290019       15.4302163641
  C        16.4819395297        6.8321932332       14.2066435210
  C        15.5571826750        7.8643886683       14.0136961401
  C        17.4840802754        7.2669938704       17.7703256157
  F        17.6134791584        8.3290860448       18.6223136182
  F        16.7936050394        6.3145346357       18.4805550919
  F        18.7592075004        6.7892649310       17.5407967481
  C        11.3919622451       13.4254678068       17.4305718014
  F        10.7858082312       13.6684408316       18.6260081759
  F        10.4814015116       13.7339340482       16.4320995141
  F        12.4022799455       14.3404372436       17.3058549687
  F        17.6306015489        4.8722334317       13.4875985448
  F        17.3766329986        6.5267702460       12.0282633399
  F        15.6567417263        5.2692341523       12.6113585032
  C        16.7876909132        5.8813406322       13.0906923362
  H        10.7477344313       11.2951158923       19.0005426153
  H        13.0884473888       12.4723980418       15.5910561267
  H        13.0697327699        8.3648535947       16.8602779716
  H        15.4905630139       11.9900193681       16.2770161582
  H        17.7987403048       13.9117940911       13.1927888531
  H        15.1404833015       10.6745520920       12.2006261645
  H        12.7467725406       11.7082956761       13.0153481418
  H        10.2820204699        8.8986826779       10.8825616089
  H        12.9693165451        7.5098224404       13.9354915363
  H        15.6278448226        9.2302202167       17.1203984172
  H        17.8289505877        5.8673736210       15.5833349792
  H        15.1076108529        7.9789069680       13.0284405915
  F         2.7317105225       18.6330055653       20.0999388873
  C         2.7311263965       18.2909205014       18.7680468906
  F         1.4072548495       18.0788433528       18.4737814909
  F         3.3592058387       17.0875715346       18.6315179307
  C         3.3396364106       19.3555843370       17.9102623775
  C         4.1821315591       19.0330775217       16.8413568409
  C         4.6934092875       20.0194230323       15.9745468547
  C         4.2775722834       21.3388037735       16.2246731027
  C         3.4390739000       21.6638545616       17.2990731082
  C         2.9650296347       20.6782242942       18.1605448011
  C         2.9234421155       23.0645254123       17.4347949112
  F         2.2998378241       23.2922361669       18.6243064460
  F         3.9022537142       24.0238588016       17.3054052085
  F         1.9924967938       23.2935920629       16.4317427925
  B         5.6122336465       19.6368509357       14.6721354657
  C         6.6493584644       18.4105335974       14.9705163580
  C         7.2665649586       18.2773122424       16.2265737889
  C         8.2432806190       17.3081244165       16.4686250308
  C         8.6449096685       16.4191907109       15.4710678786
  C         8.0499931036       16.5420311351       14.2159543229
  C         7.0842343451       17.5255300142       13.9680007724
  C         8.4236350924       15.5964522380       13.1144914888
  F         7.3129743046       15.0304672478       12.5391571852
  F         9.2159251850       14.5688353350       13.5620258337
  F         9.1081286692       16.2276422504       12.1007581601
  C         8.7837205633       17.1549399880       17.8521071879
  F         8.9101197278       18.3673341562       18.4839415732
  F        10.0144554335       16.5639959096       17.8928568955
  F         7.9539435511       16.3793518402       18.6303147980
  C         6.6337428745       20.8493351974       14.2680753700
  C         7.2141156776       21.6966149257       15.2309615291
  C         8.1645512571       22.6656338887       14.8896267656
  C         8.5907373282       22.8202509254       13.5670446574
  C         8.0393887981       21.9745981221       12.6042654981
  C         7.0859131521       21.0114647739       12.9485469041
  C         8.4040279041       22.1123472881       11.1581613614
  F         8.8235278856       20.9055824377       10.6312660394
  F         9.3802753972       23.0321277587       10.9269353467
  F         7.3247368396       22.5146386699       10.4081170653
  C         8.6820793852       23.5848695303       15.9564816995
  F         9.6015971018       24.4688682924       15.4764463919
  F         7.6876667156       24.3577332836       16.5044518171
  F         9.2705363797       22.8895933914       17.0029183629
  C         4.5421485082       19.2820928482       13.4810685033
  C         4.0525011163       17.9791977238       13.2697879034
  C         3.0834798828       17.6952650587       12.2964358758
  C         2.5593125872       18.7114829538       11.4964427315
  C         3.0183121991       20.0180469909       11.7030502339
  C         3.9793825465       20.2951664868       12.6786405544
  C         2.3989167187       21.1147977835       10.8866588044
  F         2.3720296141       20.7826242216        9.5418651729
  F         1.0898748387       21.3346837736       11.2600468849
  F         3.0363855632       22.3171746300       10.9979885980
  C         2.5088389617       16.3089149444       12.1876898219
  F         1.9323393451       16.0519746564       10.9844386683
  F         3.4285306126       15.3141465661       12.3964739913
  F         1.5223700673       16.1209873623       13.1306249167
  H         4.4375099473       17.9888688888       16.6727493767
  H         4.6074525614       22.1379023186       15.5621810506
  H         2.3025159060       20.9290673169       18.9848357720
  H         6.9818820201       18.9461326361       17.0373714917
  H         9.3826764854       15.6491592235       15.6722798426
  H         6.6592945890       17.5940614035       12.9675514481
  H         6.9152035339       21.6092033155       16.2747945367
  H         9.3125416712       23.5833460576       13.2944492661
  H         6.6834738806       20.3748253309       12.1621945024
  H         4.4303329275       17.1598170721       13.8799239161
  H         1.8063569531       18.4931989156       10.7433386421
  H         4.2985409254       21.3267201194       12.8159529212
  F        15.6185789754        1.2751647094       -0.2930259423
  C        15.6624118634        1.6684268432        1.0284649016
  F        16.9916047071        1.8962800437        1.3186079466
  F        15.0495382652        2.8842622003        1.1014816300
  C        15.0745195979        0.6116024448        1.9255517081
  C        14.2251345222        0.9235157283        2.9938916613
  C        13.7293260683       -0.0720321727        3.8645755885
  C        14.1695850231       -1.3843346672        3.6298640790
  C        15.0056251045       -1.7037414141        2.5556828551
  C        15.4619841584       -0.7131478404        1.6857368698
  C        15.4680423368       -3.1195445561        2.3836562241
  F        16.0486944895       -3.3177975447        1.1713559311
  F        14.4478471183       -4.0414243396        2.4965030558
  F        16.4091895991       -3.4512636748        3.3545791776
  B        12.7866050647        0.2704818216        5.1581926141
  C        11.7364851223        1.4829723617        4.8453641725
  C        11.1267771626        1.5956564485        3.5809317447
  C        10.1465130434        2.5559601187        3.3191986213
  C         9.7321141620        3.4556585996        4.3058206604
  C        10.3178692363        3.3527967968        5.5649448856
  C        11.2915874642        2.3795023000        5.8310192488
  C         9.9540036067        4.3108748556        6.6595455385
  F        11.0922512158        4.8782013592        7.1886669608
  F         9.1362873540        5.3318694694        6.2380903056
  F         9.3074359785        3.6817189924        7.6991289568
  C         9.6232898788        2.7198676021        1.9281223373
  F         9.4968178090        1.5337788338        1.2493863995
  F         8.4026367143        3.3408893672        1.9035717825
  F        10.4693873087        3.4759130175        1.1635290052
  C        11.7841790344       -0.9632488542        5.5507447371
  C        11.2431602673       -1.8384812656        4.5912701310
  C        10.2908047939       -2.8072056750        4.9268014543
  C         9.8244452835       -2.9383096192        6.2377445397
  C        10.3409511453       -2.0710976584        7.1989418983
  C        11.2984967762       -1.1070442284        6.8618396105
  C         9.9457713024       -2.1878295875        8.6397027414
  F         9.5858121685       -0.9740999438        9.1687927678
  F         8.9074718846       -3.0503515159        8.8702640823
  F        11.0138903177       -2.6144591948        9.3929668697
  C         9.7512346604       -3.6985925556        3.8495922957
  F         8.8176110799       -4.5678518002        4.3252595880
  F        10.7196841305       -4.4527746690        3.2285571821
  F         9.1411632202       -2.9678356854        2.8541998192
  C        13.8516876899        0.6102554595        6.3548848182
  C        14.3435652090        1.9090501900        6.5658502032
  C        15.3253175197        2.1853135374        7.5267528026
  C        15.8689315358        1.1710515328        8.3121015599
  C        15.4107455529       -0.1343113583        8.1013270757
  C        14.4277447383       -0.4067312398        7.1447502018
  C        16.0230657261       -1.2294632572        8.9226317406
  F        16.0412729274       -0.8759066140       10.2622727723
  F        17.3295524750       -1.4917016866        8.5809810483
  F        15.3721614076       -2.4176553727        8.8048294197
  C        15.8737503211        3.5759216822        7.6220239923
  F        16.4771927607        3.8576114447        8.8093183418
  F        14.9135907417        4.5288370339        7.4081795937
  F        16.8295822340        3.7881292095        6.6595620302
  H        13.9452475130        1.9637146960        3.1547141987
  H        13.8522135854       -2.1840873582        4.2978777720
  H        16.1142471528       -0.9627344908        0.8532528438
  H        11.4230465919        0.9197631228        2.7797100583
  H         8.9919491307        4.2205920239        4.0921121126
  H        11.7167875867        2.3320778171        6.8325973242
  H        11.5667924340       -1.7679816008        3.5535278527
  H         9.0931501234       -3.6948844518        6.5032034689
  H        11.6722693731       -0.4491795430        7.6452059701
  H        13.9590040977        2.7328585636        5.9661870092
  H        16.6298415247        1.3894842618        9.0570276428
  H        14.1034689659       -1.4373369754        7.0104737818
  H        10.7979007578       11.7777233788        4.7109560048
  H        11.5964636774       10.0481270468        3.1274130268
     646
 i =      135, E =         0.0030878893
 Rh         3.6470252910        0.2407125129        4.8217056043
  P         5.3907770143        0.6386018492        6.2890624062
  C         5.2303760031       -0.3084497925        7.8718798876
  C         4.8405681058       -1.7839114172        7.6593036806
  C         4.5348836595       -2.4455295541        9.0135812263
  C         5.7186351708       -2.3279165370        9.9841699201
  C         6.1845184449       -0.8729005089       10.1424037506
  C         6.4600316013       -0.1993566643        8.7869680744
  C         5.6694754526        2.4061883554        6.8095254292
  C         4.6342818450        2.8237332115        7.8776591921
  C         4.6360250455        4.3328099699        8.1713695109
  C         4.5460081294        5.1657213367        6.8898981600
  C         5.6919539522        4.8040638663        5.9424780240
  C         5.6300418394        3.3183423995        5.5640925829
  C         7.0036828290        0.0960726355        5.5218517779
  C         6.9761017414        0.2326352031        3.9903053507
  P         5.3129373812       -0.2372039434        3.2950337079
  C         5.4756907377       -2.0237883172        2.7927112658
  C         4.3910506355       -2.4024706517        1.7641190189
  C         4.3842964329       -3.9050956768        1.4620307664
  C         4.2485441005       -4.7434521094        2.7350738659
  C         5.3865655913       -4.4222192856        3.7084232874
  C         5.4182802459       -2.9230567209        4.0489422284
  C         5.1230620585        0.7012126039        1.7098746127
  C         4.8407090680        2.2006651342        1.9265308981
  C         4.4300635361        2.8435705818        0.5908824965
  C         5.5038615453        2.6441337193       -0.4901507881
  C         5.8921441494        1.1647659951       -0.6473786470
  C         6.2658832615        0.5138673665        0.6976667459
  C         1.8870729374        0.3175302421        3.4714628185
  C         1.9115117695       -0.9308804590        4.0996386815
  C         1.0787454706       -0.7956869269        5.3889912736
  C         1.9484598052        0.1374378096        6.2587383737
  C         1.9228548263        1.3850384150        5.6338217080
  C         1.0374960563        1.2339382113        4.3803290972
  C        -0.0040984737        0.2071550302        4.9042518156
  H         4.3797854790        0.1858853981        8.3701190257
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  H        13.9038369573       10.3266022176       -1.1904696599
  H        15.6173195376       10.6134314187       -1.5156541705
  H        13.2784906142        9.6759822889        8.2496931469
  H        12.9306510727        7.5624207061        6.9614506034
  H        14.6183010182        7.1260190921        7.2228587357
  H        13.1169183204        6.0580477602        8.9408635465
  H        12.5348353188        7.6481496355        9.4187213099
  H        14.2912606712        6.8962284413       11.0077373555
  H        15.4195848041        6.6313277793        9.6862115660
  H        15.9484695263        8.7993322008       10.7369868245
  H        14.2638766041        9.3221872010       10.5967911720
  H        16.2219819636        8.8426730082        8.2839099707
  H        15.6187854022       10.3957094218        8.8489979225
  H        10.0319800635       10.0544425799        2.4636898534
  H        11.2100373182        9.4252010757        7.1997300122
  H         9.0912437951       10.6882985233        6.4549618246
  H         8.0380529807        9.3654378904        4.3350960674
  H         8.5357629941        8.2113793333        5.6114073581
  H        10.0044099258        7.7567672287        3.4150011691
  H         9.1592280185       11.5894965841        4.0710623142
  H        11.6131647436        7.4132289732        5.4371095270
  F         8.5025324242       11.5984313856        1.4657440042
  C         7.2278725299       11.2412485506        1.0649693691
  F         6.4847254836       12.3779120246        1.0306216817
  F         7.3491114309       10.8244995130       -0.2358091915
  C         6.6270668430       10.1719843836        1.9263993779
  C         6.9990847149        8.8487196162        1.6684670653
  C         6.4460792504        7.8479704210        2.4604228204
  C         5.5433277994        8.1607222068        3.4904489796
  C         5.1562097219        9.4845203935        3.7723145563
  C         5.7322782544       10.4827139770        2.9555633141
  B         4.2398982931        9.8982306343        5.0762602069
  C         3.2173446607        8.7113729624        5.5724618842
  C         2.5851265698        7.8537797285        4.6585790512
  C         1.6579158127        6.8797775124        5.0588959609
  C         1.2941049124        6.7380851979        6.3998128443
  C         1.8889601274        7.6054802175        7.3251859127
  C         2.8272555586        8.5628676228        6.9176079805
  C         1.5837160469        7.5067079200        8.7954926545
  F         0.6297196464        6.5792429160        9.0908913084
  F         2.6872580788        7.1594627272        9.5341381361
  F         1.1748855154        8.7179660112        9.3118252965
  C         1.1558389970        5.9764312527        3.9697165378
  F         2.1805972116        5.2392405063        3.4408311222
  F         0.1941840152        5.0745569459        4.3299835130
  F         0.6517772302        6.7255812244        2.9280378046
  C         5.3448105869       10.2462210989        6.2190463353
  C         5.9002588619        9.1902020169        6.9474192470
  C         6.8572773054        9.3857459125        7.9440549790
  C         7.3150819711       10.6705196920        8.2511620890
  C         6.8179602630       11.7407180748        7.4915226602
  C         5.8559477292       11.5263274059        6.4936172962
  C         7.3341586385       13.1426353126        7.6993221165
  F         7.8476304925       13.3447773216        8.9472766510
  F         6.3558641777       14.0813350672        7.4846402685
  F         8.3397262407       13.4812094522        6.8171264696
  C         7.2735224865        8.1351064783        8.6611819761
  F         8.4343414084        8.2299120562        9.3838438707
  F         7.4254749009        7.0999416911        7.7769019877
  F         6.2867526603        7.7317249323        9.5347440902
  C         3.2305630442       11.1401690301        4.7878447658
  C         2.6299488572       11.2881955810        3.5294877676
  C         1.6671439602       12.2671595952        3.2883959841
  C         1.2709773289       13.1647220445        4.2807921464
  C         1.8561810907       13.0317185959        5.5382752999
  C         2.8030620302       12.0286758647        5.7909317745
  C         1.1058901601       12.3798056517        1.9154205533
  F         1.0155291140       11.1552186621        1.3118637143
  F         1.8934250642       13.1556298829        1.0974287044
  F        -0.1575375368       12.9027946640        1.9036997196
  C         6.8215932972        6.4134834179        2.2178624808
  F         7.6152910433        6.2390554811        1.1139293300
  F         7.4985047748        5.8848222143        3.2979015411
  F         5.7122718447        5.6252590685        2.0531190711
  F         0.7126315201       15.0294641323        6.2356414405
  F         0.8948282184       13.3791432743        7.6961159563
  F         2.6779002847       14.5683565988        7.1196730519
  C         1.5258541824       13.9968401258        6.6376699806
  H         7.6936438552        8.6054411450        0.8697050716
  H         5.1365979628        7.3457283280        4.0881714382
  H         5.4760958633       11.5272404280        3.1283479966
  H         2.8244504450        7.9328514448        3.5982517148
  H         0.5910055667        5.9717209399        6.7132975713
  H         3.2749876457        9.2020288821        7.6769838429
  H         5.5735096451        8.1741271713        6.7348565117
  H         8.0476350899       10.8354559380        9.0341914053
  H         5.4867251078       12.3840386199        5.9340525619
  H         2.9101894642       10.6167650006        2.7193334620
  H         0.5428964347       13.9427192788        4.0761951589
  H         3.2188254151       11.9482484879        6.7947612296
  F         9.9827847520        8.3886540474       18.4853951345
  C        11.2757930633        8.6561191847       18.8873107803
  F        11.9351945368        7.4692882088       18.8444452704
  F        11.2166279369        9.0173242359       20.2225246412
  C        11.8822453008        9.7245938887       18.0214837797
  C        11.4385763981       11.0394351489       18.2020781307
  C        11.8886731798       12.0129041383       17.3102446998
  C        12.7688615522       11.6836096376       16.2709576268
  C        13.2431537102       10.3740986829       16.0775894499
  C        12.7628274970        9.4019863802       16.9809504978
  B        14.1544093028        9.9822073698       14.7699559621
  C        15.1601808667       11.1872992648       14.3003255775
  C        15.7619606046       12.0576685253       15.2245807813
  C        16.7008575785       13.0217577658       14.8368765800
  C        17.0861640939       13.1513166520       13.4975998465
  C        16.5063124207       12.2868891406       12.5610019241
  C        15.5684444153       11.3272776606       12.9600120603
  C        16.8418022543       12.3974866671       11.0968312760
  F        17.8574602168       13.2699714159       10.8526547494
  F        15.7545680976       12.8159093483       10.3462031311
  F        17.2355183610       11.1907288626       10.5612554502
  C        17.2387271201       13.9425262138       15.8966863093
  F        16.2459895277       14.6728242066       16.4976596217
  F        18.1483185757       14.8385606936       15.4057069026
  F        17.8385932335       13.2541054912       16.9334999141
  C        13.0481296981        9.6457803739       13.5991523921
  C        12.4465086469       10.6746325740       12.8455662324
  C        11.4658281964       10.4121354150       11.8793538724
  C        11.0434865583        9.1068015002       11.6275850220
  C        11.6010809778        8.0757314327       12.3849655700
  C        12.5743602315        8.3415499699       13.3542368513
  C        11.0272162220        6.6994966408       12.2313978109
  F        10.4972804923        6.4947817536       10.9943533762
  F        11.9226377483        5.6913714171       12.4653015839
  F        10.0062045226        6.4974409409       13.1312988218
  C        10.9016458695       11.5270063497       11.0436677510
  F         9.7391035288       11.1772571434       10.4113332698
  F        10.6238416733       12.6601898691       11.7443918580
  F        11.7672567372       11.8873661372       10.0448213717
  C        15.1909507417        8.7406632169       15.0503262452
  C        15.8556698418        8.5666724147       16.2866548799
  C        16.8096821693        7.5592585798       16.4640008975
  C        17.1169520579        6.6704273888       15.4300520640
  C        16.4814036333        6.8327398954       14.2065873268
  C        15.5567803744        7.8644222324       14.0134113934
  C        17.4840754773        7.2670284786       17.7701202494
  F        17.6134437596        8.3288086750       18.6221525596
  F        16.7937882818        6.3147312960       18.4806481949
  F        18.7590481627        6.7893969280       17.5408803711
  C        11.3919519448       13.4255337069       17.4306196771
  F        10.7857609818       13.6683364271       18.6260825250
  F        10.4813656512       13.7338095021       16.4320383399
  F        12.4023750795       14.3404031143       17.3058184270
  F        17.6302542302        4.8718172069       13.4871407233
  F        17.3766932369        6.5266361257       12.0281537301
  F        15.6572009823        5.2685219308       12.6114967453
  C        16.7877459741        5.8815445522       13.0907994235
  H        10.7479283846       11.2951557151       19.0007920982
  H        13.0884441716       12.4723669066       15.5911173271
  H        13.0694115984        8.3647616091       16.8600499197
  H        15.4903723761       11.9901960312       16.2768144098
  H        17.7987504830       13.9117514586       13.1927602454
  H        15.1405654633       10.6742708420       12.2005303011
  H        12.7467602523       11.7081639919       13.0153307420
  H        10.2826180220        8.8986932761       10.8825580860
  H        12.9691546765        7.5094824265       13.9361678863
  H        15.6277506428        9.2302054788       17.1205343334
  H        17.8295019130        5.8672595038       15.5833231188
  H        15.1075982213        7.9785993794       13.0290768734
  F         2.7321780110       18.6342287640       20.0998334455
  C         2.7309557837       18.2903133543       18.7684939388
  F         1.4070675413       18.0793056656       18.4731343883
  F         3.3599448056       17.0875785565       18.6307275964
  C         3.3389300964       19.3555399458       17.9109940127
  C         4.1819769579       19.0334262107       16.8414502132
  C         4.6940923823       20.0198860471       15.9736091495
  C         4.2776845769       21.3388810500       16.2247886597
  C         3.4389998311       21.6638585361       17.2991144725
  C         2.9647290915       20.6785062742       18.1605598933
  C         2.9235042751       23.0646337874       17.4349435502
  F         2.2995278900       23.2917073981       18.6244920419
  F         3.9025021692       24.0238331436       17.3051280471
  F         1.9923214947       23.2935209674       16.4315320941
  B         5.6120017110       19.6368402565       14.6725686084
  C         6.6493350738       18.4103110027       14.9705629548
  C         7.2663649859       18.2772172403       16.2266479125
  C         8.2432704147       17.3081268820       16.4687001067
  C         8.6449726276       16.4193192540       15.4709841221
  C         8.0499520708       16.5419922484       14.2159014274
  C         7.0840981055       17.5253404691       13.9680234266
  C         8.4236515877       15.5964707205       13.1144564573
  F         7.3129469447       15.0303761096       12.5393463402
  F         9.2158540005       14.5688253276       13.5620496876
  F         9.1081989317       16.2277050892       12.1008199808
  C         8.7837622517       17.1549211386       17.8521603595
  F         8.9100172511       18.3673525544       18.4839138759
  F        10.0145164117       16.5639279403       17.8928380330
  F         7.9538993226       16.3793733357       18.6303067839
  C         6.6338079350       20.8491704653       14.2682433420
  C         7.2142715578       21.6964360825       15.2310361574
  C         8.1645268478       22.6655381942       14.8896634157
  C         8.5906196910       22.8202934728       13.5670633949
  C         8.0394552608       21.9746444624       12.6041462179
  C         7.0859993462       21.0113986479       12.9486082630
  C         8.4040336883       22.1122485944       11.1581480244
  F         8.8234899079       20.9056240626       10.6313533744
  F         9.3802224554       23.0321097245       10.9270545224
  F         7.3247128532       22.5146662414       10.4081449611
  C         8.6821060447       23.5848316116       15.9565438463
  F         9.6015950339       24.4688734748       15.4764450243
  F         7.6876507693       24.3577410047       16.5044537385
  F         9.2705021361       22.8896140594       17.0028914533
  C         4.5420018592       19.2819581860       13.4809529386
  C         4.0525028126       17.9791980565       13.2698441348
  C         3.0835876221       17.6952867749       12.2965520293
  C         2.5593807503       18.7114426592       11.4965220019
  C         3.0183215342       20.0181274993       11.7030860503
  C         3.9794482045       20.2951807608       12.6787647923
  C         2.3990011983       21.1148403791       10.8866346135
  F         2.3718917319       20.7825779166        9.5418668528
  F         1.0898374906       21.3346788111       11.2601385612
  F         3.0363356106       22.3171284499       10.9981012812
  C         2.5088439794       16.3088920642       12.1877047580
  F         1.9322656066       16.0519188286       10.9843829537
  F         3.4285140992       15.3141570637       12.3965034538
  F         1.5223808857       16.1209834874       13.1306339924
  H         4.4376096138       17.9881638931       16.6726234030
  H         4.6077163322       22.1377094041       15.5625651242
  H         2.3024165743       20.9288541974       18.9843411781
  H         6.9816895341       18.9458413232       17.0374674689
  H         9.3830653455       15.6492933611       15.6721987844
  H         6.6590886374       17.5937944159       12.9677354996
  H         6.9155116510       21.6088760844       16.2748195659
  H         9.3122558118       23.5835059554       13.2944015117
  H         6.6835242982       20.3746186540       12.1621695212
  H         4.4302457290       17.1598371732       13.8798929587
  H         1.8062208670       18.4931875516       10.7432654206
  H         4.2984900689       21.3266582891       12.8160041148
  F        15.6190631023        1.2746478840       -0.2929724904
  C        15.6623581189        1.6684976855        1.0282945238
  F        16.9915424284        1.8962514865        1.3185511209
  F        15.0495448289        2.8844130247        1.1020223747
  C        15.0745896077        0.6117261263        1.9255218524
  C        14.2249506525        0.9234800178        2.9937083337
  C        13.7290167533       -0.0720002498        3.8645062788
  C        14.1693341520       -1.3843574864        3.6295809680
  C        15.0056373355       -1.7039092434        2.5556349765
  C        15.4622350949       -0.7131283278        1.6858574544
  C        15.4681249797       -3.1196536747        2.3838041409
  F        16.0486626630       -3.3177351282        1.1713129727
  F        14.4478498339       -4.0413425914        2.4964459706
  F        16.4090710471       -3.4511029729        3.3544661167
  B        12.7865170964        0.2705573366        5.1579947613
  C        11.7365932305        1.4830301717        4.8453357014
  C        11.1267229128        1.5959139281        3.5808357430
  C        10.1464438235        2.5561553083        3.3191677497
  C         9.7320354267        3.4557798460        4.3056923387
  C        10.3178342439        3.3528395076        5.5647889049
  C        11.2916004134        2.3796070798        5.8309586424
  C         9.9538436901        4.3109114212        6.6595996486
  F        11.0924783811        4.8784241693        7.1887230240
  F         9.1363011791        5.3318510240        6.2380243256
  F         9.3072936409        3.6816050682        7.6990695157
  C         9.6233245908        2.7198669486        1.9282067764
  F         9.4966988656        1.5339328225        1.2493768278
  F         8.4027054496        3.3407755721        1.9034449521
  F        10.4693315180        3.4759371645        1.1634744058
  C        11.7839605808       -0.9630715932        5.5506331887
  C        11.2428404373       -1.8381952037        4.5911552032
  C        10.2907667586       -2.8070966947        4.9267061737
  C         9.8245343266       -2.9384005783        6.2377759395
  C        10.3409841870       -2.0710274632        7.1989805908
  C        11.2983587182       -1.1069431642        6.8617657299
  C         9.9457546580       -2.1878361159        8.6397077259
  F         9.5858779488       -0.9740671397        9.1687457684
  F         8.9074829149       -3.0503703946        8.8702125085
  F        11.0139184314       -2.6144477235        9.3929516190
  C         9.7511854073       -3.6985935845        3.8495700977
  F         8.8175997963       -4.5678623370        4.3252643817
  F        10.7197021309       -4.4527569129        3.2285580211
  F         9.1411773092       -2.9678233538        2.8541867306
  C        13.8517290974        0.6099837257        6.3548545353
  C        14.3436755681        1.9089858555        6.5657971731
  C        15.3255347514        2.1854602409        7.5267319265
  C        15.8689476075        1.1711013458        8.3117627159
  C        15.4106483410       -0.1342351511        8.1010660792
  C        14.4275136400       -0.4068601225        7.1445381608
  C        16.0231752030       -1.2296086315        8.9226941860
  F        16.0412402300       -0.8757660710       10.2623896838
  F        17.3296814290       -1.4916114658        8.5807771036
  F        15.3719491667       -2.4177812809        8.8046641582
  C        15.8734904702        3.5756738864        7.6221551724
  F        16.4769107646        3.8577702693        8.8089811247
  F        14.9140738404        4.5287253347        7.4083661330
  F        16.8296821428        3.7883929761        6.6594817418
  H        13.9449255304        1.9636387238        3.1543914885
  H        13.8516461880       -2.1842179974        4.2974525245
  H        16.1148341710       -0.9626533025        0.8536247840
  H        11.4231428974        0.9199233974        2.7795190183
  H         8.9920070286        4.2206054259        4.0921131140
  H        11.7168153298        2.3321350225        6.8325336849
  H        11.5661765662       -1.7674881110        3.5533747789
  H         9.0934233054       -3.6951537055        6.5032810408
  H        11.6721289859       -0.4490242600        7.6451131440
  H        13.9589884722        2.7329894288        5.9659032700
  H        16.6301455996        1.3894227349        9.0566709095
  H        14.1033285016       -1.4371109059        7.0105216529
  H        10.7975029824       11.7781300370        4.7090145181
  H        11.5959922870       10.0471525815        3.1271449474
     646
 i =      136, E =         0.0018056169
 Rh         3.6472763287        0.2407901729        4.8217646811
  P         5.3909435075        0.6386167066        6.2892538720
  C         5.2304360082       -0.3087307541        7.8718415877
  C         4.8409183058       -1.7842994907        7.6588915945
  C         4.5348704815       -2.4460835920        9.0129871060
  C         5.7185067253       -2.3287608009        9.9837353656
  C         6.1843370028       -0.8737761419       10.1424266630
  C         6.4598986319       -0.1996921346        8.7872904945
  C         5.6694789892        2.4062196523        6.8097429872
  C         4.6340548122        2.8239447464        7.8775997495
  C         4.6368261709        4.3329715676        8.1715678972
  C         4.5463554089        5.1659168925        6.8901262410
  C         5.6916506812        4.8041021941        5.9420037961
  C         5.6301316125        3.3182105082        5.5642157091
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  F         7.3491817361       10.8246171961       -0.2357623160
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  C         6.4459527786        7.8479078333        2.4606077412
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  C         5.1566162524        9.4844810184        3.7723200213
  C         5.7325075436       10.4826883013        2.9557533017
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  C         2.5855240230        7.8539050618        4.6584439718
  C         1.6582605708        6.8800455777        5.0588473909
  C         1.2941251167        6.7380729046        6.3998629721
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  F         0.1939708271        5.0744576460        4.3302173202
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  C         5.8560843607       11.5262348991        6.4936265562
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  F         6.3556349422       14.0811547781        7.4844132664
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  F         7.4254460134        7.1000714236        7.7768637974
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  C         1.2717411667       13.1635675840        4.2810437531
  C         1.8552610949       13.0324651818        5.5373119024
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  F         1.8932871495       13.1555750296        1.0973941607
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  F         7.4984716713        5.8848692442        3.2978295235
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  F        11.2164672339        9.0174754344       20.2228618091
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  C        11.8885594800       12.0128419916       17.3105172845
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  C        13.2429288770       10.3740239621       16.0777356568
  C        12.7626353351        9.4019280909       16.9808551660
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  C        15.7619207087       12.0577802650       15.2243801237
  C        16.7008894917       13.0218415228       14.8368688795
  C        17.0862123280       13.1513075792       13.4974852918
  C        16.5061151595       12.2867275387       12.5613676907
  C        15.5684159050       11.3270479521       12.9599676764
  C        16.8422514005       12.3972508464       11.0970410753
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  F        18.1482399401       14.8384932183       15.4058344606
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  C        11.4657731672       10.4130508111       11.8790222582
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  F        11.9230029493        5.6912932963       12.4655576252
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  F        10.6242722073       12.6595514864       11.7437063452
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  C        17.1171147495        6.6705323704       15.4301462634
  C        16.4822789392        6.8318199806       14.2068248132
  C        15.5568736194        7.8641212106       14.0137577008
  C        17.4840641241        7.2670020692       17.7703766350
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  F        16.7935123424        6.3144286709       18.4805244332
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  C        14.4273982807       -0.4068437151        7.1444172266
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  H         8.9919105291        4.2207785170        4.0920530416
  H        11.7168392913        2.3322276630        6.8324927185
  H        11.5655037832       -1.7668892404        3.5530832209
  H         9.0938605650       -3.6953502557        6.5033305327
  H        11.6719832695       -0.4488107762        7.6450275920
  H        13.9592073380        2.7326131251        5.9659428089
  H        16.6305497329        1.3893303307        9.0563213147
  H        14.1030164065       -1.4373318332        7.0105171902
  H        10.7970196551       11.7786092120        4.7067095432
  H        11.5956082876       10.0460056706        3.1267707127
     646
 i =      137, E =         0.0000112292
 Rh         3.6473203115        0.2408183872        4.8218168257
  P         5.3909741872        0.6386211941        6.2892663571
  C         5.2304521721       -0.3087891475        7.8718441742
  C         4.8409889402       -1.7843377037        7.6588446412
  C         4.5348655766       -2.4461734260        9.0128938306
  C         5.7184872810       -2.3288963935        9.9836761050
  C         6.1843172571       -0.8739088075       10.1424417802
  C         6.4598663376       -0.1997382117        8.7873265633
  C         5.6694633585        2.4062239901        6.8097853606
  C         4.6340237416        2.8239865066        7.8775821157
  C         4.6369664748        4.3329873596        8.1715782801
  C         4.5463963701        5.1659508238        6.8901702205
  C         5.6915855122        4.8041123449        5.9419114214
  C         5.6301618199        3.3181824209        5.5642064323
  C         7.0039418165        0.0963332979        5.5219566496
  C         6.9763115890        0.2328768791        3.9903852177
  P         5.3131801837       -0.2372285383        3.2951812283
  C         5.4764325416       -2.0237697110        2.7929352733
  C         4.3921137301       -2.4025582678        1.7640438431
  C         4.3846123992       -3.9052984591        1.4625376527
  C         4.2489128348       -4.7432469467        2.7358449598
  C         5.3873543985       -4.4220928961        3.7087243768
  C         5.4189315187       -2.9229423798        4.0492533523
  C         5.1226017937        0.7009522360        1.7099815910
  C         4.8399623212        2.2003488728        1.9267350989
  C         4.4300396742        2.8437142293        0.5911312778
  C         5.5044173290        2.6445497876       -0.4893548350
  C         5.8917665183        1.1650499458       -0.6472815515
  C         6.2651216257        0.5133954524        0.6974938909
  C         1.8873729581        0.3176465291        3.4714508551
  C         1.9116937629       -0.9307000173        4.1000141581
  C         1.0789744061       -0.7949782642        5.3893146439
  C         1.9488377178        0.1383890405        6.2588096747
  C         1.9233804572        1.3857011340        5.6335269684
  C         1.0379532005        1.2343543728        4.3800555755
  C        -0.0037537691        0.2078941989        4.9043715547
  H         4.3796224482        0.1852283788        8.3700049658
  H         5.6652784435       -2.3207693857        7.1651532571
  H         3.9734231509       -1.8561200049        6.9855423713
  H         4.2651465060       -3.5014576240        8.8647079411
  H         3.6503575407       -1.9603840137        9.4503857789
  H         5.4409739912       -2.7434645409       10.9637527508
  H         6.5537939564       -2.9417639180        9.6185284044
  H         7.0932722313       -0.8262344273       10.7603402888
  H         5.4061514139       -0.3011330400       10.6710170763
  H         6.7511402796        0.8473591708        8.9423339658
  H         7.3132026038       -0.6900259010        8.3011711646
  H         6.6776018548        2.4607940877        7.2519597508
  H         4.8228455697        2.2761738132        8.8105616649
  H         3.6284158562        2.5266413759        7.5487254141
  H         5.5572599598        4.6030298144        8.7090788840
  H         3.8025344567        4.5649465381        8.8490952698
  H         4.5610536206        6.2364820857        7.1373903712
  H         3.5854996267        4.9832257816        6.3864664848
  H         6.6526311186        5.0264338304        6.4255578118
  H         5.6565105122        5.4101467622        5.0272015655
  H         6.4585134193        3.0665728159        4.8855557948
  H         4.7010478088        3.1214272421        5.0044225148
  H         7.8417045517        0.6590775656        5.9583883902
  H         7.1441118218       -0.9552547173        5.8101273708
  H         7.7688478092       -0.3666485791        3.5197414478
  H         7.1471813819        1.2777295351        3.6954103436
  H         6.4655392196       -2.1388414871        2.3205014063
  H         4.5409562087       -1.8438946924        0.8300556934
  H         3.4020991471       -2.1078547836        2.1372146979
  H         5.3177074606       -4.1753840991        0.9474250293
  H         3.5655189334       -4.1245928149        0.7658598317
  H         4.2392916495       -5.8118801552        2.4808852213
  H         3.2797589290       -4.5395393793        3.2153235945
  H         5.2791861617       -4.9945651311        4.6421911387
  H         6.3473536308       -4.7236404379        3.2648522412
  H         6.2778595779       -2.7111309145        4.7021131524
  H         4.5187456795       -2.6606883191        4.6284073012
  H         4.2075555534        0.2594896451        1.2803885967
  H         5.7416399898        2.6980917056        2.3139274808
  H         4.0534334777        2.3369716761        2.6848178426
  H         4.2268644955        3.9141626335        0.7346077981
  H         3.4837550658        2.3919344785        0.2573777725
  H         6.3979601292        3.2301246983       -0.2280638914
  H         5.1459272873        3.0434790661       -1.4496800248
  H         6.7337338706        1.0653257711       -1.3481156318
  H         5.0464395179        0.6121074665       -1.0874333385
  H         7.1768419716        0.9807015357        1.0908846999
  H         6.4968944008       -0.5489152544        0.5479848321
  H         2.1230233328        0.5315195917        2.4327959895
  H         2.1784596451       -1.8854578215        3.6569482042
  H         0.7605101152       -1.7306033243        5.8551463574
  H         2.2405856142       -0.0758819078        7.2830109610
  H         2.2021147899        2.3425200285        6.0654928321
  H         0.6793289670        2.1637516391        3.9304597951
  H        -0.6224658733        0.5996499326        5.7180971270
  H        -0.6358211317       -0.2017715989        4.1094980894
 Rh        14.7194281257       19.6374684823       14.9743246971
  P        12.9603898696       19.2089693202       13.5248233762
  C        13.1345376154       20.1904731125       11.9602010510
  C        13.5095614899       21.6633110503       12.2125831042
  C        13.8472671849       22.3621793952       10.8852099672
  C        12.6876820098       22.2613644106        9.8843348540
  C        12.2482695890       20.8046081250        9.6750912980
  C        11.9364536338       20.0924184988       11.0041690979
  C        12.6708746684       17.4542861209       12.9662160232
  C        13.6859976679       17.0369443812       11.8806781249
  C        13.6120919675       15.5361807998       11.5586781176
  C        13.7796486313       14.6939887094       12.8261652369
  C        12.6812035633       15.0365688667       13.8369245859
  C        12.7088868588       16.5289257610       14.2032246406
  C        11.3407387891       19.7116630272       14.3170560735
  C        11.4073029877       19.6644323305       15.8547856705
  P        13.0801410627       20.1665607891       16.5063659537
  C        12.9100863848       21.9634674034       16.9584948979
  C        13.9838993321       22.4080061972       17.9737836353
  C        13.9889965835       23.9308529888       18.1820968961
  C        14.0935018757       24.6962515258       16.8594614836
  C        12.9494585516       24.3039870157       15.9221122505
  C        12.9743474321       22.7933966011       15.6576001729
  C        13.3283993350       19.2285596645       18.0846175666
  C        13.6051195529       17.7375155158       17.8063265948
  C        14.0295821034       17.0230899457       19.0978530787
  C        12.9712572227       17.1823216804       20.2000449527
  C        12.6219565087       18.6603737655       20.4424091502
  C        12.2256823326       19.3901669965       19.1432875451
  C        16.4536652067       19.6228842821       16.3513265724
  C        16.4696361719       20.8189096114       15.6270492454
  C        17.3211207879       20.5610681464       14.3682689980
  C        16.4406977407       19.5848818480       13.5570784862
  C        16.4205180916       18.3902341937       14.2786429387
  C        17.2910713916       18.6161353931       15.5321842233
  C        18.3697453892       19.5734165922       14.9514478715
  H        14.0034547265       19.7114139207       11.4782751583
  H        12.6673446873       22.1827114841       12.6936261183
  H        14.3577520858       21.7234885144       12.9117179670
  H        14.1035653690       23.4146244011       11.0708521398
  H        14.7477556248       21.8962465266       10.4578230865
  H        12.9799734286       22.7088010585        8.9227661701
  H        11.8356111176       22.8513411759       10.2502854181
  H        11.3614929781       20.7610406105        9.0255597562
  H        13.0519567760       20.2569047953        9.1582130812
  H        11.6646389131       19.0466243377       10.8120269332
  H        11.0603685320       20.5589130237       11.4729883959
  H        11.6598495533       17.4198003822       12.5281956771
  H        13.5108572910       17.6164533138       10.9642748030
  H        14.7067882618       17.2817727136       12.2089817052
  H        12.6417602606       15.3041359606       11.0958259775
  H        14.3812676996       15.2864361632       10.8138366915
  H        13.7655889181       13.6233539687       12.5782197206
  H        14.7666258670       14.8866739506       13.2733553851
  H        11.7021004655       14.7680846272       13.4166864259
  H        12.7988887855       14.4508573539       14.7586476482
  H        11.8666190617       16.7650653908       14.8713852807
  H        13.6247078844       16.7432542125       14.7773064954
  H        10.5313699000       19.0682112158       13.9421671845
  H        11.1177079353       20.7305209646       13.9707897597
  H        10.6236415091       20.2891223165       16.3073660536
  H        11.2419117199       18.6383227605       16.2121139781
  H        11.9150377431       22.0941810940       17.4137049710
  H        13.8203971597       21.9103452357       18.9398591544
  H        14.9788340479       22.0899479946       17.6325285194
  H        13.0662773266       24.2305707810       18.6994488024
  H        14.8218605319       24.1984300709       18.8461220354
  H        14.0908526726       25.7774550522       17.0523333975
  H        15.0574932754       24.4827562417       16.3742186299
  H        13.0214739372       24.8338161622       14.9617323670
  H        11.9861438357       24.5898491665       16.3675285813
  H        12.1508373649       22.5118040560       14.9864427060
  H        13.9044663254       22.5354600941       15.1255792633
  H        14.2555688512       19.6687885500       18.4894533831
  H        12.6957992601       17.2611283789       17.4099325481
  H        14.3775345184       17.6353059345       17.0278148622
  H        14.2117688039       15.9590344370       18.8886707497
  H        14.9891438854       17.4397028612       19.4397401861
  H        12.0625925163       16.6331793914       19.9126908656
  H        13.3262735401       16.7218799847       21.1334072054
  H        11.8000214154       18.7401774575       21.1693026427
  H        13.4904592548       19.1698710423       20.8895989426
  H        11.2849884523       18.9714610961       18.7614566425
  H        12.0359349706       20.4506876176       19.3518655510
  H        16.2049407466       19.5001462310       17.4014357782
  H        16.2180996096       21.8111929739       15.9913630892
  H        17.6729620632       21.4481262849       13.8363758279
  H        16.1691663698       19.7241812185       12.5147339493
  H        16.1160185106       17.4104403028       13.9207329173
  H        17.6142973893       17.7162353410       16.0611151187
  H        18.9951368041       19.1044344622       14.1840881614
  H        18.9964970534       20.0292931478       15.7268608275
 Rh         5.9547554269       10.0601837710       14.9871564208
  P         4.1623317631        9.6014774393       13.5958587514
  C         3.7999411774        7.8484789302       13.0853406704
  C         3.7306976877        6.9257348024       14.3210532079
  C         3.6797636263        5.4400062747       13.9284738965
  C         4.8657386050        5.0690880154       13.0353228636
  C         4.8097042833        5.8923224915       11.7478305320
  C         4.8474634705        7.3972846756       12.0493921879
  C         2.5796578193       10.2048249384       14.3716463751
  C         2.6485853809       10.1091813460       15.9027535247
  P         4.3301648026       10.6040908522       16.5334796295
  C         4.1491804009       12.3811392336       17.0407593715
  C         4.0137523594       13.2659329410       15.7818354002
  C         4.0824553349       14.7663764136       16.1025808394
  C         5.3703978925       15.0891293626       16.8638710921
  C         5.4078077413       14.2983851405       18.1732891049
  C         5.3397587539       12.7868626995       17.9332260159
  C         4.5675099698        9.6633403716       18.1099703836
  C         4.9088839997        8.1850374182       17.8408014329
  C         5.2049916445        7.4582644482       19.1600550640
  C         4.0190943161        7.5680346518       20.1289412658
  C         3.3903143252        9.8053595600       19.0884518551
  C         3.6603582894        9.0379424302       20.3945451382
  C         4.3610292840       10.5565355232       12.0202369094
  C         4.7090784879       12.0344933810       12.2839624795
  C         5.0238224471       12.7607899801       10.9659961021
  C         3.8759487258       12.6258870035        9.9551094601
  C         3.4917315063       11.1566642618        9.7290644740
  C         3.1778506110       10.4352533358       11.0513957735
  C         7.7863204533       11.1870531864       15.5547434446
  C         7.5763864196        8.6913477947       14.3567039949
  C         8.4732405346        8.9376279343       15.5875183173
  C         9.6020165152        9.7880698925       14.9417367444
  C         8.6097866194       10.8038964505       14.3087804059
  C         7.7094402912       10.0420513687       16.3510311611
  C         7.6603538176        9.8387627673       13.5634365785
  H         2.8089980264        7.8578114638       12.6018507535
  H         4.6130191941        7.0993667191       14.9567851346
  H         2.8514892155        7.1813908352       14.9311950004
  H         2.7458451284        5.2233514791       13.3920885649
  H         3.6616944777        4.8337365395       14.8410627876
  H         5.8086742212        5.2611793107       13.5696256924
  H         4.8654382086        3.9955160961       12.8013064681
  H         5.6405864085        5.6392792238       11.0751092043
  H         3.8848784427        5.6466958475       11.2065310862
  H         4.6892254173        7.9575790402       11.1226212853
  H         5.8554702908        7.6608036059       12.4011756219
  H         2.4526677360       11.2495914638       14.0558198168
  H         1.7220175437        9.6442376715       13.9728149247
  H         1.8704397889       10.7214531907       16.3804648576
  H         2.4900415666        9.0716403463       16.2280651166
  H         3.2196830766       12.4638233928       17.6268875410
  H         4.8232607699       13.0139222959       15.0791115779
  H         3.0694624058       13.0371581185       15.2677451348
  H         4.0140784389       15.3360812778       15.1644530860
  H         3.2144852774       15.0614796334       16.7095391399
  H         5.4524305697       16.1640024532       17.0725808236
  H         6.2430046584       14.8355044263       16.2427545547
  H         6.3140604521       14.5297044975       18.7464405488
  H         4.5542097989       14.6030588142       18.7952824843
  H         6.2805135161       12.4540913617       17.4720856530
  H         5.2734241298       12.2681636848       18.8997091359
  H         5.4569334165       10.1294039968       18.5653667974
  H         5.7660671879        8.1210638729       17.1527904664
  H         4.0667043607        7.6914614676       17.3348508844
  H         6.0982227837        7.9055350560       19.6204923936
  H         5.4531960488        6.4059147560       18.9612293998
  H         4.2465854325        7.0570519916       21.0745072823
  H         3.1507783812        7.0502688795       19.6960057880
  H         3.1944458885       10.8634582321       19.3050295573
  H         2.4809463029        9.4064509785       18.6210403258
  H         4.4903874498        9.5216538899       20.9339401428
  H         2.7763758839        9.1064215504       21.0453814005
  H         5.2420918963       10.0873341137       11.5517030256
  H         5.5620829856       12.1011495955       12.9787416851
  H         3.8608726172       12.5302417200       12.7795442777
  H         5.2316125424       13.8210109156       11.1678683060
  H         5.9465008342       12.3421192111       10.5390512779
  H         4.1567102717       13.0960584081        9.0011666253
  H         2.9988714231       13.1764176661       10.3220684645
  H         2.6196600979       11.0857155619        9.0627432905
  H         4.3234378186       10.6354213639        9.2282569468
  H         2.2827203783       10.8780839797       11.5088654117
  H         2.9393046665        9.3834897170       10.8576139868
  H         7.5884785853       12.2125874637       15.8544860048
  H         7.2184443182        7.7095891028       14.0588153008
  H         8.7478780382        8.0507137754       16.1636995891
  H        10.2730926146       10.2436915763       15.6801553653
  H        10.1802243809        9.2324011590       14.1973686839
  H         9.0118629862       11.6367938870       13.7256841229
  H         7.4651919187        9.9989036902       17.4083473346
  H         7.3867271935        9.9317825583       12.5158358922
 Rh        12.6579664511        9.8056448033        4.6976992070
  P        14.2950454046       10.0528399843        6.1701421395
  C        14.4299461221       11.8554541186        6.6630227113
  C        14.7135973000       12.8167772116        5.4914645727
  C        14.7762600491       14.2802872837        5.9729646250
  C        13.5110993528       14.6943947059        6.7324277757
  C        13.2764326225       13.7530530516        7.9168275714
  C        13.1767008296       12.2965206721        7.4406914042
  C        15.9633829464        9.6356355550        5.4476504388
  C        15.9753185281        9.8484087071        3.9218714646
  P        14.3116836665        9.4376168359        3.2051604326
  C        14.3815433744        7.6346524820        2.7172305605
  C        14.5657621722        6.7211447112        3.9475349235
  C        14.4469382972        5.2283203770        3.5945173862
  C        13.1188064636        4.9304885297        2.8924916004
  C        13.0044329727        5.7746376560        1.6204849926
  C        13.1059282775        7.2736044034        1.9282996479
  C        14.1152505630       10.3419189774        1.6050497127
  C        13.9161890076       11.8507527694        1.8390332740
  C        13.5493783018       12.5555506511        0.5254577553
  C        14.5882588701       12.2853510914       -0.5715934336
  C        15.1813972634       10.0646924310        0.5351696536
  C        14.8187824903       10.7804554888       -0.7773757639
  C        14.1432941112        9.1699020224        7.7896218133
  C        13.7734971802        7.6833657030        7.6509472051
  C        13.4155999862        7.1105634597        9.0315912695
  C        14.5830437981        7.2633682247       10.0134814267
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  H        15.9479582118        8.7989821902       10.7371461631
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  H        16.2217180016        8.8421510311        8.2840194575
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  H        10.0312773282       10.0519479293        2.4634688724
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  F         7.3491614101       10.8245770132       -0.2358005733
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  C         6.9986497370        8.8486967924        1.6681939711
  C         6.4460460002        7.8480016959        2.4604888813
  C         5.5436877925        8.1608020347        3.4908391026
  C         5.1565747622        9.4845805138        3.7724473140
  C         5.7325216676       10.4827820912        2.9557900934
  B         4.2399570856        9.8984773717        5.0763881548
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  C         2.5854255743        7.8537582037        4.6584686433
  C         1.6581999885        6.8799533476        5.0588510300
  C         1.2942005927        6.7381439853        6.3998137965
  C         1.8888569744        7.6056153977        7.3253087171
  C         2.8269018109        8.5631471635        6.9175008921
  C         1.5838460669        7.5067668977        8.7954649306
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  F         2.6870788853        7.1595623487        9.5339769622
  F         1.1749301197        8.7178500619        9.3117991925
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  F         2.1806779528        5.2392472520        3.4408214584
  F         0.1940334011        5.0744843536        4.3301340312
  F         0.6518250850        6.7256359508        2.9280966681
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  C         5.8998573700        9.1902009042        6.9477833282
  C         6.8571215785        9.3856873731        7.9441175443
  C         7.3151539048       10.6704634969        8.2511203171
  C         6.8181143021       11.7409459948        7.4915568887
  C         5.8561021023       11.5262822541        6.4936142182
  C         7.3342210255       13.1427865167        7.6993358472
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  F         6.3557144300       14.0812278346        7.4844915138
  F         8.3397337005       13.4810974927        6.8170279424
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  F         7.4254577598        7.1000226210        7.7768674866
  F         6.2866989552        7.7317621002        9.5347804339
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  C         2.6298987866       11.2885651008        3.5293891084
  C         1.6673806430       12.2668667312        3.2883903216
  C         1.2704412907       13.1648935066        4.2806939447
  C         1.8563284633       13.0316996462        5.5384113925
  C         2.8031205846       12.0291498298        5.7906436089
  C         1.1058804825       12.3798523949        1.9155346676
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  F         1.8933505288       13.1555707657        1.0973871221
  F        -0.1575108825       12.9027266065        1.9035271394
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  F         7.4984967600        5.8848340699        3.2978677579
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  F        11.2165251170        9.0174260378       20.2227470353
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  C        11.4386612320       11.0394679239       18.2022538894
  C        11.8887135188       12.0128590423       17.3103178400
  C        12.7688170262       11.6835846611       16.2710288086
  C        13.2430055555       10.3740487653       16.0776169818
  C        12.7625702996        9.4018961955       16.9808989067
  B        14.1546509720        9.9819980706       14.7700527382
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  C        15.7618615031       12.0577729707       15.2244733751
  C        16.7008874273       13.0218365282       14.8367978963
  C        17.0861599199       13.1512732306       13.4975990467
  C        16.5061930392       12.2867609147       12.5612285237
  C        15.5684219010       11.3270477220       12.9600152635
  C        16.8421113850       12.3973313992       11.0969466801
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  F        15.7543323436       12.8160292749       10.3459252968
  F        17.2354140026       11.1907607017       10.5611826852
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  F        18.1482735642       14.8385150997       15.4057806942
  F        17.8385993112       13.2541958152       16.9334856463
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  C        12.4463710417       10.6745982205       12.8454342285
  C        11.4657937633       10.4125937927       11.8791210479
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  C        11.6015625836        8.0758508744       12.3854688288
  C        12.5743799826        8.3414502247       13.3547696363
  C        11.0270568616        6.6992891425       12.2313188548
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  F        11.9228537896        5.6913277967       12.4654423784
  F        10.0060762391        6.4974387764       13.1315578966
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  F        10.6241133783       12.6598057538       11.7439451114
  F        11.7669493085       11.8877375644       10.0451099656
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  C        15.8555429707        8.5666502363       16.2866446712
  C        16.8096716145        7.5591625138       16.4636669173
  C        17.1172960711        6.6703103476       15.4300484456
  C        16.4818722982        6.8321903322       14.2066213171
  C        15.5568150910        7.8641355315       14.0137749564
  C        17.4840778469        7.2670041194       17.7703037219
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  F        16.7936050419        6.3145481332       18.4805412329
  F        18.7591984377        6.7892667239       17.5408006822
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  F        10.4814162721       13.7339204531       16.4321138790
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  H        13.0884709426       12.4723915878       15.5911252097
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  H        17.8294875547        5.8679013394       15.5830333959
  H        15.1069149898        7.9783855650       13.0286072882
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  F         3.3591957224       17.0875768611       18.6315012110
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  C         2.9234361576       23.0645143934       17.4347864606
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  F         3.9022549123       24.0238412562       17.3054116576
  F         1.9924957191       23.2935938297       16.4317393762
  B         5.6122340925       19.6366767112       14.6722465911
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  C         7.2662660698       18.2769394224       16.2267477791
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  C         8.6452367788       16.4193315379       15.4709740503
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  F        10.0144757073       16.5639923587       17.8928679717
  F         7.9539459210       16.3793445173       18.6303265925
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  F         7.6876723560       24.3577232845       16.5044439629
  F         9.2705430038       22.8895887047       17.0029431039
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  H         4.2984945712       21.3266692309       12.8161248138
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  F        15.0495432625        2.8842648101        1.1014837632
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  F        14.4478214549       -4.0414289071        2.4964886835
  F        16.4091772876       -3.4512627835        3.3545359456
  B        12.7863883034        0.2706209678        5.1578898199
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  C        11.1268544679        1.5960302837        3.5807108020
  C        10.1465054065        2.5562273072        3.3191113114
  C         9.7320852461        3.4558570367        4.3057407244
  C        10.3178366515        3.3529725156        5.5648293779
  C        11.2916190553        2.3797255766        5.8308689741
  C         9.9539936337        4.3109156920        6.6595249189
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  F         9.1362569398        5.3319072528        6.2380906176
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  F         8.4026003108        3.3409004647        1.9035504750
  F        10.4693873390        3.4759714642        1.1634718418
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  C        11.2424029949       -1.8378209292        4.5910050049
  C        10.2905903646       -2.8070503250        4.9267288477
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  C        11.2982224815       -1.1067527485        6.8616746897
  C         9.9458014800       -2.1878152514        8.6396900133
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  F         8.9074941879       -3.0503463860        8.8702471407
  F        11.0138993492       -2.6144579589        9.3929632869
  C         9.7511738082       -3.6985573477        3.8495625720
  F         8.8176094040       -4.5678555958        4.3252522444
  F        10.7196731334       -4.4527620255        3.2285706992
  F         9.1411462524       -2.9678370046        2.8541552730
  C        13.8516659835        0.6102575642        6.3545425541
  C        14.3436550839        1.9090091632        6.5655219360
  C        15.3253418784        2.1852760613        7.5263403052
  C        15.8692154839        1.1709315142        8.3116137687
  C        15.4107206495       -0.1344322961        8.1009949208
  C        14.4276066615       -0.4067138808        7.1446063435
  C        16.0230496068       -1.2294625105        8.9225137187
  F        16.0412633945       -0.8758956608       10.2621940341
  F        17.3295560524       -1.4917028356        8.5809791491
  F        15.3721563981       -2.4176571971        8.8048145813
  C        15.8738110650        3.5758905936        7.6218823964
  F        16.4771848608        3.8575851252        8.8092601189
  F        14.9135914397        4.5288138093        7.4081525412
  F        16.8296335171        3.7881518071        6.6595023515
  H        13.9444816594        1.9635653646        3.1539674827
  H        13.8509063920       -2.1843348829        4.2968348208
  H        16.1156088271       -0.9625414596        0.8541311293
  H        11.4231894875        0.9202922277        2.7794095933
  H         8.9918816669        4.2208190329        4.0920441241
  H        11.7168207041        2.3322346716        6.8324160165
  H        11.5653800701       -1.7668137572        3.5531013567
  H         9.0938330331       -3.6954765900        6.5033680898
  H        11.6719426811       -0.4488093269        7.6449862601
  H        13.9591120504        2.7328272083        5.9657541477
  H        16.6304343089        1.3892826952        9.0560991205
  H        14.1029811288       -1.4373103799        7.0105148564
  H        10.7969528014       11.7786893690        4.7063569364
  H        11.5954989198       10.0458246832        3.1267335602
     646
 i =      138, E =         0.0023723587
 Rh         3.6474698367        0.2408739859        4.8218699937
  P         5.3910915227        0.6386344713        6.2893537308
  C         5.2305037382       -0.3089872672        7.8718517187
  C         4.8412260644       -1.7845150650        7.6586228277
  C         4.5348542995       -2.4465147622        9.0125384539
  C         5.7184096900       -2.3294144026        9.9834287949
  C         6.1842172709       -0.8744356641       10.1424759265
  C         6.4597592023       -0.1999267035        8.7874848333
  C         5.6694373131        2.4062414593        6.8099327824
  C         4.6339020152        2.8241267088        7.8775291353
  C         4.6374733961        4.3330684017        8.1716571790
  C         4.5465760046        5.1660754849        6.8903190371
  C         5.6913733027        4.8041392106        5.9415941998
  C         5.6302294742        3.3180907730        5.5642218976
  C         7.0040641404        0.0964933563        5.5220073992
  C         6.9764310028        0.2330340551        3.9904167662
  P         5.3133057789       -0.2372502461        3.2952663407
  C         5.4767975384       -2.0237717231        2.7930792307
  C         4.3926541398       -2.4025900530        1.7639893009
  C         4.3847545302       -3.9054077681        1.4628136252
  C         4.2491041926       -4.7431448533        2.7362615277
  C         5.3877506836       -4.4220059220        3.7088760198
  C         5.4192789083       -2.9228987397        4.0493699887
  C         5.1223396140        0.7008253029        1.7100120016
  C         4.8395758252        2.2001668362        1.9268732080
  C         4.4300022827        2.8438081507        0.5912411162
  C         5.5047071875        2.6447918053       -0.4889535396
  C         5.8915685551        1.1651864123       -0.6472435481
  C         6.2647212362        0.5131519241        0.6974028713
  C         1.8875396257        0.3176384449        3.4714764142
  C         1.9117909703       -0.9305472909        4.1001747752
  C         1.0791068320       -0.7945759888        5.3895098210
  C         1.9490023534        0.1387906981        6.2588444346
  C         1.9236275244        1.3860865528        5.6333062261
  C         1.0381933943        1.2345747361        4.3799481562
  C        -0.0035869733        0.2082758666        4.9044326531
  H         4.3795390092        0.1848970833        8.3699476172
  H         5.6656866619       -2.3208570942        7.1650901395
  H         3.9738015774       -1.8563625439        6.9850731019
  H         4.2650800530       -3.5017520684        8.8642144010
  H         3.6503383900       -1.9607006519        9.4499889629
  H         5.4408571208       -2.7441360925       10.9634043686
  H         6.5537278445       -2.9422121845        9.6182063391
  H         7.0931607688       -0.8268707801       10.7603741812
  H         5.4060288593       -0.3017995310       10.6711683587
  H         6.7508511702        0.8471849459        8.9427741103
  H         7.3132509517       -0.6899660685        8.3013337816
  H         6.6775299334        2.4608639024        7.2522520378
  H         4.8222424699        2.2760566766        8.8104854374
  H         3.6282466183        2.5272722887        7.5483625530
  H         5.5580859821        4.6027641415        8.7087966571
  H         3.8033799477        4.5653082394        8.8495702964
  H         4.5615094210        6.2365947399        7.1375261192
  H         3.5854739057        4.9835046184        6.3869923072
  H         6.6526380018        5.0268758726        6.4247010248
  H         5.6556749232        5.4098614147        5.0267377121
  H         6.4587010423        3.0665301176        4.8857808251
  H         4.7012377704        3.1210904793        5.0043618066
  H         7.8418080413        0.6592631295        5.9584290910
  H         7.1443156996       -0.9551146731        5.8101752442
  H         7.7689712472       -0.3665172201        3.5198112421
  H         7.1472820077        1.2778369471        3.6954313718
  H         6.4660196700       -2.1387412590        2.3207789675
  H         4.5419305839       -1.8442318013        0.8299196056
  H         3.4026188325       -2.1074820465        2.1368249422
  H         5.3177435759       -4.1758084763        0.9475927277
  H         3.5655270389       -4.1246259611        0.7662710982
  H         4.2392419882       -5.8118154240        2.4814389780
  H         3.2800774282       -4.5391918385        3.2158830320
  H         5.2798643259       -4.9945364692        4.6423588640
  H         6.3476785631       -4.7234834603        3.2647603019
  H         6.2781550382       -2.7109950649        4.7023200821
  H         4.5190199310       -2.6606728559        4.6285033042
  H         4.2072870481        0.2592519920        1.2806433204
  H         5.7410888682        2.6979489613        2.3144182830
  H         4.0528134245        2.3366039385        2.6847059106
  H         4.2268465722        3.9142057757        0.7349009968
  H         3.4838352468        2.3921207097        0.2571259873
  H         6.3983451488        3.2299325213       -0.2270882344
  H         5.1466993043        3.0441899111       -1.4492296499
  H         6.7335095011        1.0653320995       -1.3480784262
  H         5.0460549894        0.6126591922       -1.0875083367
  H         7.1766836186        0.9800319317        1.0908215962
  H         6.4960805406       -0.5492156117        0.5476701621
  H         2.1231974448        0.5313923332        2.4327624282
  H         2.1785187454       -1.8854216566        3.6572421821
  H         0.7605756873       -1.7301474116        5.8555014025
  H         2.2407670252       -0.0752696246        7.2831056843
  H         2.2024834464        2.3429552219        6.0651354536
  H         0.6796246263        2.1639364490        3.9301924150
  H        -0.6222085040        0.6002091091        5.7181315186
  H        -0.6357334976       -0.2014618751        4.1096544027
 Rh        14.7194854152       19.6375266942       14.9742801826
  P        12.9605631710       19.2090535211       13.5247419805
  C        13.1347081093       20.1905500702       11.9601190940
  C        13.5096934694       21.6633420898       12.2125433755
  C        13.8472236193       22.3623312332       10.8852207559
  C        12.6875802370       22.2615763305        9.8844794238
  C        12.2480587596       20.8048498408        9.6751856337
  C        11.9364969223       20.0925259331       11.0042211745
  C        12.6711840495       17.4542831809       12.9664044660
  C        13.6863994510       17.0369253267       11.8809529673
  C        13.6123798848       15.5362311266       11.5587740982
  C        13.7795090146       14.6937695359       12.8261407279
  C        12.6811763373       15.0366045261       13.8369122381
  C        12.7093701284       16.5289167032       14.2033990334
  C        11.3409899369       19.7121053990       14.3167663548
  C        11.4072819410       19.6641753367       15.8544488758
  P        13.0800125626       20.1664785371       16.5062064730
  C        12.9097315414       21.9633210137       16.9585275458
  C        13.9838367493       22.4075602717       17.9736061396
  C        13.9888807599       23.9303215285       18.1823966916
  C        14.0937043324       24.6958642486       16.8599128254
  C        12.9495297874       24.3041445644       15.9224894145
  C        12.9734676481       22.7935893776       15.6578161202
  C        13.3284077989       19.2285836605       18.0844749692
  C        13.6052911525       17.7375622895       17.8063029216
  C        14.0294258106       17.0231383560       19.0979980435
  C        12.9708232212       17.1824822996       20.1999206206
  C        12.6218779100       18.6606261294       20.4422924425
  C        12.2256407748       19.3903009443       19.1431067951
  C        16.4538604175       19.6227505293       16.3512387631
  C        16.4697757689       20.8187961417       15.6270850294
  C        17.3211101942       20.5611608169       14.3681443048
  C        16.4405937521       19.5850506054       13.5569950857
  C        16.4204583706       18.3902889311       14.2783310730
  C        17.2911790494       18.6161000538       15.5318170584
  C        18.3698150175       19.5734114489       14.9510615893
  H        14.0036022910       19.7115042589       11.4780484382
  H        12.6675164477       22.1826878991       12.6937454616
  H        14.3579763776       21.7235230282       12.9116467974
  H        14.1035207621       23.4147925031       11.0709270188
  H        14.7477366605       21.8964824383       10.4577085667
  H        12.9797832704       22.7090402960        8.9228666104
  H        11.8355578080       22.8515756958       10.2505103945
  H        11.3611406678       20.7613886458        9.0258279405
  H        13.0516259445       20.2571607269        9.1580576926
  H        11.6646725640       19.0467376618       10.8120477317
  H        11.0604766395       20.5589606858       11.4732455696
  H        11.6601487289       17.4196293621       12.5283808209
  H        13.5114764263       17.6165671731       10.9645686081
  H        14.7071530069       17.2816392361       12.2094557046
  H        12.6421345010       15.3043875014       11.0956097240
  H        14.3817270083       15.2864779394       10.8140778327
  H        13.7649805598       13.6231813955       12.5779585063
  H        14.7665327817       14.8859097054       13.2734068369
  H        11.7019688399       14.7685224188       13.4166630711
  H        12.7986472566       14.4507135567       14.7585736409
  H        11.8673442189       16.7651783005       14.8718393808
  H        13.6253855553       16.7429890300       14.7771879168
  H        10.5312831244       19.0693112362       13.9413685717
  H        11.1186450894       20.7312834110       13.9709099242
  H        10.6234505702       20.2885586259       16.3072023775
  H        11.2420720110       18.6379289291       16.2113154317
  H        11.9147995260       22.0938081515       17.4141208390
  H        13.8207383461       21.9095112886       18.9395446875
  H        14.9786592076       22.0897398428       17.6318498304
  H        13.0660392832       24.2298946096       18.6996144397
  H        14.8216069539       24.1977044542       18.8466907273
  H        14.0914695538       25.7770754044       17.0528901679
  H        15.0576508553       24.4820487280       16.3747001931
  H        13.0219047954       24.8339728717       14.9621184456
  H        11.9863438647       24.5905992410       16.3678551159
  H        12.1493442544       22.5125602580       14.9871930858
  H        13.9031221191       22.5352502797       15.1250474040
  H        14.2554811800       19.6689040701       18.4892341398
  H        12.6961312511       17.2610426392       17.4096129046
  H        14.3779512040       17.6354068536       17.0280815131
  H        14.2115845479       15.9590928841       18.8888749611
  H        14.9888592939       17.4397281590       19.4401070825
  H        12.0620720366       16.6336280747       19.9122605313
  H        13.3254726407       16.7218452915       21.1333295534
  H        11.8000194339       18.7406698846       21.1692404302
  H        13.4905197850       19.1699404184       20.8893089452
  H        11.2849189540       18.9715824776       18.7612918775
  H        12.0359228638       20.4508514383       19.3515617803
  H        16.2052216350       19.4998326554       17.4012640328
  H        16.2182749479       21.8110917498       15.9915362277
  H        17.6728791577       21.4482864661       13.8363229414
  H        16.1689522208       19.7244916825       12.5145954382
  H        16.1159680255       17.4106157640       13.9203969726
  H        17.6144818852       17.7160855396       16.0606092407
  H        18.9950179987       19.1044967477       14.1835233420
  H        18.9966910290       20.0291596357       15.7264028063
 Rh         5.9545625725       10.0601345591       14.9871923988
  P         4.1622813517        9.6017173422       13.5956241224
  C         3.8003187143        7.8485918900       13.0852580283
  C         3.7314412193        6.9260766046       14.3211405938
  C         3.6801601688        5.4402814008       13.9287834478
  C         4.8657924830        5.0690157445       13.0353438727
  C         4.8099588181        5.8923955832       11.7479213465
  C         4.8480678548        7.3973353562       12.0495648311
  C         2.5795028783       10.2047452332       14.3714577460
  C         2.6483583279       10.1090743212       15.9026652900
  P         4.3299315114       10.6039226842       16.5335480471
  C         4.1491743468       12.3810098454       17.0407022726
  C         4.0140661116       13.2656903901       15.7816337159
  C         4.0825366419       14.7662185309       16.1022721061
  C         5.3702342333       15.0891623403       16.8639593148
  C         5.4076434512       14.2982907970       18.1733071772
  C         5.3398648134       12.7867736696       17.9330451348
  C         4.5672264137        9.6631043377       18.1100594907
  C         4.9082234477        8.1847193093       17.8408093877
  C         5.2045233902        7.4578521973       19.1600133523
  C         4.0189204478        7.5678589689       20.1292397459
  C         3.3902830736        9.8053783084       19.0888084572
  C         3.6604641282        9.0378650104       20.3948685368
  C         4.3609660781       10.5567921375       12.0199729000
  C         4.7092584978       12.0347512178       12.2836907999
  C         5.0242729644       12.7607936953       10.9656062397
  C         3.8762197513       12.6263534662        9.9548752528
  C         3.4915568138       11.1572532199        9.7288440401
  C         3.1777155261       10.4357547890       11.0511468546
  C         7.7859148658       11.1870701022       15.5549243178
  C         7.5763015110        8.6914233721       14.3568045614
  C         8.4730818765        8.9377041128       15.5876642604
  C         9.6017464036        9.7883317270       14.9419489432
  C         8.6094987082       10.8040797938       14.3089204379
  C         7.7090992555       10.0420955146       16.3511529654
  C         7.6601791842        9.8388386291       13.5635552227
  H         2.8094604817        7.8575418228       12.6017151958
  H         4.6140087513        7.0997235864       14.9564774014
  H         2.8524796652        7.1819016937       14.9316133217
  H         2.7460084436        5.2237501659       13.3927056177
  H         3.6622657046        4.8341663084       14.8414359473
  H         5.8089095896        5.2606073077       13.5695070869
  H         4.8649658601        3.9954779492       12.8011980759
  H         5.6408115697        5.6391644425       11.0751982274
  H         3.8850927222        5.6470342917       11.2065726041
  H         4.6902019642        7.9577349546       11.1227935042
  H         5.8560030144        7.6605796225       12.4016615374
  H         2.4522988407       11.2494810977       14.0556753842
  H         1.7219867624        9.6439981112       13.9726530813
  H         1.8702195738       10.7213231389       16.3802825720
  H         2.4898232026        9.0715637336       16.2279047376
  H         3.2197621475       12.4639490369       17.6267656218
  H         4.8238071956       13.0136567055       15.0791895354
  H         3.0699571052       13.0368382539       15.2672784064
  H         4.0144371256       15.3357735270       15.1641232698
  H         3.2143899481       15.0612358827       16.7089517640
  H         5.4518954458       16.1640461059       17.0728169491
  H         6.2430915022       14.8359044847       16.2429749325
  H         6.3138208945       14.5296969821       18.7465086530
  H         4.5539651234       14.6027400685       18.7952457494
  H         6.2806003689       12.4542531050       17.4716686357
  H         5.2738203835       12.2679119628       18.8994625408
  H         5.4568302659       10.1289791351       18.5652828250
  H         5.7652355669        8.1205600096       17.1526230576
  H         4.0658299386        7.6913164087       17.3351122584
  H         6.0979907381        7.9049070271       19.6202200805
  H         5.4524086801        6.4054773269       18.9610934100
  H         4.2466350766        7.0569468103       21.0747527715
  H         3.1504030754        7.0501846560       19.6966144642
  H         3.1947390659       10.8634913311       19.3054979969
  H         2.4806932404        9.4066951086       18.6216266216
  H         4.4906888496        9.5214214467       20.9340959734
  H         2.7766489658        9.1064785775       21.0458678429
  H         5.2419272759       10.0874941678       11.5514047776
  H         5.5622036751       12.1012806473       12.9784866699
  H         3.8611160798       12.5306830603       12.7790753541
  H         5.2326385522       13.8209375273       11.1673795279
  H         5.9466783280       12.3416124038       10.5386172162
  H         4.1570205696       13.0964626259        9.0009115856
  H         2.9993948825       13.1771666875       10.3219633228
  H         2.6193374396       11.0865873593        9.0626598063
  H         4.3230399884       10.6358533278        9.2277773849
  H         2.2826811125       10.8786159860       11.5086834515
  H         2.9390808861        9.3840200232       10.8572783381
  H         7.5879405176       12.2126048597       15.8546224563
  H         7.2184284887        7.7096161773       14.0589156298
  H         8.7477474848        8.0508660156       16.1638148410
  H        10.2727436175       10.2440273084       15.6804441462
  H        10.1801184398        9.2327558847       14.1975971786
  H         9.0114539399       11.6369953146       13.7259234039
  H         7.4647699936        9.9988491860       17.4084546030
  H         7.3865851587        9.9318300784       12.5159380630
 Rh        12.6578585294        9.8057075187        4.6976998661
  P        14.2948800149       10.0526710494        6.1701968816
  C        14.4297182772       11.8552408483        6.6630330023
  C        14.7133899102       12.8164238454        5.4913179810
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  H         8.5362882610        8.2133671780        5.6151056274
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  H        11.6126729043        7.4150054948        5.4416820370
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  F         7.3491213428       10.8245070671       -0.2358708938
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  C         6.9984865342        8.8486616117        1.6679929262
  C         6.4460655640        7.8479906475        2.4604875359
  C         5.5439358564        8.1608323322        3.4909512122
  C         5.1566017892        9.4846917007        3.7727110977
  C         5.7326844316       10.4828502701        2.9558446525
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  C         2.5854172659        7.8536053213        4.6585783186
  C         1.6581076899        6.8797621756        5.0588479657
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  C         2.8267986111        8.5633794121        6.9175233987
  C         1.5836598562        7.5067506466        8.7954197104
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  F         1.1748441557        8.7180400559        9.3118659066
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  F         0.1941958316        5.0745756990        4.3299767523
  F         0.6517709769        6.7255968411        2.9280175205
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  F        11.2166333500        9.0173347658       20.2225288796
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  C        15.7617453198       12.0577873653       15.2245101420
  C        16.7007688621       13.0217659012       14.8368717817
  C        17.0861512817       13.1512599012       13.4976132635
  C        16.5062916726       12.2867614448       12.5610130036
  C        15.5685191270       11.3270742752       12.9600221229
  C        16.8418260742       12.3974720369       11.0967911520
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  F        15.7545739031       12.8159050158       10.3462096902
  F        17.2355129719       11.1907229751       10.5612412097
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  F        18.1483261736       14.8385515398       15.4056900607
  F        17.8385852584       13.2541082045       16.9334753814
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  C        11.4658916494       10.4120746885       11.8792881563
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  F        10.6238373808       12.6602262460       11.7443754547
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  C        16.8097074613        7.5593126509       16.4640193653
  C        17.1171571994        6.6705734616       15.4298846123
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  C        17.4840693557        7.2670563253       17.7701658761
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  F        16.7937700266        6.3147432779       18.4805939908
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  H        15.1069805234        7.9781455188       13.0291744915
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  F        15.0495074462        2.8844324096        1.1019865706
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  C        13.7285888916       -0.0720594735        3.8641388955
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  C        15.0055883753       -1.7039018383        2.5555902603
  C        15.4627399992       -0.7130639306        1.6861148742
  C        15.4680631375       -3.1196630529        2.3837462316
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  F        14.4478486575       -4.0413295839        2.4964331057
  F        16.4090846476       -3.4511282580        3.3544546059
  B        12.7863347676        0.2707184462        5.1577287650
  C        11.7366688512        1.4832698702        4.8451771807
  C        11.1267468543        1.5962678780        3.5806194014
  C        10.1464436987        2.5563814949        3.3191057758
  C         9.7319941899        3.4559543519        4.3056125316
  C        10.3178400401        3.3529542061        5.5646918805
  C        11.2916168780        2.3798183537        5.8308568380
  C         9.9537668340        4.3109431174        6.6595308948
  F        11.0925232611        4.8784593662        7.1887984330
  F         9.1362809717        5.3318842449        6.2380441164
  F         9.3073219830        3.6816165936        7.6990890294
  C         9.6232694252        2.7199352589        1.9281665432
  F         9.4967029257        1.5339558802        1.2493749851
  F         8.4027121453        3.3407848677        1.9034271089
  F        10.4693412673        3.4759991794        1.1634073203
  C        11.7835270258       -0.9627061892        5.5504470742
  C        11.2421663281       -1.8376535830        4.5909279407
  C        10.2905939898       -2.8069577697        4.9266217335
  C         9.8247253688       -2.9385939508        6.2378217986
  C        10.3410007475       -2.0709713542        7.1989414243
  C        11.2980971429       -1.1067183089        6.8616321417
  C         9.9457758641       -2.1878297966        8.6396971787
  F         9.5858752593       -0.9740843892        9.1687391068
  F         8.9075053832       -3.0503545708        8.8702219533
  F        11.0139225305       -2.6144414320        9.3929522308
  C         9.7511254679       -3.6985646288        3.8495587195
  F         8.8176063786       -4.5678537749        4.3252683062
  F        10.7196956610       -4.4527328729        3.2285747616
  F         9.1411742949       -2.9678202818        2.8541626799
  C        13.8517132559        0.6099096978        6.3545863908
  C        14.3437267359        1.9089315660        6.5654982126
  C        15.3256858910        2.1854741727        7.5264893521
  C        15.8690776553        1.1710183775        8.3112373372
  C        15.4106808581       -0.1342866809        8.1008316309
  C        14.4272970096       -0.4068787128        7.1443193411
  C        16.0231928687       -1.2296380024        8.9226641714
  F        16.0411861362       -0.8757424852       10.2623137377
  F        17.3297025932       -1.4916106640        8.5807067182
  F        15.3719172456       -2.4178119947        8.8046335316
  C        15.8733826452        3.5756418429        7.6221089327
  F        16.4768907317        3.8577253036        8.8088901366
  F        14.9141863228        4.5286215217        7.4083867555
  F        16.8297968119        3.7884444592        6.6593702401
  H        13.9442636006        1.9635329224        3.1537613857
  H        13.8505173892       -2.1844414312        4.2965743458
  H        16.1159829106       -0.9624806610        0.8543982587
  H        11.4232749606        0.9203615769        2.7792493806
  H         8.9919491509        4.2207879373        4.0920567985
  H        11.7168342691        2.3322705668        6.8323541015
  H        11.5649711884       -1.7664821408        3.5529992536
  H         9.0940311032       -3.6956506549        6.5034183704
  H        11.6718533934       -0.4486899088        7.6449404499
  H        13.9590732284        2.7329888910        5.9655226576
  H        16.6306921334        1.3892675547        9.0559387441
  H        14.1029333731       -1.4370388655        7.0105615203
  H        10.7966679434       11.7789849926        4.7049654755
  H        11.5951498072       10.0451189031        3.1265605656
     646
 i =      139, E =         0.0024499160
 Rh         3.6477219437        0.2409449142        4.8219128499
  P         5.3912576540        0.6386525289        6.2895332688
  C         5.2305594096       -0.3092592951        7.8718395756
  C         4.8415560119       -1.7848815791        7.6581863013
  C         4.5348556558       -2.4470584306        9.0119465007
  C         5.7182784662       -2.3302504649        9.9829752976
  C         6.1840120664       -0.8753247335       10.1424825293
  C         6.4596244071       -0.2002627571        8.7878008019
  C         5.6694549329        2.4062736656        6.8101371219
  C         4.6336936980        2.8243198869        7.8774824447
  C         4.6382555193        4.3332395506        8.1718695013
  C         4.5469226111        5.1662632776        6.8905303062
  C         5.6910919332        4.8041646624        5.9411430222
  C         5.6302746456        3.3179688381        5.5643535034
  C         7.0042865285        0.0967120942        5.5220831226
  C         6.9766169904        0.2332051035        3.9904874556
  P         5.3134980575       -0.2372689612        3.2953995256
  C         5.4774914591       -2.0237671726        2.7932284018
  C         4.3935094087       -2.4026705584        1.7639670960
  C         4.3850773387       -3.9056003246        1.4632203977
  C         4.2493995710       -4.7429934910        2.7369391340
  C         5.3884628288       -4.4219298966        3.7091364181
  C         5.4198204347       -2.9227738363        4.0496898379
  C         5.1219623926        0.7006011485        1.7101083049
  C         4.8389633791        2.1998993282        1.9270109228
  C         4.4300321245        2.8439150338        0.5914737787
  C         5.5051732406        2.6451204680       -0.4882205822
  C         5.8912482056        1.1654622260       -0.6471518086
  C         6.2640955331        0.5127774569        0.6972522405
  C         1.8877902281        0.3174519255        3.4717302745
  C         1.9119203157       -0.9300120366        4.1004332440
  C         1.0792510624       -0.7941083502        5.3898108932
  C         1.9493820740        0.1394477191        6.2591457307
  C         1.9241313878        1.3869541271        5.6330544193
  C         1.0385517827        1.2349991293        4.3796211196
  C        -0.0032951679        0.2088859118        4.9044694507
  H         4.3794168713        0.1843318408        8.3698378764
  H         5.6663645951       -2.3209954627        7.1649852526
  H         3.9744922603       -1.8567532170        6.9843241309
  H         4.2649645767       -3.5022701216        8.8633690484
  H         3.6503023071       -1.9612368468        9.4493176332
  H         5.4406480478       -2.7452867412       10.9628525612
  H         6.5536253892       -2.9429809555        9.6176557555
  H         7.0929978787       -0.8279409982       10.7604470546
  H         5.4058218642       -0.3029210480       10.6714223943
  H         6.7503575415        0.8468887551        8.9435068051
  H         7.3133240432       -0.6898632299        8.3016046932
  H         6.6773870929        2.4609787141        7.2527304778
  H         4.8212312984        2.2758847081        8.8103183389
  H         3.6279676893        2.5283333351        7.5477537400
  H         5.5594778782        4.6023157566        8.7083115136
  H         3.8048640141        4.5658983574        8.8503162400
  H         4.5622761606        6.2367949652        7.1377571928
  H         3.5854085630        4.9839664643        6.3878657603
  H         6.6525848121        5.0276026309        6.4232277806
  H         5.6542715438        5.4094108857        5.0259112120
  H         6.4590785424        3.0664342378        4.8860962144
  H         4.7015356774        3.1205156387        5.0042353703
  H         7.8419948930        0.6595854668        5.9585006775
  H         7.1446545995       -0.9548403159        5.8102392579
  H         7.7691804849       -0.3662886911        3.5199258468
  H         7.1474604504        1.2780932564        3.6954394632
  H         6.4667653539       -2.1385671155        2.3212670041
  H         4.5435699456       -1.8447811142        0.8296599094
  H         3.4035188046       -2.1068656184        2.1361610232
  H         5.3177372877       -4.1765063120        0.9479082879
  H         3.5655471119       -4.1246898942        0.7669645231
  H         4.2391597099       -5.8116861877        2.4823755739
  H         3.2806148312       -4.5386118817        3.2168241312
  H         5.2810042024       -4.9944672712        4.6426192081
  H         6.3481957187       -4.7232165825        3.2646129059
  H         6.2786221749       -2.7107809617        4.7026296611
  H         4.5195414682       -2.6606659363        4.6286235973
  H         4.2067944423        0.2588347373        1.2810428546
  H         5.7401577095        2.6976969222        2.3152369204
  H         4.0517432652        2.3359895058        2.6845537066
  H         4.2268048645        3.9143254885        0.7354010189
  H         3.4839277650        2.3924151572        0.2566832468
  H         6.3990225794        3.2296322444       -0.2254443011
  H         5.1479838418        3.0454081773       -1.4485336006
  H         6.7331451549        1.0653381355       -1.3480297617
  H         5.0453874193        0.6135695380       -1.0876554904
  H         7.1763792599        0.9788906189        1.0906989653
  H         6.4947161355       -0.5497204933        0.5471408494
  H         2.1235125875        0.5312084348        2.4326017871
  H         2.1786411482       -1.8854601687        3.6576966858
  H         0.7607152179       -1.7292870529        5.8560587305
  H         2.2410217738       -0.0742055886        7.2830959008
  H         2.2030516159        2.3435340608        6.0644591601
  H         0.6801398794        2.1642074212        3.9297702418
  H        -0.6217930845        0.6011679014        5.7182089187
  H        -0.6355702871       -0.2009286722        4.1099314816
 Rh        14.7195710015       19.6376054138       14.9742037775
  P        12.9608982524       19.2092235805       13.5246090434
  C        13.1350372431       20.1905720493       11.9599134768
  C        13.5099845846       21.6634447025       12.2125952757
  C        13.8472650117       22.3626107959       10.8852226824
  C        12.6873772387       22.2619382706        9.8846423303
  C        12.2477486944       20.8052421556        9.6752953067
  C        11.9365592040       20.0927093988       11.0043468738
  C        12.6716925832       17.4542676125       12.9666935923
  C        13.6870792185       17.0369513295       11.8813818026
  C        13.6128787655       15.5362691452       11.5588845234
  C        13.7792557888       14.6933597095       12.8260611962
  C        12.6811409504       15.0366534623       13.8369566338
  C        12.7100894647       16.5288824024       14.2036597861
  C        11.3413409528       19.7128262352       14.3162157339
  C        11.4072611278       19.6638520606       15.8539036093
  P        13.0798205803       20.1663478288       16.5059110333
  C        12.9090679779       21.9630642482       16.9586114595
  C        13.9837230373       22.4068448483       17.9733313784
  C        13.9887256271       23.9293932580       18.1829361755
  C        14.0940789948       24.6952663186       16.8606482918
  C        12.9495924686       24.3044754860       15.9231508838
  C        12.9721659701       22.7938305238       15.6581155556
  C        13.3282884076       19.2285789877       18.0842128621
  C        13.6055114761       17.7375760849       17.8063320790
  C        14.0290465348       17.0232499134       19.0981832572
  C        12.9701190593       17.1827578979       20.1997241606
  C        12.6216743944       18.6609776195       20.4420380085
  C        12.2255714207       19.3905075921       19.1427866690
  C        16.4542761586       19.6224860896       16.3508308636
  C        16.4699941178       20.8187779791       15.6271792382
  C        17.3211000541       20.5612493875       14.3679859046
  C        16.4403492915       19.5853399397       13.5565767611
  C        16.4204852914       18.3906817889       14.2779642999
  C        17.2913843136       18.6158662600       15.5312867903
  C        18.3698560807       19.5733889116       14.9503666504
  H        14.0038009179       19.7116855039       11.4776996638
  H        12.6678225548       22.1826376327       12.6939341218
  H        14.3583006819       21.7235706763       12.9114642011
  H        14.1034405937       23.4150342821       11.0710522925
  H        14.7476644195       21.8968912004       10.4575350205
  H        12.9794539847       22.7094245279        8.9230705984
  H        11.8354747101       22.8519708283       10.2508909115
  H        11.3605612775       20.7619751000        9.0262790351
  H        13.0510505917       20.2576064055        9.1578121063
  H        11.6647387944       19.0469207377       10.8120779561
  H        11.0606722054       20.5590316073       11.4736679727
  H        11.6606759621       17.4193361601       12.5286991022
  H        13.5125277112       17.6167313481       10.9650891597
  H        14.7077672025       17.2814057509       12.2102485540
  H        12.6427813443       15.3048123724       11.0952550534
  H        14.3824782416       15.2865567109       10.8145043367
  H        13.7639625305       13.6229094299       12.5775285858
  H        14.7664067357       14.8846269334       13.2735055738
  H        11.7017448648       14.7692582525       13.4166150543
  H        12.7982417408       14.4504873027       14.7584138670
  H        11.8685884483       16.7653601573       14.8725844688
  H        13.6265860797       16.7425528835       14.7770190710
  H        10.5311868592       19.0711848990       13.9400473463
  H        11.1202345644       20.7325293409       13.9711251659
  H        10.6231519216       20.2875886124       16.3069126304
  H        11.2423316662       18.6371818818       16.2099963236
  H        11.9144420690       22.0931711913       17.4148113829
  H        13.8213086019       21.9081088707       18.9390161363
  H        14.9783961884       22.0893767669       17.6307061418
  H        13.0656437276       24.2287588036       18.6998956052
  H        14.8211728679       24.1964780256       18.8476260276
  H        14.0925076590       25.7763890575       17.0538157281
  H        15.0579116234       24.4808537873       16.3755169888
  H        13.0226298296       24.8342253085       14.9627746864
  H        11.9867161984       24.5918499678       16.3683955666
  H        12.1468098410       22.5138219568       14.9884357476
  H        13.9007827452       22.5349236309       15.1242036583
  H        14.2554319386       19.6691361737       18.4889062890
  H        12.6967347834       17.2609252499       17.4090956465
  H        14.3786958761       17.6355660043       17.0284793759
  H        14.2112889354       15.9591556009       18.8892113009
  H        14.9884537059       17.4397885164       19.4407509857
  H        12.0612103535       16.6343839532       19.9115374397
  H        13.3241243199       16.7217878787       21.1331908477
  H        11.8000199595       18.7414952072       21.1691358546
  H        13.4906798120       19.1700878382       20.8888560623
  H        11.2848388627       18.9717930203       18.7610227664
  H        12.0359049913       20.4511294914       19.3510494551
  H        16.2056532355       19.4992869938       17.4011463512
  H        16.2185969565       21.8108339515       15.9917907991
  H        17.6727376610       21.4485577416       13.8362292475
  H        16.1686479757       19.7249945806       12.5145486148
  H        16.1158281398       17.4107082674       13.9197519839
  H        17.6147661143       17.7159228738       16.0596974623
  H        18.9948281157       19.1045972736       14.1825782100
  H        18.9970631629       20.0289488575       15.7256715786
 Rh         5.9542343192       10.0600653726       14.9872701633
  P         4.1622026063        9.6020895600       13.5952196654
  C         3.8011006794        7.8487889377       13.0851767116
  C         3.7325646695        6.9266112557       14.3212592138
  C         3.6807921388        5.4408221574       13.9292291069
  C         4.8658916125        5.0689169864       13.0353684339
  C         4.8104288730        5.8924991385       11.7480570880
  C         4.8489733357        7.3974147101       12.0498147199
  C         2.5792806626       10.2046111397       14.3712559752
  C         2.6480826418       10.1089365532       15.9023632349
  P         4.3295341748       10.6036153420       16.5336445093
  C         4.1493352187       12.3808270242       17.0405066030
  C         4.0145642387       13.2653289476       15.7813399004
  C         4.0827677890       14.7657948570       16.1018747736
  C         5.3700026705       15.0892529847       16.8640402545
  C         5.4073681096       14.2980966399       18.1732694112
  C         5.3400147209       12.7865984657       17.9327608809
  C         4.5667391974        9.6627067867       18.1101835744
  C         4.9071406251        8.1842030345       17.8409145609
  C         5.2037112763        7.4572430834       19.1599296191
  C         4.0186151417        7.5676350500       20.1296857180
  C         3.3902307181        9.8053539925       19.0894289856
  C         3.6606936747        9.0377152580       20.3953536786
  C         4.3608019502       10.5573165524       12.0195708420
  C         4.7096067444       12.0350794002       12.2830741151
  C         5.0249782905       12.7608565783       10.9650319421
  C         3.8767211419       12.6271162266        9.9544759078
  C         3.4912635711       11.1582169425        9.7284138703
  C         3.1775676356       10.4365479158       11.0507250335
  C         7.7852778738       11.1869879059       15.5551728031
  C         7.5761720664        8.6915689752       14.3569813316
  C         8.4727291192        8.9380507803       15.5878289493
  C         9.6014033018        9.7887718214       14.9423149271
  C         8.6088816095       10.8042228281       14.3093461103
  C         7.7085817312       10.0421551647       16.3512085044
  C         7.6599077294        9.8389666174       13.5638092309
  H         2.8101489234        7.8570834848       12.6014415385
  H         4.6157328800        7.1003415651       14.9559924739
  H         2.8541808279        7.1827473075       14.9322935294
  H         2.7463004736        5.2244238525       13.3937589676
  H         3.6632262606        4.8348399959       14.8421174978
  H         5.8093178581        5.2596458911       13.5693075004
  H         4.8641784897        3.9953885507       12.8010069476
  H         5.6411685622        5.6389765049       11.0753634456
  H         3.8854447611        5.6476098944       11.2066361732
  H         4.6918410955        7.9579894149       11.1230831755
  H         5.8569564266        7.6602215891       12.4024987145
  H         2.4516735987       11.2493210785       14.0554192300
  H         1.7219025207        9.6435748666       13.9723518047
  H         1.8697871694       10.7211486334       16.3800101789
  H         2.4894373391        9.0713642329       16.2276570876
  H         3.2197866831       12.4641690694       17.6266227212
  H         4.8247368921       13.0132011147       15.0793151959
  H         3.0707796782       13.0362917013       15.2664749853
  H         4.0150333220       15.3353250606       15.1634695702
  H         3.2141971112       15.0608399448       16.7079666020
  H         5.4510047750       16.1640833283       17.0732048246
  H         6.2431827983       14.8365857803       16.2433876297
  H         6.3134320550       14.5296898073       18.7466349446
  H         4.5535320183       14.6022089301       18.7952077053
  H         6.2807240613       12.4545276642       17.4709735456
  H         5.2744889829       12.2674948421       18.8990311463
  H         5.4566670762       10.1282599923       18.5651413805
  H         5.7638558477        8.1197081468       17.1523128065
  H         4.0643194760        7.6910509464       17.3355174640
  H         6.0975930592        7.9038421965       19.6197482089
  H         5.4510994464        6.4046803405       18.9608509600
  H         4.2467208416        7.0567423178       21.0752054793
  H         3.1497658748        7.0500401341       19.6976369924
  H         3.1952315926       10.8635684602       19.3062740999
  H         2.4802794222        9.4071145961       18.6226092169
  H         4.4911894650        9.5210290211       20.9343480230
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  C         5.7328448615       10.4826765520        2.9561139425
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  F        11.2165015014        9.0174214768       20.2227988796
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  C        12.7623485817        9.4019207843       16.9806509554
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  C        16.7007828678       13.0218354673       14.8368897384
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  C        16.5061876206       12.2866834534       12.5612949483
  C        15.5685400503       11.3269201698       12.9600053852
  C        16.8421121763       12.3972394052       11.0970343553
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  F        15.7542762612       12.8160646784       10.3458460123
  F        17.2354005374       11.1907278703       10.5611291174
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  F        18.1482338717       14.8384856389       15.4058055438
  F        17.8385984496       13.2542068322       16.9334710304
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  C        11.0270222255        6.6992658462       12.2313501466
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  F        11.9229561214        5.6912943183       12.4655465188
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  F        10.6242058497       12.6596096074       11.7438214144
  F        11.7668850416       11.8877549476       10.0452119573
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  C        15.8555872019        8.5664639930       16.2868323897
  C        16.8096843578        7.5590072996       16.4632246590
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  C        16.4819608932        6.8320999422       14.2067757927
  C        15.5565385350        7.8638234539       14.0135932432
  C        17.4840559066        7.2669950717       17.7702442398
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  F        16.7935469620        6.3144717096       18.4805833590
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  H        13.0884399095       12.4723166337       15.5912384068
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  H        15.1064019478        7.9779860264       13.0288363462
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  F         3.3591108898       17.0876434255       18.6314544229
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  C         2.9641006201       20.6778023200       18.1604718817
  C         2.9232593604       23.0645556293       17.4348814597
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  F         3.9021951281       24.0237586954       17.3054488879
  F         1.9926643498       23.2935105056       16.4318456371
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  C         8.6453624455       16.4196472041       15.4710518488
  C         8.0502027134       16.5416580915       14.2160080596
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  F        10.0144892929       16.5640075162       17.8929037715
  F         7.9539501770       16.3793300325       18.6303490387
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  C         7.0862470739       21.0110435750       12.9485999893
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  F         9.3802952810       23.0321435560       10.9269354780
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  F         7.6876623735       24.3577317980       16.5044527139
  F         9.2705667120       22.8895748590       17.0029791138
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  F         3.4285504277       15.3140893711       12.3964559434
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  H         9.3839998139       15.6500090462       15.6718360355
  H         6.6583473911       17.5929789943       12.9680839506
  H         6.9164523618       21.6078575280       16.2750846670
  H         9.3114097469       23.5840355792       13.2943035616
  H         6.6838311087       20.3741732988       12.1623680968
  H         4.4300225934       17.1598997001       13.8798741694
  H         1.8061738311       18.4931857526       10.7433472167
  H         4.2984974693       21.3266863825       12.8162803967
  F        15.6185177933        1.2752842925       -0.2930184366
  C        15.6624816182        1.6684605275        1.0284144604
  F        16.9916113867        1.8963570181        1.3185917861
  F        15.0496100159        2.8841577123        1.1014285314
  C        15.0745018563        0.6117063756        1.9256581911
  C        14.2244824354        0.9232628355        2.9930592971
  C        13.7284941776       -0.0721277891        3.8637517047
  C        14.1684669734       -1.3845143770        3.6288158038
  C        15.0054474306       -1.7037939978        2.5556960159
  C        15.4631531095       -0.7130674663        1.6860964536
  C        15.4680497618       -3.1195139620        2.3835774417
  F        16.0487004393       -3.3178193686        1.1713187405
  F        14.4477775477       -4.0414515798        2.4964908968
  F        16.4091599109       -3.4512682369        3.3545147085
  B        12.7862227147        0.2707180754        5.1576794270
  C        11.7364705928        1.4836207687        4.8449158744
  C        11.1270108163        1.5962733419        3.5807074674
  C        10.1465304073        2.5563179279        3.3188881967
  C         9.7318750097        3.4562003733        4.3056626971
  C        10.3178933906        3.3530963436        5.5649223754
  C        11.2916148260        2.3798222462        5.8305304604
  C         9.9540814341        4.3109821492        6.6595731991
  F        11.0920728970        4.8780983861        7.1885194639
  F         9.1362188855        5.3319513133        6.2380969603
  F         9.3074549185        3.6817494483        7.6990394238
  C         9.6232816248        2.7200690110        1.9279822120
  F         9.4968236231        1.5337913739        1.2494036977
  F         8.4024926139        3.3409553018        1.9035537059
  F        10.4693764811        3.4759970772        1.1634625521
  C        11.7833240858       -0.9624443911        5.5503391245
  C        11.2416898108       -1.8374616870        4.5908459296
  C        10.2905570260       -2.8068099333        4.9266178588
  C         9.8247631730       -2.9388041756        6.2377889696
  C        10.3410268930       -2.0709179230        7.1989590447
  C        11.2979486403       -1.1065983000        6.8615643620
  C         9.9458215459       -2.1878344937        8.6396396742
  F         9.5858240627       -0.9740732680        9.1687971754
  F         8.9075004005       -3.0503553024        8.8702501701
  F        11.0139169534       -2.6144562199        9.3929622138
  C         9.7511198195       -3.6985332358        3.8495682786
  F         8.8175940730       -4.5678744690        4.3252442043
  F        10.7196715866       -4.4527591211        3.2285758499
  F         9.1411246776       -2.9678310124        2.8541161662
  C        13.8517005811        0.6103796405        6.3543182856
  C        14.3433810745        1.9091867866        6.5648735280
  C        15.3256598018        2.1849008142        7.5264574336
  C        15.8690534403        1.1707652111        8.3108867658
  C        15.4110744314       -0.1341883467        8.1010694334
  C        14.4273142700       -0.4069223053        7.1443405344
  C        16.0229244750       -1.2294849886        8.9222846308
  F        16.0413182347       -0.8759163740       10.2621473427
  F        17.3295121219       -1.4917166067        8.5811106549
  F        15.3722562401       -2.4176257485        8.8048958495
  C        15.8740935391        3.5759736520        7.6216105462
  F        16.4772389584        3.8575038513        8.8093246623
  F        14.9133116183        4.5289954295        7.4080543635
  F        16.8295711660        3.7880531160        6.6595527984
  H        13.9438865753        1.9635261481        3.1534206323
  H        13.8498983380       -2.1845595933        4.2960814147
  H        16.1165520907       -0.9623618526        0.8549059311
  H        11.4232911466        0.9206969032        2.7791655930
  H         8.9918901447        4.2209015217        4.0920151927
  H        11.7168835330        2.3323667911        6.8323976552
  H        11.5643309381       -1.7659114734        3.5527342436
  H         9.0944228570       -3.6958780437        6.5034824777
  H        11.6716998279       -0.4484981929        7.6448467552
  H        13.9592870084        2.7326063750        5.9655803593
  H        16.6309818029        1.3891662853        9.0555521624
  H        14.1026374746       -1.4372502705        7.0105416807
  H        10.7961631518       11.7794660810        4.7026240998
  H        11.5947674370       10.0439478027        3.1261980579
     646
 i =      140, E =        -0.0000018061
 Rh         3.6477697944        0.2409821064        4.8219898672
  P         5.3912896339        0.6386595456        6.2895489261
  C         5.2305805533       -0.3093249352        7.8718270736
  C         4.8416452906       -1.7849267557        7.6581411236
  C         4.5348430259       -2.4471720394        9.0118293894
  C         5.7182577542       -2.3304096356        9.9829146477
  C         6.1840048757       -0.8754690440       10.1425086463
  C         6.4595903143       -0.2003117035        8.7878462982
  C         5.6694324257        2.4062777513        6.8101843274
  C         4.6336622934        2.8243741071        7.8774613725
  C         4.6384343499        4.3332510596        8.1718719695
  C         4.5469730238        5.1663005516        6.8905881238
  C         5.6910042184        4.8041813203        5.9410236943
  C         5.6303357833        3.3179311642        5.5643360966
  C         7.0043288230        0.0967637253        5.5221033337
  C         6.9766393850        0.2332847882        3.9904928730
  P         5.3135446304       -0.2372820757        3.2954100654
  C         5.4775482502       -2.0237610611        2.7932976314
  C         4.3937069330       -2.4026878026        1.7639261524
  C         4.3850779067       -3.9056249196        1.4633269326
  C         4.2494787288       -4.7429539413        2.7370489077
  C         5.3885504618       -4.4218873824        3.7091892103
  C         5.4199507189       -2.9227785752        4.0496871381
  C         5.1218902467        0.7005647173        1.7101148001
  C         4.8388427183        2.1998488881        1.9270786547
  C         4.4299910517        2.8439535114        0.5915012433
  C         5.5052666427        2.6452190491       -0.4881397189
  C         5.8911929800        1.1654920353       -0.6471465641
  C         6.2639766755        0.5126938511        0.6972230663
  C         1.8878568253        0.3177946345        3.4713831605
  C         1.9119824147       -0.9304601369        4.1005530790
  C         1.0793322301       -0.7938366073        5.3898527139
  C         1.9493646309        0.1397930004        6.2588572697
  C         1.9241515793        1.3866858748        5.6330037130
  C         1.0386563389        1.2349959896        4.3796868108
  C        -0.0032426532        0.2090250506        4.9045592492
  H         4.3793847343        0.1842445450        8.3698279043
  H         5.6664746791       -2.3210157829        7.1649646933
  H         3.9745833690       -1.8568194284        6.9841793440
  H         4.2649502936       -3.5023439808        8.8632265546
  H         3.6502941054       -1.9613293974        9.4492041339
  H         5.4406151549       -2.7454756231       10.9627414542
  H         6.5536027024       -2.9431061928        9.6175634214
  H         7.0929484386       -0.8281255751       10.7604464602
  H         5.4057844540       -0.3031133947       10.6714644299
  H         6.7502745492        0.8468359187        8.9436345307
  H         7.3133388701       -0.6898466869        8.3016513314
  H         6.6773734216        2.4609997030        7.2528111359
  H         4.8210663920        2.2758477542        8.8103052652
  H         3.6279227153        2.5285104967        7.5476547876
  H         5.5597065155        4.6022403144        8.7082269975
  H         3.8050888918        4.5660070365        8.8504667613
  H         4.5624055043        6.2368274052        7.1377927099
  H         3.5854012574        4.9840447313        6.3880124866
  H         6.6526075823        5.0277293286        6.4229946304
  H         5.6540368858        5.4093211513        5.0257942801
  H         6.4591053095        3.0664288584        4.8861750516
  H         4.7015775349        3.1204210236        5.0042176683
  H         7.8420183562        0.6596378630        5.9585078143
  H         7.1447155683       -0.9548028011        5.8102542616
  H         7.7692253556       -0.3662560295        3.5199391102
  H         7.1474828043        1.2781056284        3.6954507600
  H         6.4669258636       -2.1385437663        2.3213303276
  H         4.5438362427       -1.8448815698        0.8296337981
  H         3.4036401991       -2.1067584374        2.1360675895
  H         5.3177729343       -4.1766323282        0.9479460458
  H         3.5655535536       -4.1247029507        0.7670810446
  H         4.2391433620       -5.8116795680        2.4825346155
  H         3.2806953939       -4.5385101860        3.2169891760
  H         5.2811977026       -4.9944631739        4.6426724564
  H         6.3483015479       -4.7231772294        3.2645821536
  H         6.2787112024       -2.7107408430        4.7026916242
  H         4.5196011283       -2.6606541236        4.6286653222
  H         4.2067231831        0.2587692657        1.2811148986
  H         5.7400039287        2.6976550620        2.3153753725
  H         4.0515837716        2.3358832021        2.6845107386
  H         4.2268049283        3.9143245976        0.7354852201
  H         3.4839683769        2.3924744197        0.2566194530
  H         6.3991207521        3.2295704366       -0.2251674806
  H         5.1482109253        3.0456019585       -1.4483778188
  H         6.7330772103        1.0653448731       -1.3480159242
  H         5.0452841460        0.6137322440       -1.0876716109
  H         7.1763430621        0.9787087572        1.0906842385
  H         6.4944883707       -0.5497954899        0.5470520650
  H         2.1235308287        0.5311243544        2.4327583787
  H         2.1786195629       -1.8852900434        3.6578411882
  H         0.7607098603       -1.7292305276        5.8561781082
  H         2.2411122646       -0.0740648526        7.2832706721
  H         2.2031951809        2.3437977688        6.0644120096
  H         0.6802080438        2.1642970360        3.9296542192
  H        -0.6217087788        0.6013187045        5.7181936783
  H        -0.6355630139       -0.2008499177        4.1099523491
 Rh        14.7195853387       19.6376303565       14.9741906936
  P        12.9609439312       19.2092442924       13.5245792852
  C        13.1350666394       20.1906152562       11.9599113795
  C        13.5100039733       21.6634423449       12.2125381994
  C        13.8472300443       22.3626531526       10.8852416716
  C        12.6873495925       22.2619892928        9.8847015175
  C        12.2476719580       20.8053224314        9.6753266403
  C        11.9365878099       20.0927303515       11.0043514079
  C        12.6717838702       17.4542672843       12.9667416540
  C        13.6871913229       17.0369245733       11.8814751029
  C        13.6129479417       15.5362954889       11.5589172182
  C        13.7792260269       14.6933192806       12.8260645815
  C        12.6811108973       15.0366660561       13.8369241730
  C        12.7102662011       16.5288805032       14.2037106247
  C        11.3414241529       19.7129730966       14.3161412450
  C        11.4072709977       19.6637420012       15.8537992505
  P        13.0797793471       20.1663283331       16.5058678862
  C        12.9090021753       21.9630185014       16.9586108892
  C        13.9837075142       22.4067128266       17.9732826777
  C        13.9886818766       23.9292476169       18.1830135174
  C        14.0941239277       24.6951387613       16.8607843544
  C        12.9496529237       24.3045108941       15.9232442996
  C        12.9718398998       22.7938953650       15.6581997867
  C        13.3283151275       19.2285973547       18.0841853293
  C        13.6055782509       17.7375906467       17.8062998245
  C        14.0290253716       17.0232622208       19.0982419295
  C        12.9699717562       17.1827943793       20.1996814180
  C        12.6216844685       18.6610605517       20.4420133445
  C        12.2255396943       19.3905542006       19.1427310082
  C        16.4542957239       19.6224161636       16.3509701377
  C        16.4700787394       20.8186780033       15.6271120454
  C        17.3210787021       20.5613266184       14.3679113731
  C        16.4403873934       19.5854422732       13.5566914175
  C        16.4204034262       18.3904785753       14.2778113483
  C        17.2914082002       18.6159854549       15.5311128640
  C        18.3698947617       19.5733858400       14.9502916707
  H        14.0038612779       19.7117010510       11.4776221101
  H        12.6678727125       22.1826325899       12.6939722340
  H        14.3583908724       21.7235806573       12.9114618422
  H        14.1034331434       23.4150889748       11.0710720859
  H        14.7476742887       21.8969518700       10.4574929868
  H        12.9794027303       22.7095008133        8.9230877148
  H        11.8354602669       22.8520369999       10.2509571436
  H        11.3604674326       20.7620740122        9.0263566935
  H        13.0509659635       20.2576748889        9.1577622915
  H        11.6647499359       19.0469576248       10.8120830579
  H        11.0606974813       20.5590493048       11.4737443730
  H        11.6607622559       17.4192899720       12.5287482620
  H        13.5127041997       17.6167705555       10.9651590506
  H        14.7078768181       17.2813687581       12.2103814973
  H        12.6428902365       15.3048838969       11.0951922754
  H        14.3826171023       15.2865628833       10.8145651031
  H        13.7637875246       13.6228447611       12.5774513776
  H        14.7663758970       14.8844070438       13.2735161880
  H        11.7017202007       14.7693864956       13.4166148831
  H        12.7981758560       14.4504402552       14.7584064207
  H        11.8687840137       16.7653970885       14.8727199557
  H        13.6267637174       16.7424761717       14.7769743664
  H        10.5311561427       19.0714866891       13.9398162488
  H        11.1205023147       20.7327349820       13.9711599498
  H        10.6230866715       20.2874390727       16.3068733363
  H        11.2423832653       18.6370881257       16.2097647209
  H        11.9143608383       22.0930673249       17.4149342967
  H        13.8214038752       21.9078734202       18.9389299487
  H        14.9783402111       22.0893157662       17.6305209228
  H        13.0655870391       24.2285671601       18.6999435552
  H        14.8211135763       24.1962728155       18.8477953156
  H        14.0926872521       25.7762936675       17.0539785460
  H        15.0579616257       24.4806506996       16.3756493621
  H        13.0227461297       24.8342709835       14.9628939837
  H        11.9867535628       24.5920638281       16.3685056474
  H        12.1464091853       22.5140422268       14.9886632631
  H        13.9004396488       22.5348580509       15.1240364424
  H        14.2553904090       19.6691578046       18.4888368891
  H        12.6968197315       17.2608966647       17.4090041834
  H        14.3787979828       17.6355938902       17.0285685969
  H        14.2112336133       15.9591747168       18.8892694783
  H        14.9883575308       17.4397895739       19.4408474943
  H        12.0610746981       16.6345152107       19.9114214584
  H        13.3239005764       16.7217779214       21.1331723323
  H        11.8000094261       18.7416331063       21.1691204744
  H        13.4906757016       19.1700978736       20.8887670822
  H        11.2848240682       18.9718309937       18.7609770070
  H        12.0359036104       20.4511661700       19.3509615236
  H        16.2057551185       19.4992070872       17.4010038873
  H        16.2186336864       21.8108572945       15.9918635893
  H        17.6727107528       21.4485770152       13.8362313605
  H        16.1685634730       19.7250896477       12.5144123243
  H        16.1158507748       17.4108733328       13.9196977502
  H        17.6148350028       17.7158210639       16.0595857161
  H        18.9948003825       19.1046119737       14.1824105908
  H        18.9971089859       20.0289032179       15.7255258457
 Rh         5.9541452502       10.0600491321       14.9872724364
  P         4.1622134049        9.6021695531       13.5951741834
  C         3.8011363997        7.8488281568       13.0851230091
  C         3.7328410881        6.9267150300       14.3213122241
  C         3.6808964750        5.4408739628       13.9293579668
  C         4.8659214845        5.0688887927       13.0353683385
  C         4.8104761214        5.8925205744       11.7480748553
  C         4.8492058652        7.3974289462       12.0498880758
  C         2.5792178916       10.2045850719       14.3711718426
  C         2.6480015559       10.1089028095       15.9023706367
  P         4.3294899754       10.6035582761       16.5336476539
  C         4.1492873902       12.3807895209       17.0405189802
  C         4.0146894327       13.2652442502       15.7812681250
  C         4.0827918602       14.7657882769       16.1017369108
  C         5.3699480853       15.0892293514       16.8640828960
  C         5.4073300265       14.2980754484       18.1732707718
  C         5.3400652472       12.7865781805       17.9326845429
  C         4.5666568856        9.6626451185       18.1102094411
  C         4.9069424714        8.1841024591       17.8408825075
  C         5.2035898169        7.4570898606       19.1599131892
  C         4.0185691125        7.5675787027       20.1297894745
  C         3.3902293812        9.8053709369       19.0895313012
  C         3.6607027824        9.0376947821       20.3954515284
  C         4.3608283327       10.5573536927       12.0194688047
  C         4.7096332396       12.0351892499       12.2830476120
  C         5.0251552678       12.7608198517       10.9648844365
  C         3.8767801456       12.6272627358        9.9544153090
  C         3.4912285896       11.1583819449        9.7283575097
  C         3.1775018148       10.4367171582       11.0506640021
  C         7.7851410895       11.1872076173       15.5552012195
  C         7.5761170287        8.6915219964       14.3569912092
  C         8.4727421198        8.9379470097       15.5879409640
  C         9.6013259499        9.7888338491       14.9423638881
  C         8.6088854244       10.8043988385       14.3092919088
  C         7.7084430230       10.0420697686       16.3514560762
  C         7.6598258136        9.8389933520       13.5637562462
  H         2.8103137581        7.8570093269       12.6014235304
  H         4.6159801293        7.1004353246       14.9558840910
  H         2.8544506295        7.1828958433       14.9324179041
  H         2.7463447572        5.2245358506       13.3939311978
  H         3.6633919868        4.8349833009       14.8421955446
  H         5.8093790695        5.2594851785       13.5692713976
  H         4.8640437206        3.9953910238       12.8009789291
  H         5.6412370835        5.6389464652       11.0753853895
  H         3.8855156749        5.6477058762       11.2066534323
  H         4.6921080587        7.9580414924       11.1231208830
  H         5.8570721080        7.6601532403       12.4026188848
  H         2.4515716315       11.2492851351       14.0553791007
  H         1.7219068497        9.6435165095       13.9723126270
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  F         7.3491566792       10.8245751659       -0.2358500695
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  C         5.7329193476       10.4829056467        2.9560695365
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  C         2.5857111387        7.8535947016        4.6584909249
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  F        11.2165404282        9.0174028358       20.2227185841
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  C        11.4388587899       11.0395072915       18.2024194992
  C        11.8887896226       12.0128211938       17.3103697906
  C        12.7687580951       11.6835552468       16.2710985180
  C        13.2428927845       10.3740070207       16.0775276852
  C        12.7623111077        9.4017470553       16.9806918472
  B        14.1544707454        9.9819918078       14.7700509187
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  C        15.7616414151       12.0578742348       15.2244305259
  C        16.7007906083       13.0218263404       14.8367650389
  C        17.0861458007       13.1512188003       13.4976254238
  C        16.5062104351       12.2866673375       12.5611935729
  C        15.5685094167       11.3268769477       12.9600602708
  C        16.8420834145       12.3973212683       11.0969112154
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  F        15.7543640828       12.8160116360       10.3459634728
  F        17.2354166744       11.1907458382       10.5611818414
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  F        18.1482734595       14.8385103328       15.4057623160
  F        17.8385971553       13.2541823872       16.9334712888
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  C        12.4463071389       10.6746783324       12.8453834476
  C        11.4658421600       10.4124450634       11.8790665333
  C        11.0440089020        9.1070082366       11.6273237650
  C        11.6014412119        8.0758679622       12.3854613067
  C        12.5739330581        8.3415060933       13.3550217642
  C        11.0270448533        6.6992948543       12.2313353232
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  F        11.9228186483        5.6913449408       12.4654340665
  F        10.0060787415        6.4974358158       13.1315316793
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  F        10.6240777836       12.6598538342       11.7439962124
  F        11.7670005386       11.8877063095       10.0450451651
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  C        15.8553141080        8.5666329830       16.2865864028
  C        16.8097144457        7.5592298418       16.4637585755
  C        17.1175007453        6.6704455199       15.4298643373
  C        16.4817579714        6.8322443769       14.2065953928
  C        15.5564403060        7.8639944541       14.0138669919
  C        17.4840574996        7.2670252906       17.7702494666
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  F        16.7936288438        6.3145914579       18.4805324260
  F        18.7591638130        6.7892874187       17.5408076296
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  F        10.4814208664       13.7338934136       16.4321165072
  F        12.4022988594       14.3404411915       17.3058518960
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  F        17.3766538380        6.5267496082       12.0282266338
  F        15.6567985456        5.2690907047       12.6113580937
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  H        10.7487313626       11.2952359254       19.0014213016
  H        13.0884731637       12.4723540950       15.5911883687
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  H        12.9676372541        7.5101181129       13.9370134718
  H        15.6273798834        9.2299580050       17.1204582884
  H        17.8299733857        5.8683247118       15.5827934344
  H        15.1063599846        7.9779203332       13.0288318920
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  F         3.3592876492       17.0875796416       18.6313801731
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  C         4.1819207007       19.0329250542       16.8413568488
  C         4.6936949580       20.0195230301       15.9745337442
  C         4.2780139111       21.3389861076       16.2253063510
  C         3.4390655262       21.6636543750       17.2990556135
  C         2.9643649312       20.6783051177       18.1599480853
  C         2.9234393332       23.0645293467       17.4347884118
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  F         3.9022928643       24.0238431747       17.3053814084
  F         1.9924574512       23.2935993293       16.4316973247
  B         5.6121936696       19.6365300977       14.6724192087
  C         6.6488721345       18.4098460516       14.9708038007
  C         7.2659704974       18.2766732916       16.2269079552
  C         8.2433476760       17.3079348853       16.4687279442
  C         8.6454928073       16.4194531584       15.4708456311
  C         8.0499655089       16.5419384564       14.2160581254
  C         7.0837213943       17.5248091860       13.9683707434
  C         8.4236725874       15.5963926504       13.1144712313
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  F         9.2159226262       14.5688236011       13.5620252108
  F         9.1081316811       16.2276449745       12.1007840881
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  F        10.0144876265       16.5639821557       17.8928679839
  F         7.9539383058       16.3793441909       18.6303265208
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  C         7.2148353140       21.6958062829       15.2311351151
  C         8.1646025649       22.6653392241       14.8896901821
  C         8.5902472613       22.8204333230       13.5670879226
  C         8.0393291920       21.9744674381       12.6042452685
  C         7.0861457744       21.0109242789       12.9487039819
  C         8.4039881663       22.1122757899       11.1581874257
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  F         9.3802300738       23.0320915639       10.9269800089
  F         7.3247326723       22.5146256157       10.4081283529
  C         8.6821091351       23.5847928285       15.9565386569
  F         9.6015792565       24.4688305853       15.4764468063
  F         7.6876743439       24.3577081496       16.5044332513
  F         9.2705390535       22.8895816312       17.0029521310
  C         4.5420392146       19.2819012575       13.4812328839
  C         4.0523099843       17.9792384998       13.2697347755
  C         3.0836112498       17.6952591109       12.2965274256
  C         2.5593027003       18.7113669825       11.4964031092
  C         3.0183201827       20.0181211200       11.7030601643
  C         3.9794300177       20.2951383538       12.6788723766
  C         2.3989558600       21.1147969778       10.8866886332
  F         2.3720068218       20.7826164763        9.5419039846
  F         1.0898819029       21.3346749329       11.2600483166
  F         3.0363737091       22.3171620418       10.9980138968
  C         2.5088163796       16.3088679394       12.1876486497
  F         1.9323277388       16.0519588080       10.9844229259
  F         3.4285349713       15.3141400603       12.3964704784
  F         1.5223721226       16.1209834150       13.1306290277
  H         4.4372201417       17.9888357699       16.6726759021
  H         4.6088283271       22.1381013402       15.5632606545
  H         2.3010987600       20.9288550856       18.9839124540
  H         6.9809517338       18.9449802311       17.0378598093
  H         9.3840239894       15.6500943097       15.6718313378
  H         6.6582601977       17.5929467377       12.9680187684
  H         6.9164828223       21.6077863897       16.2751772305
  H         9.3113955471       23.5840986716       13.2942614195
  H         6.6838593780       20.3741528761       12.1623672156
  H         4.4301413626       17.1596330659       13.8800799768
  H         1.8062675449       18.4932473412       10.7434371040
  H         4.2984506869       21.3265995704       12.8162608734
  F        15.6186429014        1.2751099119       -0.2930439495
  C        15.6624523215        1.6684410083        1.0284391745
  F        16.9916327620        1.8962991115        1.3185900551
  F        15.0495413207        2.8842970213        1.1015548431
  C        15.0746957060        0.6115630050        1.9254528147
  C        14.2243524498        0.9234009396        2.9931252827
  C        13.7284186378       -0.0721612506        3.8637721973
  C        14.1683573766       -1.3845308103        3.6288557399
  C        15.0055800533       -1.7037573238        2.5554973055
  C        15.4629944285       -0.7129869921        1.6863804665
  C        15.4680140857       -3.1195724070        2.3836267575
  F        16.0486941991       -3.3177971183        1.1713207615
  F        14.4478031638       -4.0414175144        2.4964685187
  F        16.4091501071       -3.4512401179        3.3544952606
  B        12.7862002023        0.2707672428        5.1576217544
  C        11.7366288271        1.4834896945        4.8449562024
  C        11.1268692803        1.5963794221        3.5804910970
  C        10.1465040219        2.5564463714        3.3190708970
  C         9.7320501230        3.4560086005        4.3056562653
  C        10.3178120002        3.3531056093        5.5647193844
  C        11.2916218222        2.3799467007        5.8307767962
  C         9.9539563018        4.3109505897        6.6595125910
  F        11.0922626028        4.8782581228        7.1886725245
  F         9.1362315671        5.3319425657        6.2380868937
  F         9.3074125912        3.6817084816        7.6990951554
  C         9.6232300026        2.7200424764        1.9279908964
  F         9.4967915654        1.5338415006        1.2493893465
  F         8.4025883296        3.3408928528        1.9035193413
  F        10.4693793316        3.4760198231        1.1634209854
  C        11.7832436301       -0.9624604084        5.5503215666
  C        11.2417610720       -1.8372770834        4.5907761846
  C        10.2904247898       -2.8069174812        4.9266430824
  C         9.8248981614       -2.9386722880        6.2378522619
  C        10.3409499884       -2.0710263214        7.1988607936
  C        11.2979707465       -1.1065267095        6.8615462629
  C         9.9458157013       -2.1878153110        8.6396873847
  F         9.5858361515       -0.9740984007        9.1687761318
  F         8.9075123204       -3.0503462197        8.8702351782
  F        11.0139108121       -2.6144531698        9.3929577214
  C         9.7511168829       -3.6985308697        3.8495471472
  F         8.8176083121       -4.5678571005        4.3252510268
  F        10.7196659171       -4.4527448601        3.2285858105
  F         9.1411375065       -2.9678349302        2.8541279508
  C        13.8516657082        0.6102195566        6.3542929348
  C        14.3437205929        1.9089554233        6.5652535953
  C        15.3254304967        2.1852673639        7.5260752068
  C        15.8693783730        1.1708509843        8.3111572641
  C        15.4107231712       -0.1344943482        8.1007452406
  C        14.4274404312       -0.4067054408        7.1444293374
  C        16.0230477634       -1.2294806385        8.9224388090
  F        16.0412496181       -0.8758691019       10.2621566026
  F        17.3295756071       -1.4916934803        8.5809499634
  F        15.3721264431       -2.4176831073        8.8047863201
  C        15.8738070454        3.5758408513        7.6217978892
  F        16.4771448093        3.8575870126        8.8091781936
  F        14.9136670153        4.5287787361        7.4081683444
  F        16.8296858616        3.7882052373        6.6594451448
  H        13.9438458889        1.9634518575        3.1533539625
  H        13.8498018607       -2.1845596983        4.2959878065
  H        16.1167401856       -0.9623765433        0.8548688663
  H        11.4233203852        0.9207228122        2.7791546001
  H         8.9918142596        4.2209892722        4.0919949722
  H        11.7168473095        2.3323694289        6.8322629950
  H        11.5642013644       -1.7658303528        3.5527433963
  H         9.0944312097       -3.6959782920        6.5035061213
  H        11.6716688351       -0.4484745011        7.6448245347
  H        13.9591928232        2.7328314977        5.9653883231
  H        16.6309274673        1.3891310776        9.0553894031
  H        14.1025944390       -1.4372700940        7.0105404356
  H        10.7960945985       11.7795640072        4.7022239438
  H        11.5946543273       10.0437393350        3.1261540734
     646
 i =      141, E =         0.0029084143
 Rh         3.6479252363        0.2410343612        4.8220286471
  P         5.3914149667        0.6386805724        6.2896593985
  C         5.2306407822       -0.3095331302        7.8718132351
  C         4.8419057909       -1.7851248710        7.6578996823
  C         4.5348249892       -2.4475586047        9.0114165347
  C         5.7181724795       -2.3309881676        9.9826412342
  C         6.1839007233       -0.8760427049       10.1425555218
  C         6.4594790013       -0.2005189211        8.7880338536
  C         5.6694080263        2.4062951185        6.8103464144
  C         4.6335412129        2.8245364003        7.8774064755
  C         4.6390139957        4.3333318550        8.1719578150
  C         4.5471727057        5.1664338247        6.8907587576
  C         5.6907685247        4.8042156658        5.9406645295
  C         5.6304194085        3.3178213247        5.5643435591
  C         7.0044743419        0.0969462188        5.5221622794
  C         6.9767598847        0.2334716581        3.9905215882
  P         5.3136848538       -0.2373070250        3.2954968606
  C         5.4779292083       -2.0237583318        2.7934604449
  C         4.3943100950       -2.4027443530        1.7638743722
  C         4.3852316723       -3.9057461399        1.4636493982
  C         4.2497023302       -4.7428265072        2.7375047060
  C         5.3889836810       -4.4217827745        3.7093571034
  C         5.4203472732       -2.9227418536        4.0498006724
  C         5.1216219977        0.7004241666        1.7101526227
  C         4.8384236161        2.1996593746        1.9272423462
  C         4.4299413888        2.8440652660        0.5916309717
  C         5.5055960028        2.6455022313       -0.4877127598
  C         5.8909833582        1.1656478720       -0.6471083532
  C         6.2635495479        0.5124316908        0.6971187934
  C         1.8880159356        0.3177029810        3.4715394825
  C         1.9120568188       -0.9301404062        4.1007471227
  C         1.0794784950       -0.7933916912        5.3900346298
  C         1.9495647096        0.1401931987        6.2589857375
  C         1.9244428932        1.3872180204        5.6327713600
  C         1.0389316740        1.2352242407        4.3795406818
  C        -0.0030579167        0.2094378438        4.9046086539
  H         4.3792913883        0.1838870479        8.3697662467
  H         5.6669145839       -2.3211020553        7.1648795995
  H         3.9749916383       -1.8570699919        6.9836574623
  H         4.2648850310       -3.5026708747        8.8626612921
  H         3.6502689330       -1.9616932903        9.4487565949
  H         5.4404798815       -2.7462247295       10.9623436145
  H         6.5535267612       -2.9436046440        9.6172012328
  H         7.0928064364       -0.8288375085       10.7604772664
  H         5.4056485787       -0.3038619373       10.6716257804
  H         6.7499517731        0.8466348739        8.9441257550
  H         7.3133904548       -0.6897782829        8.3018335957
  H         6.6772956142        2.4610772750        7.2531167264
  H         4.8204247242        2.2757251938        8.8102215607
  H         3.6277526689        2.5292018263        7.5472723487
  H         5.5606173315        4.6019507724        8.7079055907
  H         3.8060313311        4.5664073686        8.8509929304
  H         4.5629074348        6.2369542374        7.1379357435
  H         3.5853747937        4.9843449120        6.3885903282
  H         6.6526201027        5.0282074712        6.4220518261
  H         5.6531225075        5.4090062169        5.0252871703
  H         6.4592904280        3.0663822522        4.8864144935
  H         4.7017696648        3.1200531297        5.0041544189
  H         7.8421296918        0.6598534434        5.9585440779
  H         7.1449514731       -0.9546449018        5.8103044045
  H         7.7693728267       -0.3661026950        3.5200042998
  H         7.1475792316        1.2782306365        3.6954715629
  H         6.4674619317       -2.1384382622        2.3216174361
  H         4.5448822773       -1.8452511146        0.8294881922
  H         3.4041923653       -2.1063652522        2.1356663159
  H         5.3178256677       -4.1771016674        0.9481360891
  H         3.5655654525       -4.1247555721        0.7675308549
  H         4.2390875820       -5.8116299160        2.4831509034
  H         3.2810371537       -4.5381272655        3.2176158246
  H         5.2819436296       -4.9944366618        4.6428758034
  H         6.3486679760       -4.7230152003        3.2644825231
  H         6.2790555501       -2.7105912882        4.7029150531
  H         4.5199054639       -2.6606315924        4.6287826204
  H         4.2064288616        0.2585070630        1.2813830838
  H         5.7394062296        2.6974919819        2.3159116899
  H         4.0509212926        2.3354767501        2.6843908744
  H         4.2267883052        3.9143645702        0.7358175313
  H         3.4840696713        2.3926825760        0.2563534112
  H         6.3995342782        3.2293579146       -0.2240913683
  H         5.1490673057        3.0463869231       -1.4478593675
  H         6.7328243146        1.0653631735       -1.3479730589
  H         5.0448683240        0.6143488086       -1.0877489033
  H         7.1761717863        0.9779866181        1.0906128861
  H         6.4936112425       -0.5501122056        0.5467042138
  H         2.1237416611        0.5309950804        2.4326472166
  H         2.1786997625       -1.8853222904        3.6581398303
  H         0.7607737031       -1.7287227907        5.8565751751
  H         2.2412884186       -0.0733670001        7.2833129585
  H         2.2035846201        2.3442182180        6.0639834947
  H         0.6805368336        2.1645014770        3.9293524438
  H        -0.6214275723        0.6019445237        5.7182244486
  H        -0.6354654693       -0.2005008319        4.1101252068
 Rh        14.7196546453       19.6376984558       14.9741416037
  P        12.9611319715       19.2093435671       13.5244726320
  C        13.1352472223       20.1906965881       11.9598257831
  C        13.5101499448       21.6634767146       12.2124704355
  C        13.8471820179       22.3628202010       10.8852610693
  C        12.6872290830       22.2622218405        9.8848611486
  C        12.2474371405       20.8055965379        9.6754228346
  C        11.9366433473       20.0928443779       11.0044058855
  C        12.6721348024       17.4542667119       12.9669314919
  C        13.6876296727       17.0368933795       11.8817764588
  C        13.6132622569       15.5363573166       11.5590133570
  C        13.7790680770       14.6930859946       12.8260298955
  C        12.6810745784       15.0367103554       13.8368976352
  C        12.7108095120       16.5288732077       14.2038900832
  C        11.3417010423       19.7134656311       14.3158197256
  C        11.4072671460       19.6634495787       15.8534234254
  P        13.0796350570       20.1662478408       16.5056919621
  C        12.9086240287       21.9628476911       16.9586496756
  C        13.9836389293       22.4062223352       17.9730987899
  C        13.9885591241       23.9286617613       18.1833480423
  C        14.0943461592       24.6947015234       16.8612862444
  C        12.9497387639       24.3046863981       15.9236697497
  C        12.9708511371       22.7941001758       15.6584590482
  C        13.3283196449       19.2286300411       18.0840374621
  C        13.6057651021       17.7376333101       17.8062637538
  C        14.0288449491       17.0233108404       19.0984076386
  C        12.9694821556       17.1829695135       20.1995453584
  C        12.6215948779       18.6613326794       20.4418819973
  C        12.2254767491       19.3907089304       19.1425239136
  C        16.4545144064       19.6222721046       16.3508692445
  C        16.4702650027       20.8185284948       15.6271129487
  C        17.3210588591       20.5614517904       14.3677590395
  C        16.4403128646       19.5856470911       13.5566523095
  C        16.4203361887       18.3905372085       14.2774526664
  C        17.2915378692       18.6159585174       15.5307007036
  C        18.3699791727       19.5733871602       14.9498666338
  H        14.0040318705       19.7117971264       11.4773606199
  H        12.6680771483       22.1826046046       12.6941058758
  H        14.3586601806       21.7236124084       12.9113803115
  H        14.1033921004       23.4152767176       11.0711507499
  H        14.7476575703       21.8972097338       10.4573542233
  H        12.9791870549       22.7097761039        8.9231978866
  H        11.8354028849       22.8522935206       10.2512130741
  H        11.3600888993       20.7624603252        9.0266501351
  H        13.0506048866       20.2579648231        9.1575876201
  H        11.6647938730       19.0470878466       10.8120991818
  H        11.0608211136       20.5590986773       11.4740216436
  H        11.6611020984       17.4191068809       12.5289433422
  H        13.5133946871       17.6168931068       10.9654706981
  H        14.7082898439       17.2812184923       12.2108949330
  H        12.6433042843       15.3051602044       11.0949496696
  H        14.3831250712       15.2866000877       10.8148247996
  H        13.7631133452       13.6226452465       12.5771621326
  H        14.7662795995       14.8835648705       13.2735718158
  H        11.7015752905       14.7698746089       13.4165868544
  H        12.7979107850       14.4502824466       14.7583313518
  H        11.8695827579       16.7655303539       14.8732150502
  H        13.6275131204       16.7421879506       14.7768341220
  H        10.5310768727       19.0726885731       13.9389401429
  H        11.1215364492       20.7335480397       13.9712940408
  H        10.6228818485       20.2868147474       16.3066924829
  H        11.2425715604       18.6366566100       16.2088833692
  H        11.9141067613       22.0926509219       17.4153923704
  H        13.8217678009       21.9069615966       18.9385945087
  H        14.9781423371       22.0890769485       17.6298005987
  H        13.0653498193       24.2278286347       18.7001358992
  H        14.8208558167       24.1954712659       18.8484251216
  H        14.0933764314       25.7758790690       17.0545990782
  H        15.0581368952       24.4798663578       16.3761771927
  H        13.0232011023       24.8344509955       14.9633399502
  H        11.9869722054       24.5928797411       16.3688983836
  H        12.1447874421       22.5148785711       14.9895042661
  H        13.8989744729       22.5346375662       15.1234577854
  H        14.2552930815       19.6692741008       18.4885993590
  H        12.6971740656       17.2608015694       17.4086591713
  H        14.3792414422       17.6356956226       17.0288610967
  H        14.2110265918       15.9592333793       18.8894935547
  H        14.9880424892       17.4398153971       19.4412472221
  H        12.0605109378       16.6350049362       19.9109571486
  H        13.3230228944       16.7217427835       21.1330881824
  H        11.7999937542       18.7421673416       21.1690448655
  H        13.4907221885       19.1701714130       20.8884526251
  H        11.2847550829       18.9719701130       18.7607942210
  H        12.0358899720       20.4513312851       19.3506224638
  H        16.2060662798       19.4988594692       17.4008155651
  H        16.2188262729       21.8107648921       15.9920600342
  H        17.6726210526       21.4487350053       13.8361853913
  H        16.1683280208       19.7254399952       12.5142190344
  H        16.1158033362       17.4110659720       13.9193174659
  H        17.6150421719       17.7156537812       16.0590228734
  H        18.9946744767       19.1046840496       14.1817882206
  H        18.9973271124       20.0287518424       15.7250147922
 Rh         5.9539090689       10.0600029349       14.9873227934
  P         4.1622042940        9.6024408916       13.5949492040
  C         3.8015242820        7.8489615792       13.0850259156
  C         3.7336789274        6.9270880710       14.3214346369
  C         3.6813272148        5.4411690533       13.9297213793
  C         4.8659928844        5.0688020946       13.0353834051
  C         4.8107499712        5.8926010302       11.7481638288
  C         4.8498840636        7.3974906218       12.0500704341
  C         2.5790384458       10.2045023943       14.3709470093
  C         2.6477558254       10.1087902031       15.9022807256
  P         4.3292717848       10.6033476528       16.5336833453
  C         4.1492723013       12.3806526745       17.0404607137
  C         4.0150479536       13.2649685676       15.7810378733
  C         4.0828968812       14.7656194734       16.1013816703
  C         5.3697651363       15.0892501531       16.8641874586
  C         5.4071475998       14.2979655657       18.1732731337
  C         5.3401771852       12.7864769101       17.9324793017
  C         4.5663434549        9.6623842346       18.1102932454
  C         4.9062044802        8.1837397922       17.8408685071
  C         5.2030760098        7.4566189068       19.1598527631
  C         4.0183714426        7.5673915456       20.1301162590
  C         3.3901998428        9.8053939798       19.0899207572
  C         3.6608194994        9.0376114228       20.3957985377
  C         4.3607918002       10.5576269846       12.0191689691
  C         4.7098417778       12.0354822855       12.2827661103
  C         5.0256778770       12.7608202718       10.9644478143
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  C        12.7622823971        9.4016548729       16.9805461126
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  C        17.0861484211       13.1512079743       13.4976218048
  C        16.5062330650       12.2866187574       12.5611120828
  C        15.5685740521       11.3268401080       12.9600001951
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  F        18.1483209323       14.8385393880       15.4057046168
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  F        10.6238999197       12.6601740160       11.7442692522
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  C        16.8097707700        7.5592859503       16.4639664991
  C        17.1174428549        6.6706094245       15.4296927034
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  C        15.5561478107        7.8641199031       14.0138997903
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  F        16.7937306600        6.3147299907       18.4804978042
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  F         3.3595812139       17.0875235468       18.6312220481
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  F         3.9024168825       24.0238932826       17.3052679713
  F         1.9922326123       23.2936652803       16.4315297489
  B         5.6120526714       19.6365241622       14.6726713265
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  C         7.2657797116       18.2766500743       16.2269397142
  C         8.2434040540       17.3078624602       16.4687820294
  C         8.6455088873       16.4195605959       15.4707435378
  C         8.0499444646       16.5419525772       14.2161203593
  C         7.0835934718       17.5247147147       13.9683910118
  C         8.4236615275       15.5963657621       13.1143798170
  F         7.3130276441       15.0304672594       12.5393180998
  F         9.2159149737       14.5687950514       13.5620358764
  F         9.1081483902       16.2276660535       12.1008314466
  C         8.7837969008       17.1549143057       17.8521900066
  F         8.9100304718       18.3673009174       18.4838782239
  F        10.0145096100       16.5639249696       17.8928102065
  F         7.9539091257       16.3793512623       18.6303102775
  C         6.6343137682       20.8486236475       14.2683901363
  C         7.2149610518       21.6956776565       15.2311375379
  C         8.1645296355       22.6652076792       14.8897314340
  C         8.5901617337       22.8204560697       13.5671160891
  C         8.0393538954       21.9744670677       12.6041587528
  C         7.0861807858       21.0108395523       12.9487612441
  C         8.4040384632       22.1122123035       11.1581539851
  F         8.8234740417       20.9055748623       10.6313711259
  F         9.3801582143       23.0320442475       10.9270380848
  F         7.3247315040       22.5146390217       10.4081444424
  C         8.6821469921       23.5847862800       15.9566127406
  F         9.6015890137       24.4688489259       15.4764333191
  F         7.6876759953       24.3576952962       16.5044155277
  F         9.2704999313       22.8895986167       17.0029162985
  C         4.5418868149       19.2818813547       13.4810869187
  C         4.0523368008       17.9792913058       13.2697860429
  C         3.0835822123       17.6954155019       12.2964416725
  C         2.5594579826       18.7112235105       11.4965749641
  C         3.0182116021       20.0181153747       11.7029496007
  C         3.9796418757       20.2951187521       12.6791328302
  C         2.3990370895       21.1149683701       10.8867101683
  F         2.3719780465       20.7825946210        9.5418949328
  F         1.0898999548       21.3346569804       11.2600978699
  F         3.0362548634       22.3170015674       10.9980180619
  C         2.5088672299       16.3088203268       12.1876869537
  F         1.9322773398       16.0519290186       10.9843707272
  F         3.4285013412       15.3141627786       12.3964678892
  F         1.5223478460       16.1209570160       13.1306457169
  H         4.4372254439       17.9886716247       16.6726192960
  H         4.6090924530       22.1381310268       15.5633885896
  H         2.3010219154       20.9287375603       18.9835760248
  H         6.9808123646       18.9447672621       17.0379321926
  H         9.3843099640       15.6501865327       15.6717828045
  H         6.6581200312       17.5927575136       12.9681616535
  H         6.9167077142       21.6075560007       16.2751982925
  H         9.3112259238       23.5842382374       13.2942147950
  H         6.6839189611       20.3740226216       12.1623693164
  H         4.4301002453       17.1596046197       13.8800999376
  H         1.8061850292       18.4932437468       10.7433608446
  H         4.2984092754       21.3265345908       12.8162857330
  F        15.6188533349        1.2748345706       -0.2930555912
  C        15.6624593540        1.6684351006        1.0283814041
  F        16.9916311765        1.8962099581        1.3185829022
  F        15.0494640021        2.8844320153        1.1018013676
  C        15.0746695587        0.6117097785        1.9255075833
  C        14.2242983760        0.9233228077        2.9929169525
  C        13.7281816929       -0.0721285070        3.8637546604
  C        14.1682406274       -1.3845871854        3.6285862571
  C        15.0055050785       -1.7038550424        2.5555862757
  C        15.4632546203       -0.7130011821        1.6863606409
  C        15.4679944965       -3.1196383062        2.3836573610
  F        16.0486872924       -3.3177814504        1.1713135478
  F        14.4478352428       -4.0413474299        2.4964386292
  F        16.4091187837       -3.4511921935        3.3544592837
  B        12.7861371076        0.2708474329        5.1574809264
  C        11.7367429607        1.4835077440        4.8450047792
  C        11.1267688842        1.5965999510        3.5803609571
  C        10.1464831513        2.5565584068        3.3190661138
  C         9.7319677471        3.4561036350        4.3055542365
  C        10.3178535265        3.3530707382        5.5646487992
  C        11.2916106452        2.3800662380        5.8307879689
  C         9.9537263777        4.3109511613        6.6594180354
  F        11.0925232742        4.8784679616        7.1888693098
  F         9.1362531147        5.3319283154        6.2380786612
  F         9.3073769145        3.6816489858        7.6991340537
  C         9.6231794050        2.7200257697        1.9280869034
  F         9.4967369850        1.5339322851        1.2493722130
  F         8.4026959774        3.3408139589        1.9034404035
  F        10.4693773603        3.4760599201        1.1633467068
  C        11.7830965219       -0.9623223694        5.5502775034
  C        11.2415092818       -1.8370993757        4.5907133635
  C        10.2904270207       -2.8068211994        4.9265454959
  C         9.8249065618       -2.9388083438        6.2378865590
  C        10.3410373684       -2.0709038806        7.1988954137
  C        11.2978336741       -1.1065014113        6.8614805563
  C         9.9458003576       -2.1878152934        8.6396971219
  F         9.5858621508       -0.9741196908        9.1687425234
  F         8.9075219290       -3.0503394744        8.8702310550
  F        11.0139134994       -2.6144431247        9.3929530934
  C         9.7510691027       -3.6985425907        3.8495345810
  F         8.8176129295       -4.5678503943        4.3252584325
  F        10.7196749499       -4.4527205989        3.2285916428
  F         9.1411611902       -2.9678295200        2.8541305583
  C        13.8517159785        0.6099220215        6.3543241256
  C        14.3437302428        1.9088840238        6.5651628123
  C        15.3258139656        2.1854311902        7.5262658774
  C        15.8691539585        1.1708971029        8.3107026292
  C        15.4107933865       -0.1343695166        8.1007021785
  C        14.4270961833       -0.4068378809        7.1441013448
  C        16.0231652307       -1.2296049892        8.9226005976
  F        16.0411448625       -0.8757571941       10.2621507522
  F        17.3296723989       -1.4916231981        8.5807026856
  F        15.3719425532       -2.4177973711        8.8046437987
  C        15.8733171838        3.5756839176        7.6219876068
  F        16.4769554193        3.8576472903        8.8088942538
  F        14.9142120638        4.5285163605        7.4083513691
  F        16.8298852789        3.7884376385        6.6592892670
  H        13.9436107943        1.9634369788        3.1531426868
  H        13.8493952515       -2.1846523458        4.2957016776
  H        16.1171136001       -0.9623054667        0.8551767169
  H        11.4233961262        0.9208270040        2.7790200514
  H         8.9918411550        4.2209907279        4.0919952261
  H        11.7168432881        2.3324120949        6.8321626726
  H        11.5637740455       -1.7654778525        3.5526203609
  H         9.0946609702       -3.6961521340        6.5035539701
  H        11.6715704448       -0.4483472716        7.6447744824
  H        13.9591795334        2.7329489708        5.9651895494
  H        16.6312189842        1.3891191742        9.0552622790
  H        14.1025373649       -1.4370309656        7.0105843154
  H        10.7957826314       11.7799059031        4.7006604288
  H        11.5942929427       10.0429393657        3.1259567577
     646
 i =      142, E =         0.0014319812
 Rh         3.6481210786        0.2410898277        4.8220739508
  P         5.3915390929        0.6386943099        6.2897855921
  C         5.2306754906       -0.3097264037        7.8718280303
  C         4.8421258583       -1.7853963404        7.6575359422
  C         4.5348365024       -2.4479536681        9.0109801875
  C         5.7180726820       -2.3316108956        9.9822759537
  C         6.1837123096       -0.8767309723       10.1425337810
  C         6.4593785291       -0.2007815956        8.7882691094
  C         5.6694345086        2.4063214740        6.8104906078
  C         4.6334045599        2.8246707882        7.8773817741
  C         4.6395690430        4.3334691593        8.1721348019
  C         4.5474359952        5.1665695306        6.8909043219
  C         5.6905876338        4.8042151533        5.9403595182
  C         5.6303902716        3.3177416178        5.5644610566
  C         7.0046307769        0.0971096214        5.5222095510
  C         6.9769161080        0.2335664463        3.9905715335
  P         5.3138194136       -0.2373191521        3.2955996782
  C         5.4785184197       -2.0237656239        2.7935346637
  C         4.3948772636       -2.4027899674        1.7638960110
  C         4.3855216165       -3.9059112381        1.4639188884
  C         4.2498885393       -4.7427470813        2.7380376397
  C         5.3895585423       -4.4217571777        3.7095579585
  C         5.4207278400       -2.9226212225        4.0500904234
  C         5.1213386969        0.7002564492        1.7102187062
  C         4.8379893537        2.1994526049        1.9273138108
  C         4.4300115805        2.8441346100        0.5918126584
  C         5.5059262127        2.6457163806       -0.4871100152
  C         5.8907444332        1.1658845329       -0.6470283302
  C         6.2630951105        0.5121824307        0.6970055016
  C         1.8882320231        0.3176041480        3.4716237213
  C         1.9121825173       -0.9298578401        4.1009139995
  C         1.0795421385       -0.7931382435        5.3903430281
  C         1.9498441656        0.1407297082        6.2591737461
  C         1.9248207523        1.3878131028        5.6325860553
  C         1.0391637912        1.2356300198        4.3792771941
  C        -0.0028457329        0.2099022374        4.9046258813
  H         4.3792152856        0.1834611569        8.3696738450
  H         5.6674158990       -2.3211968183        7.1647832363
  H         3.9755240327       -1.8573444799        6.9831064169
  H         4.2648060340       -3.5030769076        8.8619983826
  H         3.6502441780       -1.9621190521        9.4482356616
  H         5.4403152834       -2.7471043847       10.9619248389
  H         6.5534493388       -2.9441865500        9.6167812979
  H         7.0926996135       -0.8296491196       10.7605488167
  H         5.4054888759       -0.3047133738       10.6718176774
  H         6.7495830010        0.8464160656        8.9446847099
  H         7.3134448006       -0.6896965179        8.3020431281
  H         6.6771942379        2.4611638792        7.2534615352
  H         4.8196924341        2.2756071207        8.8100912442
  H         3.6275590502        2.5299950133        7.5468354295
  H         5.5616855660        4.6016219705        8.7075408718
  H         3.8071819751        4.5668439701        8.8515383498
  H         4.5634820398        6.2371063898        7.1381066453
  H         3.5853276670        4.9846812134        6.3892506492
  H         6.6525633822        5.0287414230        6.4209367621
  H         5.6520720450        5.4086844709        5.0246461190
  H         6.4595864871        3.0662991740        4.8866130193
  H         4.7019903696        3.1196249484        5.0040707324
  H         7.8422794280        0.6601161108        5.9585937808
  H         7.1452195110       -0.9544258138        5.8103462511
  H         7.7695192960       -0.3659005766        3.5200893833
  H         7.1476985826        1.2784547333        3.6954692988
  H         6.4679806935       -2.1383034601        2.3219872269
  H         4.5460839857       -1.8456632030        0.8292945022
  H         3.4048893005       -2.1059370172        2.1351792375
  H         5.3178060270       -4.1776198376        0.9483974779
  H         3.5655854263       -4.1248154630        0.7680545900
  H         4.2390309166       -5.8115185551        2.4838664629
  H         3.2814590040       -4.5376956871        3.2183202655
  H         5.2827998023       -4.9943730641        4.6430679765
  H         6.3490419318       -4.7228197942        3.2643846112
  H         6.2794171160       -2.7104348717        4.7031271806
  H         4.5203406398       -2.6606336714        4.6288621939
  H         4.2060732800        0.2581993302        1.2816762731
  H         5.7387253073        2.6973061424        2.3165272018
  H         4.0501185601        2.3350187005        2.6843055852
  H         4.2267493298        3.9144734736        0.7362074372
  H         3.4841250330        2.3928979887        0.2560269641
  H         6.4000529148        3.2291507895       -0.2228522959
  H         5.1500217445        3.0473245472       -1.4473579091
  H         6.7325593890        1.0653776538       -1.3479482971
  H         5.0443670518        0.6150368496       -1.0878579244
  H         7.1759467994        0.9771474405        1.0905160652
  H         6.4926131773       -0.5504887747        0.5463036822
  H         2.1239674046        0.5308366918        2.4325791118
  H         2.1787699153       -1.8852949623        3.6585158280
  H         0.7608958363       -1.7280042614        5.8569583132
  H         2.2414740742       -0.0725648194        7.2833174229
  H         2.2040153194        2.3446776592        6.0634752688
  H         0.6809443151        2.1646639899        3.9290416510
  H        -0.6211159589        0.6026721102        5.7182758175
  H        -0.6353392572       -0.2000957543        4.1103334874
 Rh        14.7197212771       19.6377563165       14.9740829527
  P        12.9613791242       19.2094748178       13.5243685743
  C        13.1355178638       20.1906926851       11.9596381739
  C        13.5104006448       21.6635599133       12.2125577054
  C        13.8472319643       22.3630305498       10.8852316679
  C        12.6870722683       22.2625111195        9.8849707106
  C        12.2472240219       20.8058823939        9.6755055747
  C        11.9366731022       20.0929973462       11.0045021791
  C        12.6725177685       17.4542601516       12.9671437895
  C        13.6881547385       17.0369405559       11.8820665544
  C        13.6136462693       15.5363732334       11.5590790719
  C        13.7788712659       14.6927523885       12.8259538538
  C        12.6810690352       15.0367454168       13.8369626209
  C        12.7113071802       16.5288588313       14.2040788561
  C        11.3419644267       19.7139638221       14.3154073684
  C        11.4072409230       19.6632466897       15.8530191277
  P        13.0794965211       20.1661458698       16.5054771981
  C        12.9080938019       21.9626558671       16.9587361871
  C        13.9835409385       22.4056894796       17.9729082032
  C        13.9884734051       23.9279578596       18.1837675921
  C        14.0946409060       24.6942713830       16.8618409783
  C        12.9497267718       24.3049371651       15.9242087266
  C        12.9699714671       22.7942803460       15.6586831008
  C        13.3282011996       19.2286136208       18.0838258681
  C        13.6058949959       17.7376447293       17.8063177090
  C        14.0285334720       17.0233884318       19.0985306303
  C        12.9689795239       17.1831851628       20.1994147694
  C        12.6213862381       18.6615841427       20.4416810295
  C        12.2254509925       19.3908451106       19.1422913986
  C        16.4548658541       19.6220759063       16.3504333665
  C        16.4703805204       20.8186580615       15.6272613585
  C        17.3210859485       20.5614490573       14.3676983393
  C        16.4400525449       19.5858574711       13.5561025063
  C        16.4204255522       18.3909948352       14.2772525826
  C        17.2916975354       18.6156720731       15.5303594501
  C        18.3699964245       19.5733801758       14.9493039587
  H        14.0041579871       19.7119447026       11.4771048255
  H        12.6683177102       22.1825669966       12.6942488373
  H        14.3588869772       21.7236398325       12.9112101165
  H        14.1033305158       23.4154561909       11.0712435061
  H        14.7475819357       21.8975266834       10.4572213040
  H        12.9789203083       22.7100733742        8.9233670512
  H        11.8353308555       22.8525918891       10.2515107013
  H        11.3596449734       20.7629057096        9.0269803386
  H        13.0501622059       20.2583180969        9.1574053008
  H        11.6648453854       19.0472231796       10.8121136688
  H        11.0609742976       20.5591435152       11.4743287865
  H        11.6615061514       17.4188926669       12.5291739981
  H        13.5141916039       17.6170020537       10.9658684972
  H        14.7087416196       17.2810357923       12.2114773765
  H        12.6437861728       15.3054795899       11.0946790508
  H        14.3836754121       15.2866565991       10.8151487724
  H        13.7623433329       13.6224634097       12.5768412151
  H        14.7661801584       14.8826057187       13.2736423823
  H        11.7013896095       14.7704318713       13.4165410652
  H        12.7975996737       14.4501331088       14.7581894858
  H        11.8705366178       16.7656727588       14.8737520186
  H        13.6284282260       16.7418677640       14.7767036211
  H        10.5310251511       19.0740907123       13.9379588171
  H        11.1227182266       20.7344859976       13.9714515995
  H        10.6226810776       20.2860655603       16.3064652520
  H        11.2427755913       18.6360775971       16.2078977838
  H        11.9138572343       22.0921619871       17.4159107035
  H        13.8221770046       21.9059175882       18.9382140321
  H        14.9779478873       22.0887937475       17.6289729997
  H        13.0650582966       24.2269885888       18.7003694233
  H        14.8205379663       24.1945452065       18.8491220119
  H        14.0941597531       25.7753499054       17.0552992494
  H        15.0583245452       24.4789662111       16.3767933630
  H        13.0237203467       24.8346525829       14.9638471920
  H        11.9872722260       24.5938030867       16.3693317667
  H        12.1428663359       22.5158180433       14.9904311509
  H        13.8971769779       22.5344177574       15.1228634857
  H        14.2552669294       19.6694474157       18.4883689588
  H        12.6976165445       17.2607161303       17.4082808611
  H        14.3797984409       17.6358037554       17.0291394675
  H        14.2107982536       15.9592760292       18.8897481486
  H        14.9877408955       17.4398628429       19.4417313717
  H        12.0598496992       16.6355553741       19.9104197669
  H        13.3220085799       16.7217071030       21.1329797109
  H        11.7999859497       18.7427766700       21.1689536041
  H        13.4908368954       19.1702903338       20.8881276196
  H        11.2846767493       18.9721242071       18.7605828164
  H        12.0358652263       20.4515521098       19.3502401549
  H        16.2063747375       19.4984480152       17.4007917204
  H        16.2190914304       21.8104951283       15.9922148696
  H        17.6725294345       21.4489862195       13.8360889410
  H        16.1681453211       19.7258152268       12.5143192758
  H        16.1156767130       17.4110543780       13.9187848612
  H        17.6152433104       17.7155902609       16.0583017756
  H        18.9945333897       19.1047691139       14.1810817480
  H        18.9976222437       20.0286060999       15.7244801693
 Rh         5.9536655926       10.0599502740       14.9873827232
  P         4.1621425336        9.6027154789       13.5946460748
  C         3.8022010039        7.8491003484       13.0850146881
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 Rh        12.6573873218        9.8059380013        4.6977620581
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  F        18.1482353019       14.8384747263       15.4057758876
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  F        11.9228740755        5.6913045132       12.4654738159
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  F        10.6241486840       12.6596760448       11.7439281876
  F        11.7669537703       11.8876825035       10.0451475377
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  C        15.8556358019        8.5662304875       16.2869239169
  C        16.8095656909        7.5592004586       16.4632024728
  C        17.1173062688        6.6711703647       15.4301108928
  C        16.4816881407        6.8323188650       14.2066854145
  C        15.5562805992        7.8635172292       14.0134573101
  C        17.4840606799        7.2669860034       17.7701674498
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  F        16.7935572505        6.3145034672       18.4806127534
  F        18.7592081403        6.7892654654       17.5408052051
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  F        10.4814499644       13.7338750938       16.4321458804
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  F        17.3766150471        6.5267241359       12.0283039765
  F        15.6569684923        5.2691734846       12.6114706252
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  H        10.7490854319       11.2952910500       19.0017129506
  H        13.0884388392       12.4722988392       15.5912747367
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  H        15.1412781326       10.6734840121       12.2007246486
  H        12.7467415901       11.7084049213       13.0151774895
  H        10.2837701108        8.8984416639       10.8809097824
  H        12.9670736522        7.5101118702       13.9375728166
  H        15.6271654935        9.2299175930       17.1204734842
  H        17.8305602496        5.8684057319       15.5826193553
  H        15.1059649555        7.9775700040       13.0291556705
  F         2.7317485554       18.6332268904       20.0999349155
  C         2.7308973188       18.2907372792       18.7680395236
  F         1.4068929122       18.0788118471       18.4736609016
  F         3.3592342970       17.0876442294       18.6313627901
  C         3.3390676562       19.3555631235       17.9099348364
  C         4.1818325150       19.0338377105       16.8412100182
  C         4.6933631966       20.0194492681       15.9751146495
  C         4.2788280125       21.3386054878       16.2247467913
  C         3.4388152566       21.6643981513       17.2991615803
  C         2.9637656539       20.6776782195       18.1603731025
  C         2.9232557523       23.0646185435       17.4349363987
  F         2.3000265024       23.2920522070       18.6240272985
  F         3.9022337100       24.0237191740       17.3053996564
  F         1.9926382007       23.2934806777       16.4318297355
  B         5.6122638302       19.6363920853       14.6724048487
  C         6.6486435207       18.4096995573       14.9710146733
  C         7.2659806566       18.2761637579       16.2269548984
  C         8.2432410737       17.3079126110       16.4685220519
  C         8.6456415102       16.4197413649       15.4710783898
  C         8.0501512964       16.5415981398       14.2159040642
  C         7.0833127427       17.5247108317       13.9682602175
  C         8.4236446010       15.5965352995       13.1146386928
  F         7.3129094615       15.0303762933       12.5391115218
  F         9.2159417459       14.5687865707       13.5620157474
  F         9.1081845035       16.2276525438       12.1007183920
  C         8.7837914125       17.1548185370       17.8521399694
  F         8.9101278333       18.3673792471       18.4839865026
  F        10.0145239396       16.5639748488       17.8928960476
  F         7.9539298718       16.3793290321       18.6303585406
  C         6.6342865410       20.8483595316       14.2683242699
  C         7.2149375590       21.6954200028       15.2314954160
  C         8.1647633997       22.6654327856       14.8898657726
  C         8.5901131350       22.8204628171       13.5668135248
  C         8.0392146319       21.9743537860       12.6044413501
  C         7.0864042353       21.0108837263       12.9486342920
  C         8.4039438601       22.1122298858       11.1582187086
  F         8.8235341097       20.9054818114       10.6312646878
  F         9.3802814955       23.0321421958       10.9269599000
  F         7.3247141533       22.5146271411       10.4081077423
  C         8.6820738732       23.5846617804       15.9564679059
  F         9.6015821686       24.4688292939       15.4764529909
  F         7.6876520127       24.3577412504       16.5044554774
  F         9.2705599017       22.8895820773       17.0029889933
  C         4.5421335958       19.2820583204       13.4813843346
  C         4.0526590134       17.9787215013       13.2702917479
  C         3.0832803469       17.6949740793       12.2962254015
  C         2.5594683660       18.7118623165       11.4964175124
  C         3.0185437295       20.0177989239       11.7033527503
  C         3.9790641266       20.2949994411       12.6785601303
  C         2.3988936878       21.1147136920       10.8866487376
  F         2.3720003087       20.7826257738        9.5418652764
  F         1.0898508016       21.3346822092       11.2601019774
  F         3.0364848478       22.3173288529       10.9980252769
  C         2.5088876594       16.3089669229       12.1877319716
  F         1.9323284516       16.0519660335       10.9844137024
  F         3.4285486649       15.3140827598       12.3964561828
  F         1.5223918019       16.1209955571       13.1305891608
  H         4.4372143040       17.9883590506       16.6725932932
  H         4.6092134840       22.1380992037       15.5637930329
  H         2.3007809330       20.9287863073       18.9833618345
  H         6.9805646258       18.9446637717       17.0381303080
  H         9.3845336714       15.6503753554       15.6716543849
  H         6.6579650090       17.5925352018       12.9683293492
  H         6.9169862077       21.6073046116       16.2751482721
  H         9.3109657622       23.5843323487       13.2942340805
  H         6.6839798230       20.3738784761       12.1624229091
  H         4.4299014414       17.1599071956       13.8798872918
  H         1.8061965032       18.4931895531       10.7433924676
  H         4.2984954749       21.3266880743       12.8164179632
  F        15.6186350217        1.2751397150       -0.2929849347
  C        15.6624875716        1.6685379651        1.0283672543
  F        16.9915909401        1.8963067001        1.3185697776
  F        15.0496145977        2.8841754422        1.1015525642
  C        15.0746591820        0.6116357481        1.9255283654
  C        14.2241054328        0.9232447200        2.9928597882
  C        13.7281450579       -0.0721793930        3.8634310636
  C        14.1679047013       -1.3845627205        3.6285329827
  C        15.0055333096       -1.7038143477        2.5554906939
  C        15.4634683854       -0.7129875955        1.6864540313
  C        15.4680130802       -3.1195555849        2.3836089462
  F        16.0486916260       -3.3177998492        1.1713073011
  F        14.4477799470       -4.0414237744        2.4964605523
  F        16.4091383458       -3.4512399056        3.3544677387
  B        12.7860843453        0.2708338710        5.1574554494
  C        11.7364653262        1.4838893247        4.8447771303
  C        11.1271324326        1.5965154069        3.5806591158
  C        10.1464147228        2.5566014489        3.3187699295
  C         9.7318357838        3.4563426142        4.3056274211
  C        10.3178142752        3.3532367642        5.5647656531
  C        11.2916996956        2.3798962554        5.8303811814
  C         9.9539965124        4.3110387314        6.6595916230
  F        11.0921263099        4.8781618281        7.1885513575
  F         9.1362141789        5.3319531430        6.2380851175
  F         9.3074474117        3.6817363464        7.6990064926
  C         9.6232775680        2.7201005621        1.9279923035
  F         9.4967868238        1.5338564246        1.2493994554
  F         8.4024946193        3.3409429748        1.9035048704
  F        10.4693603725        3.4760434587        1.1634084848
  C        11.7829428887       -0.9621471600        5.5501613357
  C        11.2411782929       -1.8369498254        4.5906464996
  C        10.2903708615       -2.8067290927        4.9266182183
  C         9.8250452459       -2.9388581970        6.2377971519
  C        10.3409541413       -2.0709813245        7.1989243297
  C        11.2978065216       -1.1063063796        6.8614825608
  C         9.9458528488       -2.1878161295        8.6396253601
  F         9.5858304363       -0.9740633935        9.1687954771
  F         8.9075166875       -3.0503504259        8.8702334234
  F        11.0139284032       -2.6144572525        9.3929682672
  C         9.7510788324       -3.6985051174        3.8495383504
  F         8.8175903166       -4.5678768583        4.3252524032
  F        10.7196762133       -4.4527492736        3.2285792978
  F         9.1411188822       -2.9678252647        2.8540850326
  C        13.8516240204        0.6102805551        6.3540429451
  C        14.3436150300        1.9091792284        6.5648317879
  C        15.3255534832        2.1850417624        7.5260107846
  C        15.8694470994        1.1707425667        8.3107777383
  C        15.4108005698       -0.1343427706        8.1006005286
  C        14.4273235364       -0.4069688474        7.1443521621
  C        16.0229928095       -1.2295296667        8.9222932834
  F        16.0412759146       -0.8758658399       10.2621572557
  F        17.3295689920       -1.4917004044        8.5810043661
  F        15.3721697837       -2.4176608335        8.8048166620
  C        15.8740340977        3.5758456562        7.6216722417
  F        16.4771375082        3.8575258006        8.8091584241
  F        14.9134580321        4.5289260170        7.4080898445
  F        16.8296611371        3.7881509098        6.6594599374
  H        13.9433548646        1.9634086492        3.1528884765
  H        13.8489626780       -2.1847209539        4.2953263797
  H        16.1175511264       -0.9622314228        0.8555048228
  H        11.4234106354        0.9210471519        2.7789131295
  H         8.9918435003        4.2210137748        4.0919791821
  H        11.7169041971        2.3324916947        6.8322808216
  H        11.5633107367       -1.7650632228        3.5524440102
  H         9.0949031015       -3.6963682350        6.5036236757
  H        11.6714342269       -0.4482438330        7.6446654199
  H        13.9593296325        2.7326639089        5.9652348193
  H        16.6312776637        1.3890170112        9.0548605402
  H        14.1023288136       -1.4371472583        7.0105570433
  H        10.7953693686       11.7802541353        4.6988539017
  H        11.5939935521       10.0420316067        3.1256930409
     646
 i =      143, E =         0.0000089424
 Rh         3.6481611434        0.2411151700        4.8221204747
  P         5.3915721806        0.6386996471        6.2898058538
  C         5.2306995904       -0.3097924594        7.8718083759
  C         4.8422199258       -1.7854391715        7.6574990127
  C         4.5348289019       -2.4480740729        9.0108522828
  C         5.7180461202       -2.3317678837        9.9822149443
  C         6.1837165933       -0.8768754710       10.1425615241
  C         6.4593427431       -0.2008260929        8.7883176226
  C         5.6694136298        2.4063266910        6.8105308671
  C         4.6333723749        2.8247208184        7.8773648076
  C         4.6397622449        4.3334856935        8.1721365981
  C         4.5474911364        5.1666067599        6.8909599139
  C         5.6904919279        4.8042374164        5.9402298324
  C         5.6304738236        3.3177044213        5.5644447654
  C         7.0046794902        0.0971604447        5.5222277811
  C         6.9769277427        0.2336589130        3.9905801041
  P         5.3138677524       -0.2373334751        3.2956088869
  C         5.4785432752       -2.0237577320        2.7936121355
  C         4.3951017352       -2.4028185455        1.7638414833
  C         4.3855007323       -3.9059313622        1.4640374190
  C         4.2499870123       -4.7427038234        2.7381356154
  C         5.3896262545       -4.4217111047        3.7096148376
  C         5.4208783615       -2.9226321866        4.0500760143
  C         5.1212753038        0.7002223986        1.7102275997
  C         4.8378689121        2.1994067421        1.9273889457
  C         4.4299607127        2.8441716051        0.5918467411
  C         5.5060241876        2.6458260759       -0.4870443203
  C         5.8906926294        1.1659089218       -0.6470248336
  C         6.2629841806        0.5120910313        0.6969771074
  C         1.8882764810        0.3177941325        3.4714602850
  C         1.9122109307       -0.9300629191        4.1010255545
  C         1.0796413006       -0.7928276161        5.3903203012
  C         1.9498412331        0.1409689628        6.2589957704
  C         1.9248522399        1.3877004436        5.6325188147
  C         1.0392854567        1.2355681804        4.3793270585
  C        -0.0027865066        0.2100294799        4.9046953727
  H         4.3791810881        0.1833781872        8.3696655484
  H         5.6675228255       -2.3212156249        7.1647582695
  H         3.9756062217       -1.8574070795        6.9829579234
  H         4.2647942664       -3.5031487724        8.8618532416
  H         3.6502296095       -1.9622105072        9.4481248311
  H         5.4402815598       -2.7472930365       10.9618133211
  H         6.5534301919       -2.9443131296        9.6166864270
  H         7.0926441665       -0.8298335695       10.7605446050
  H         5.4054469794       -0.3049031927       10.6718598565
  H         6.7495002538        0.8463613686        8.9448111806
  H         7.3134620094       -0.6896824280        8.3020876101
  H         6.6771835374        2.4611849195        7.2535372373
  H         4.8195365348        2.2755720833        8.8100787377
  H         3.6275176281        2.5301677542        7.5467400410
  H         5.5619066147        4.6015466809        8.7074525017
  H         3.8074007642        4.5669512175        8.8516907694
  H         4.5636088460        6.2371358072        7.1381402214
  H         3.5853200942        4.9847566251        6.3893932275
  H         6.6525894292        5.0288633163        6.4207083357
  H         5.6518433883        5.4085904773        5.0245394976
  H         6.4596014610        3.0662945541        4.8866926046
  H         4.7020181228        3.1195306475        5.0040481517
  H         7.8423000932        0.6601686805        5.9585977778
  H         7.1452814127       -0.9543859211        5.8103602184
  H         7.7695720982       -0.3658711958        3.5200963844
  H         7.1477178323        1.2784636554        3.6954802776
  H         6.4681516944       -2.1382838464        2.3220391251
  H         4.5463369347       -1.8457650707        0.8292766275
  H         3.4049927082       -2.1058323879        2.1350982467
  H         5.3178515147       -4.1777456736        0.9484318446
  H         3.5655990507       -4.1248312967        0.7681710604
  H         4.2390137780       -5.8115169941        2.4840250369
  H         3.2815309354       -4.5375952020        3.2184875130
  H         5.2829921635       -4.9943694510        4.6431225101
  H         6.3491553455       -4.7227852183        3.2643513008
  H         6.2795059540       -2.7103959732        4.7031861534
  H         4.5203935167       -2.6606191592        4.6289088905
  H         4.2060024073        0.2581338237        1.2817426434
  H         5.7385757999        2.6972622424        2.3166612330
  H         4.0499704125        2.3349131343        2.6842587945
  H         4.2267517789        3.9144715453        0.7362911770
  H         3.4841708289        2.3929576702        0.2559665439
  H         6.4001486111        3.2290895655       -0.2225791621
  H         5.1502474473        3.0475136736       -1.4471974474
  H         6.7324923867        1.0653878489       -1.3479349169
  H         5.0442672940        0.6151986234       -1.0878731808
  H         7.1759114082        0.9769721395        1.0905006729
  H         6.4923922388       -0.5505522498        0.5462157217
  H         2.1240039038        0.5307730160        2.4326487768
  H         2.1787703376       -1.8852144283        3.6586232113
  H         0.7608761203       -1.7279791104        5.8571007811
  H         2.2415500469       -0.0724103722        7.2834396054
  H         2.2041438608        2.3448846572        6.0634070647
  H         0.6810026819        2.1647783338        3.9289212601
  H        -0.6210387095        0.6028261191        5.7182658683
  H        -0.6353295696       -0.2000154699        4.1103563672
 Rh        14.7197391773       19.6377846495       14.9740650845
  P        12.9614339990       19.2094943376       13.5243403808
  C        13.1355420818       20.1907387183       11.9596374063
  C        13.5104160985       21.6635576657       12.2124931178
  C        13.8472029552       22.3630822351       10.8852581109
  C        12.6870419152       22.2625582146        9.8850275193
  C        12.2471391256       20.8059684388        9.6755291727
  C        11.9367112174       20.0930113675       11.0045027775
  C        12.6726078503       17.4542591119       12.9671863804
  C        13.6882635786       17.0369061675       11.8821642955
  C        13.6137100286       15.5363960741       11.5591138236
  C        13.7788435510       14.6927257981       12.8259605670
  C        12.6810270439       15.0367630114       13.8369144650
  C        12.7114966755       16.5288513568       14.2041199563
  C        11.3420442708       19.7141244466       14.3153263450
  C        11.4072606423       19.6631265996       15.8529162561
  P        13.0794603728       20.1661269453       16.5054314018
  C        12.9080425723       21.9626114934       16.9587330710
  C        13.9835285929       22.4055574041       17.9728665178
  C        13.9884246540       23.9278162500       18.1838488843
  C        14.0946845988       24.6941461358       16.8619754660
  C        12.9498085255       24.3049762308       15.9242923116
  C        12.9696171408       22.7943399969       15.6587616267
  C        13.3282264814       19.2286271234       18.0838020181
  C        13.6059618339       17.7376509872       17.8062817659
  C        14.0285096086       17.0234105987       19.0985883574
  C        12.9688197625       17.1832150643       20.1993631352
  C        12.6214132486       18.6616635206       20.4416544802
  C        12.2254016125       19.3908932561       19.1422310551
  C        16.4548684647       19.6220199753       16.3506188158
  C        16.4704910584       20.8184700350       15.6271615101
  C        17.3210559583       20.5615729006       14.3675854637
  C        16.4401318915       19.5859428860       13.5563470069
  C        16.4203161028       18.3907458674       14.2770507976
  C        17.2917202649       18.6158526785       15.5301513669
  C        18.3700360551       19.5733702031       14.9492506532
  H        14.0042198290       19.7119574606       11.4770253109
  H        12.6683719968       22.1825606810       12.6942858534
  H        14.3589823662       21.7236480666       12.9112077603
  H        14.1033227189       23.4155024700       11.0712605518
  H        14.7475919083       21.8975848074       10.4571763764
  H        12.9788680330       22.7101505655        8.9233836691
  H        11.8353172725       22.8526565095       10.2515776319
  H        11.3595590425       20.7630034576        9.0270592286
  H        13.0500829834       20.2583848333        9.1573541869
  H        11.6648576689       19.0472603192       10.8121168859
  H        11.0609944575       20.5591637447       11.4744057002
  H        11.6615915113       17.4188475027       12.5292186338
  H        13.5143659438       17.6170440724       10.9659280937
  H        14.7088547652       17.2809990930       12.2116068481
  H        12.6438945940       15.3055505062       11.0946158268
  H        14.3838147673       15.2866607599       10.8152042170
  H        13.7621702381       13.6223917687       12.5767627582
  H        14.7661487114       14.8823874968       13.2736500864
  H        11.7013727313       14.7705604542       13.4165438706
  H        12.7975361501       14.4500831140       14.7581892417
  H        11.8707210876       16.7657130351       14.8738892756
  H        13.6286028176       16.7417936184       14.7766574823
  H        10.5309936454       19.0743806195       13.9377311393
  H        11.1229835851       20.7346756092       13.9714881186
  H        10.6226104178       20.2859231896       16.3064289393
  H        11.2428290144       18.6359856968       16.2076699256
  H        11.9137693158       22.0920600160       17.4160353679
  H        13.8222672020       21.9056872165       18.9381321576
  H        14.9778917838       22.0887301499       17.6287955550
  H        13.0650117979       24.2268001078       18.7004167651
  H        14.8204843533       24.1943415175       18.8492881816
  H        14.0943381616       25.7752540050       17.0554607037
  H        15.0583721551       24.4787651729       16.3769221712
  H        13.0238282522       24.8346937672       14.9639766862
  H        11.9872968992       24.5940129164       16.3694525150
  H        12.1424880438       22.5160380630       14.9906666432
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 Rh        12.6573504541        9.8059505459        4.6977622761
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  F        11.2165440069        9.0173962231       20.2226985055
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  C        13.2427721284       10.3739613965       16.0774992721
  C        12.7621066168        9.4015935584       16.9805049857
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  C        15.7614837845       12.0579744960       15.2243694423
  C        16.7006999292       13.0218115371       14.8367810016
  C        17.0861475937       13.1511759063       13.4976022692
  C        16.5062128124       12.2865797818       12.5611878757
  C        15.5685956114       11.3267327488       12.9600434009
  C        16.8420757081       12.3973119110       11.0968908664
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  F        15.7543744125       12.8160041655       10.3459814495
  F        17.2354116538       11.1907362683       10.5611771750
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  F        18.1482724924       14.8385050434       15.4057545984
  F        17.8385911122       13.2541753843       16.9334582406
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  C        12.4462385642       10.6746713719       12.8453401474
  C        11.4658951465       10.4124297730       11.8790198691
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  C        11.6013343740        8.0759430168       12.3854418306
  C        12.5735652173        8.3414502504       13.3552673493
  C        11.0270225404        6.6992868337       12.2313489742
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  F        11.9228017081        5.6913596693       12.4654297296
  F        10.0060720178        6.4974312028       13.1315246349
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  F        10.6240723361       12.6598528817       11.7440142971
  F        11.7670226750       11.8877097581       10.0450189200
  C        15.1901533380        8.7408093057       15.0507495227
  C        15.8551012571        8.5666556827       16.2865823733
  C        16.8098061317        7.5591942003       16.4637814912
  C        17.1176168753        6.6706413618       15.4297192520
  C        16.4817489981        6.8321980422       14.2066050639
  C        15.5561036431        7.8638776633       14.0139399730
  C        17.4840375532        7.2670437720       17.7702134047
  F        17.6134618179        8.3290283688       18.6222633775
  F        16.7936327869        6.3146105467       18.4805188313
  F        18.7591467689        6.7892924598       17.5408106565
  C        11.3919911997       13.4254817444       17.4306719868
  F        10.7857930194       13.6684360342       18.6260504981
  F        10.4814278143       13.7338795730       16.4321248077
  F        12.4023062576       14.3404453773       17.3058523584
  F        17.6305745297        4.8721547112       13.4875128924
  F        17.3766642846        6.5267480638       12.0282125331
  F        15.6568022418        5.2690535536       12.6113509636
  C        16.7876620023        5.8814293596       13.0907379037
  H        10.7490966935       11.2952866017       19.0017877020
  H        13.0884696257       12.4723209641       15.5912299945
  H        13.0678808994        8.3643312722       16.8589128771
  H        15.4892527489       11.9909931794       16.2767058807
  H        17.7987713791       13.9115132132       13.1927364595
  H        15.1413176698       10.6734745972       12.2007481745
  H        12.7467279539       11.7082343897       13.0151832565
  H        10.2837006001        8.8983916944       10.8807481190
  H        12.9669894167        7.5102421590       13.9375865365
  H        15.6272020728        9.2298404740       17.1204737030
  H        17.8304037787        5.8686824959       15.5825849231
  H        15.1058535998        7.9775170181       13.0289861195
  F         2.7317730831       18.6332318122       20.0998585602
  C         2.7308688502       18.2907437967       18.7680087616
  F         1.4069268390       18.0788489399       18.4736635175
  F         3.3592953347       17.0875891252       18.6313574790
  C         3.3389140102       19.3554626296       17.9101294829
  C         4.1818038290       19.0328508629       16.8414025275
  C         4.6938278176       20.0195687176       15.9745007554
  C         4.2781354211       21.3390438005       16.2256282148
  C         3.4391212736       21.6635886024       17.2989698409
  C         2.9640441663       20.6783415496       18.1597974191
  C         2.9234278626       23.0645355296       17.4347925572
  F         2.2997277488       23.2921904137       18.6244121724
  F         3.9023094892       24.0238354705       17.3053740978
  F         1.9924437558       23.2936052002       16.4316822048
  B         5.6121797521       19.6364013716       14.6725331542
  C         6.6486935742       18.4095607930       14.9709289982
  C         7.2656874559       18.2764606955       16.2270324443
  C         8.2434211140       17.3078002764       16.4687669763
  C         8.6456665731       16.4196040608       15.4707298082
  C         8.0500035671       16.5418681653       14.2161504301
  C         7.0834816583       17.5245584510       13.9684971999
  C         8.4236848862       15.5963680481       13.1144515306
  F         7.3129978092       15.0304638080       12.5392078940
  F         9.2159193303       14.5688242261       13.5620238892
  F         9.1081332312       16.2276433961       12.1007926966
  C         8.7837772635       17.1548726791       17.8521434005
  F         8.9101086555       18.3673070322       18.4839282781
  F        10.0144977949       16.5639766874       17.8928673766
  F         7.9539395653       16.3793404044       18.6303296095
  C         6.6343959282       20.8484359982       14.2683725852
  C         7.2151265692       21.6954870599       15.2311829679
  C         8.1646115036       22.6652066533       14.8897275382
  C         8.5900685556       22.8205080096       13.5670998270
  C         8.0393062913       21.9744045144       12.6042343960
  C         7.0862429917       21.0107030183       12.9487661010
  C         8.4039750194       22.1122406856       11.1581985140
  F         8.8235170508       20.9055036217       10.6312995989
  F         9.3802105886       23.0320739935       10.9269958055
  F         7.3247354161       22.5146180858       10.4081349030
  C         8.6821290765       23.5847670834       15.9565613111
  F         9.6015719897       24.4688139556       15.4764487521
  F         7.6876778680       24.3576975592       16.5044240925
  F         9.2705384626       22.8895788357       17.0029664869
  C         4.5419684503       19.2818597853       13.4812556021
  C         4.0523113608       17.9792263806       13.2698043262
  C         3.0835545776       17.6953339058       12.2964095485
  C         2.5594497980       18.7112926525       11.4965177364
  C         3.0182217469       20.0180976368       11.7029476116
  C         3.9795542686       20.2951378258       12.6790630811
  C         2.3989914729       21.1147943411       10.8867170695
  F         2.3720051300       20.7826126301        9.5419089460
  F         1.0899009190       21.3346611515       11.2600806257
  F         3.0363675874       22.3171649770       10.9980075968
  C         2.5088200080       16.3088307512       12.1876481900
  F         1.9323279552       16.0519631310       10.9844186031
  F         3.4285351393       15.3141273391       12.3964641838
  F         1.5223716056       16.1209829146       13.1306255010
  H         4.4371046292       17.9888351619       16.6726428378
  H         4.6093848327       22.1382042726       15.5636549492
  H         2.3005748132       20.9287674851       18.9835255193
  H         6.9805834794       18.9445077923       17.0380470097
  H         9.3845765374       15.6504396573       15.6716644565
  H         6.6578594101       17.5925086735       12.9682164930
  H         6.9169864890       21.6072272313       16.2753337468
  H         9.3109486754       23.5843848721       13.2941894252
  H         6.6840227815       20.3738796703       12.1624405659
  H         4.4300462390       17.1595870346       13.8801342828
  H         1.8062208703       18.4932514164       10.7434017786
  H         4.2984120415       21.3265271627       12.8163713264
  F        15.6186603346        1.2750960971       -0.2930544015
  C        15.6624758386        1.6684363771        1.0284205165
  F        16.9916501063        1.8963057178        1.3185836442
  F        15.0495393223        2.8843059517        1.1015804723
  C        15.0746820490        0.6116346761        1.9255089479
  C        14.2241146000        0.9233022775        2.9927630347
  C        13.7280441246       -0.0721915712        3.8634910048
  C        14.1679417403       -1.3846134762        3.6283856102
  C        15.0054789178       -1.7037845147        2.5555494808
  C        15.4634779611       -0.7129586840        1.6865174532
  C        15.4680076842       -3.1195783018        2.3836035911
  F        16.0486936713       -3.3178030383        1.1713082675
  F        14.4477862913       -4.0414113641        2.4964581767
  F        16.4091362672       -3.4512367954        3.3544656490
  B        12.7860372246        0.2708829422        5.1574018152
  C        11.7367013866        1.4836805123        4.8448230707
  C        11.1268693636        1.5966950479        3.5803107517
  C        10.1465324071        2.5565897517        3.3190270145
  C         9.7319637726        3.4561797869        4.3055649138
  C        10.3178314641        3.3531898640        5.5646818329
  C        11.2916037719        2.3801475339        5.8306656126
  C         9.9539340483        4.3109830822        6.6594954834
  F        11.0922601965        4.8782726412        7.1886735146
  F         9.1362061600        5.3319759337        6.2380882511
  F         9.3074088203        3.6817070796        7.6990852475
  C         9.6231996890        2.7201128825        1.9279366161
  F         9.4967845143        1.5338649832        1.2493928782
  F         8.4025662368        3.3408987444        1.9034978914
  F        10.4693749855        3.4760584877        1.1633809831
  C        11.7828941269       -0.9621247189        5.5501746154
  C        11.2411786386       -1.8368429892        4.5906040533
  C        10.2903344503       -2.8067620637        4.9265390545
  C         9.8250187727       -2.9388968700        6.2379057126
  C        10.3410190221       -2.0709198890        7.1988606367
  C        11.2977209645       -1.1063727389        6.8614175551
  C         9.9458282125       -2.1878187952        8.6396766169
  F         9.5858464608       -0.9740975014        9.1687674692
  F         8.9075280423       -3.0503407973        8.8702297336
  F        11.0139190625       -2.6144488877        9.3929561317
  C         9.7510683296       -3.6985097860        3.8495373393
  F         8.8176079822       -4.5678599388        4.3252459138
  F        10.7196621120       -4.4527316654        3.2285949720
  F         9.1411318709       -2.9678331617        2.8540994248
  C        13.8517077386        0.6101936159        6.3541230618
  C        14.3436480872        1.9089417713        6.5648938909
  C        15.3256593423        2.1851578753        7.5260467871
  C        15.8693161720        1.1707664958        8.3105895293
  C        15.4108820587       -0.1344304540        8.1006789977
  C        14.4271866807       -0.4067449646        7.1441686117
  C        16.0230174163       -1.2295038204        8.9223435584
  F        16.0412391555       -0.8758476409       10.2621095012
  F        17.3295826687       -1.4916844271        8.5809377912
  F        15.3721200209       -2.4177022669        8.8047796144
  C        15.8738049993        3.5758216196        7.6216927125
  F        16.4771256440        3.8575592401        8.8091231956
  F        14.9136956964        4.5287670701        7.4081679347
  F        16.8297302135        3.7882250570        6.6594069798
  H        13.9433010383        1.9633791613        3.1528390961
  H        13.8488536658       -2.1847512279        4.2952717035
  H        16.1176694930       -0.9622231950        0.8555461994
  H        11.4234344924        0.9210922944        2.7789411920
  H         8.9917581908        4.2211100722        4.0919610998
  H        11.7168695326        2.3324896444        6.8321397817
  H        11.5631958959       -1.7649831210        3.5524350006
  H         9.0949788888       -3.6963955677        6.5036208453
  H        11.6714299266       -0.4481783166        7.6446907125
  H        13.9592897547        2.7327892250        5.9651257254
  H        16.6313898777        1.3890208266        9.0548749789
  H        14.1022912996       -1.4371990075        7.0105634349
  H        10.7953105663       11.7803612148        4.6984555699
  H        11.5939026016       10.0418222058        3.1256434264
     646
 i =      144, E =         0.0035589576
 Rh         3.6483666030        0.2411740692        4.8221590707
  P         5.3917358881        0.6387120425        6.2899409006
  C         5.2307740072       -0.3100561479        7.8717864170
  C         4.8425479493       -1.7857024580        7.6571655502
  C         4.5347962184       -2.4485772334        9.0103031976
  C         5.7179369725       -2.3325294514        9.9818468732
  C         6.1835773354       -0.8776205535       10.1426133977
  C         6.4592102245       -0.2010989193        8.7885621140
  C         5.6693972297        2.4063520838        6.8107233835
  C         4.6332361581        2.8249325570        7.8773030065
  C         4.6405169557        4.3336014243        8.1722465360
  C         4.5477714725        5.1667741922        6.8911678154
  C         5.6901952035        4.8042813310        5.9397799255
  C         5.6305765785        3.3175780551        5.5644709523
  C         7.0048781494        0.0973877551        5.5222958959
  C         6.9770712646        0.2338899704        3.9906214003
  P         5.3140443247       -0.2373716817        3.2957136705
  C         5.4790338654       -2.0237570779        2.7938061760
  C         4.3958564220       -2.4029102126        1.7637943240
  C         4.3857135125       -3.9060945721        1.4644490832
  C         4.2502646139       -4.7425416638        2.7387259147
  C         5.3901946802       -4.4215929044        3.7098344730
  C         5.4213870737       -2.9225806585        4.0502385114
  C         5.1209549613        0.7000366847        1.7102834417
  C         4.8373468445        2.1991637970        1.9275868443
  C         4.4299113652        2.8443064662        0.5920404794
  C         5.5064465769        2.6461835257       -0.4864784962
  C         5.8904327103        1.1661147471       -0.6469579485
  C         6.2624494717        0.5117652095        0.6968473160
  C         1.8884891065        0.3176409738        3.4716629246
  C         1.9123058607       -0.9296485420        4.1012612923
  C         1.0798070919       -0.7923137207        5.3905380525
  C         1.9501092710        0.1414736009        6.2591919671
  C         1.9252432573        1.3884050619        5.6322286707
  C         1.0396187947        1.2358687040        4.3790823312
  C        -0.0025529979        0.2105556236        4.9047457081
  H         4.3790611856        0.1829271197        8.3695869892
  H         5.6680695207       -2.3213105385        7.1646350598
  H         3.9761356519       -1.8577097237        6.9822937438
  H         4.2647245332       -3.5035648994        8.8611034815
  H         3.6501984174       -1.9626992806        9.4475357936
  H         5.4401017997       -2.7482661202       10.9612913020
  H         6.5533284228       -2.9449543569        9.6162139024
  H         7.0924617550       -0.8307577810       10.7605873323
  H         5.4052600532       -0.3058698583       10.6720681320
  H         6.7490851029        0.8461051117        8.9454493628
  H         7.3135263712       -0.6895926738        8.3023248063
  H         6.6771004444        2.4612864106        7.2539169148
  H         4.8187472325        2.2754152156        8.8099859204
  H         3.6272929370        2.5310436899        7.5462598588
  H         5.5630953200        4.6011820769        8.7070370227
  H         3.8086171557        4.5674636245        8.8523730429
  H         4.5642516078        6.2372993041        7.1383210789
  H         3.5852738883        4.9851310230        6.3901285560
  H         6.6526008982        5.0294644627        6.4194949062
  H         5.6506755463        5.4081909887        5.0238835159
  H         6.4598368605        3.0662255093        4.8869717918
  H         4.7022301224        3.1190569910        5.0039598706
  H         7.8424418501        0.6604586540        5.9586358403
  H         7.1455934407       -0.9541593146        5.8104167598
  H         7.7697659520       -0.3656568882        3.5201714524
  H         7.1478297592        1.2786475495        3.6954991932
  H         6.4688189639       -2.1381487876        2.3223995524
  H         4.5476439034       -1.8462407825        0.8291019460
  H         3.4057103431       -2.1053567414        2.1346011348
  H         5.3179035992       -4.1783412530        0.9486969763
  H         3.5656337248       -4.1249115376        0.7687558715
  H         4.2389424155       -5.8114481291        2.4848293909
  H         3.2819934453       -4.5371119130        3.2192857475
  H         5.2839543971       -4.9943242583        4.6433779650
  H         6.3496092592       -4.7225820898        3.2642386804
  H         6.2799529987       -2.7102078417        4.7034537925
  H         4.5208232835       -2.6605937139        4.6290506900
  H         4.2056276030        0.2577985363        1.2820712614
  H         5.7378311043        2.6970542709        2.3173484157
  H         4.0491286645        2.3343942754        2.6841213351
  H         4.2267297641        3.9145470299        0.7367298744
  H         3.4842873933        2.3932156308        0.2556277770
  H         6.4007006014        3.2288391628       -0.2211882498
  H         5.1513330213        3.0485407608       -1.4465562872
  H         6.7321859321        1.0654253996       -1.3478977986
  H         5.0437225131        0.6159872152       -1.0879776272
  H         7.1756972731        0.9760656455        1.0904063487
  H         6.4912895508       -0.5509420582        0.5457650243
  H         2.1242736221        0.5305979480        2.4325117675
  H         2.1788606324       -1.8852310956        3.6590282497
  H         0.7609617306       -1.7272889506        5.8575979785
  H         2.2417652683       -0.0715049649        7.2834797362
  H         2.2046447913        2.3454386575        6.0628542159
  H         0.6814289911        2.1650418886        3.9285261683
  H        -0.6206870614        0.6036431713        5.7183063357
  H        -0.6351971934       -0.1995606769        4.1105781013
 Rh        14.7198265602       19.6378723220       14.9739903060
  P        12.9617162637       19.2096174438       13.5242078308
  C        13.1357833474       20.1908331585       11.9595107773
  C        13.5106160128       21.6636075504       12.2123997138
  C        13.8471571602       22.3632941187       10.8852846779
  C        12.6868783482       22.2628560191        9.8852327893
  C        12.2468453176       20.8063268236        9.6756391961
  C        11.9367847128       20.0931570887       11.0045693479
  C        12.6730550104       17.4542552399       12.9674144034
  C        13.6888358055       17.0368744833       11.8825363831
  C        13.6141155225       15.5364573725       11.5592206337
  C        13.7786396447       14.6924107641       12.8259114300
  C        12.6809703316       15.0368160110       13.8368883643
  C        12.7121881649       16.5288428818       14.2043482637
  C        11.3423936701       19.7147473990       14.3148954917
  C        11.4072748534       19.6627517989       15.8524356298
  P        13.0793025600       20.1660083311       16.5051948684
  C        12.9075618965       21.9623973263       16.9587917419
  C        13.9834421416       22.4049409785       17.9726499827
  C        13.9882787798       23.9270578792       18.1842834364
  C        14.0949739843       24.6935833257       16.8626261888
  C        12.9499210071       24.3052113964       15.9248654760
  C        12.9683651733       22.7946055747       15.6590990455
  C        13.3282169986       19.2286461438       18.0836147184
  C        13.6061888462       17.7376768742       17.8062276401
  C        14.0282631664       17.0234693535       19.0987869258
  C        12.9681901170       17.1834244722       20.1991929777
  C        12.6212792288       18.6619880242       20.4414817037
  C        12.2253053906       19.3910892411       19.1419592888
  C        16.4551719963       19.6218143287       16.3504523327
  C        16.4707270043       20.8183114207       15.6271673926
  C        17.3210304020       20.5617062128       14.3673850106
  C        16.4400264368       19.5861975560       13.5562391575
  C        16.4202568868       18.3908681627       14.2765923183
  C        17.2918921543       18.6157664480       15.5296364138
  C        18.3701438207       19.5733667762       14.9486964326
  H        14.0044297594       19.7120829934       11.4766899899
  H        12.6686433706       22.1825272004       12.6944622393
  H        14.3593415955       21.7236804190       12.9110903601
  H        14.1032744392       23.4157439033       11.0713586852
  H        14.7475628530       21.8979185010       10.4569893031
  H        12.9785799087       22.7105174408        8.9235228381
  H        11.8352342600       22.8529900583       10.2519194065
  H        11.3590728407       20.7635025965        9.0274300261
  H        13.0496208638       20.2587670722        9.1571279168
  H        11.6649196826       19.0474263140       10.8121279055
  H        11.0611493280       20.5592274512       11.4747586708
  H        11.6620402849       17.4186163606       12.5294589731
  H        13.5152609406       17.6171942458       10.9663238398
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 Rh        12.6571843656        9.8060175044        4.6977727181
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  F        11.2165611639        9.0173844329       20.2226655795
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  C        11.4391313281       11.0395693929       18.2026096685
  C        11.8888083798       12.0127942211       17.3105254182
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  C        13.2427222239       10.3739031439       16.0774707999
  C        12.7620112400        9.4015996917       16.9803790052
  B        14.1541999158        9.9819606679       14.7700372436
  C        15.1600554413       11.1871947077       14.3001471123
  C        15.7613833257       12.0579958092       15.2243074632
  C        16.7006567927       13.0218079636       14.8367965241
  C        17.0861342094       13.1511377255       13.4975964377
  C        16.5062086553       12.2865282506       12.5612252416
  C        15.5686231075       11.3266316839       12.9599905170
  C        16.8420653700       12.3973687319       11.0967834227
  F        17.8573979118       13.2699113400       10.8525879931
  F        15.7544318010       12.8159689470       10.3460474377
  F        17.2354168847       11.1907362786       10.5612010829
  C        17.2386010040       13.9424433631       15.8966082413
  F        16.2460377205       14.6728469294       16.4976716820
  F        18.1483039319       14.8385291006       15.4057318647
  F        17.8385893806       13.2541711485       16.9334489321
  C        13.0475132985        9.6456019596       13.5993789435
  C        12.4462365930       10.6746740781       12.8453534419
  C        11.4659532987       10.4124700516       11.8790257557
  C        11.0441950439        9.1068112039       11.6269894247
  C        11.6011893876        8.0759008455       12.3853592621
  C        12.5733627160        8.3413882642       13.3553882497
  C        11.0270397905        6.6993515523       12.2313104029
  F        10.4972417267        6.4947101227       10.9942522608
  F        11.9227012384        5.6913781117       12.4653552553
  F        10.0060758278        6.4973599395       13.1314712316
  C        10.9017095480       11.5266346268       11.0438305311
  F         9.7392075078       11.1775324369       10.4113659268
  F        10.6239763694       12.6600585034       11.7441319165
  F        11.7670842701       11.8877091960       10.0449193735
  C        15.1901347322        8.7406419915       15.0507024468
  C        15.8550837617        8.5665371800       16.2865524769
  C        16.8097109454        7.5593163173       16.4637223214
  C        17.1176710816        6.6707586062       15.4296528243
  C        16.4816766664        6.8322354791       14.2065718184
  C        15.5559600662        7.8638281663       14.0141109567
  C        17.4840826407        7.2671108799       17.7704272742
  F        17.6134155028        8.3288218881       18.6220570162
  F        16.7936998403        6.3147025391       18.4804429123
  F        18.7591018964        6.7893033977       17.5408111311
  C        11.3920292517       13.4254544234       17.4306698508
  F        10.7857654253       13.6684308166       18.6260907886
  F        10.4814067010       13.7338749400       16.4321142797
  F        12.4023131483       14.3404479228       17.3058465841
  F        17.6307096512        4.8720031067       13.4875519305
  F        17.3766690380        6.5267642991       12.0281948296
  F        15.6566923562        5.2690000832       12.6112965128
  C        16.7876554466        5.8815249819       13.0907447954
  H        10.7493124311       11.2953036663       19.0019468984
  H        13.0884531678       12.4722790645       15.5912709993
  H        13.0676270481        8.3642241344       16.8587252523
  H        15.4890742709       11.9911238939       16.2766605422
  H        17.7987779450       13.9114733475       13.1927291348
  H        15.1414500123       10.6733521161       12.2008004320
  H        12.7467061089       11.7081544958       13.0151564045
  H        10.2839833347        8.8983617922       10.8805486305
  H        12.9666731994        7.5102710153       13.9379055475
  H        15.6271030413        9.2298025092       17.1205146734
  H        17.8306647255        5.8688293754       15.5824811911
  H        15.1055753875        7.9773021008       13.0290291595
  F         2.7318188864       18.6332375463       20.0997417874
  C         2.7306481821       18.2907394745       18.7680502249
  F         1.4069904738       18.0789014778       18.4736728077
  F         3.3593985339       17.0875276617       18.6313406077
  C         3.3388398275       19.3554527034       17.9100904972
  C         4.1817085726       19.0327923809       16.8414733531
  C         4.6939685580       20.0194844830       15.9744167028
  C         4.2782962097       21.3391293667       16.2256521916
  C         3.4389497226       21.6637512562       17.2991264858
  C         2.9638586869       20.6783111931       18.1597583975
  C         2.9236619291       23.0642783789       17.4346577483
  F         2.2994973890       23.2922419137       18.6246875326
  F         3.9023644190       24.0239287835       17.3053581763
  F         1.9922682224       23.2937014572       16.4315605699
  B         5.6121225408       19.6363435589       14.6726572505
  C         6.6486225070       18.4093885092       14.9710066439
  C         7.2656365697       18.2762394461       16.2270891090
  C         8.2433761449       17.3077893992       16.4687035901
  C         8.6458120373       16.4196577236       15.4707558220
  C         8.0499848552       16.5418540725       14.2161546142
  C         7.0833656845       17.5243996707       13.9685165766
  C         8.4236542349       15.5963549628       13.1144026198
  F         7.3130566398       15.0305099252       12.5392790544
  F         9.2159392683       14.5687947454       13.5620317569
  F         9.1081196681       16.2276408287       12.1008322447
  C         8.7838244486       17.1548721991       17.8522046924
  F         8.9100690203       18.3672704069       18.4838775232
  F        10.0144983446       16.5639565876       17.8928416375
  F         7.9539211794       16.3793414566       18.6303259089
  C         6.6345035763       20.8483185803       14.2684000031
  C         7.2152582544       21.6953115964       15.2312772839
  C         8.1646326106       22.6651584206       14.8897577812
  C         8.5899631107       22.8205127030       13.5670361353
  C         8.0392965363       21.9743842375       12.6042801689
  C         7.0863345949       21.0106203077       12.9487729116
  C         8.4040271837       22.1122272928       11.1581514566
  F         8.8234901934       20.9055158122       10.6313436964
  F         9.3801474556       23.0320233030       10.9270274833
  F         7.3247345398       22.5146178389       10.4081464183
  C         8.6821453312       23.5847478731       15.9566133197
  F         9.6015839148       24.4688297652       15.4764294177
  F         7.6876810784       24.3576796464       16.5044051108
  F         9.2705213867       22.8895760361       17.0029525918
  C         4.5418973527       19.2819233031       13.4811972164
  C         4.0522897879       17.9791694609       13.2698297338
  C         3.0835457197       17.6953575497       12.2963723871
  C         2.5594489193       18.7112491051       11.4964814957
  C         3.0183243767       20.0180600643       11.7030220410
  C         3.9795156272       20.2949923635       12.6790777805
  C         2.3989603529       21.1150244576       10.8867723475
  F         2.3720111155       20.7825894345        9.5419017353
  F         1.0899825175       21.3346370821       11.2600459091
  F         3.0362562908       22.3169555862       10.9979974523
  C         2.5088694446       16.3088340576       12.1876691108
  F         1.9323010217       16.0519433119       10.9843871873
  F         3.4285105555       15.3141557438       12.3964551723
  F         1.5223465086       16.1209649283       13.1306398497
  H         4.4370501827       17.9888394717       16.6726172244
  H         4.6096735469       22.1382618258       15.5638587933
  H         2.3003401205       20.9287163818       18.9832795160
  H         6.9803679115       18.9443087628       17.0382000980
  H         9.3848333772       15.6506499009       15.6715636432
  H         6.6576619602       17.5922776333       12.9683383996
  H         6.9172525266       21.6069382769       16.2754106243
  H         9.3107278137       23.5845429486       13.2941507637
  H         6.6840959070       20.3737113154       12.1624514687
  H         4.4299966198       17.1595530047       13.8801695954
  H         1.8062559928       18.4932629439       10.7434304662
  H         4.2984227356       21.3265800261       12.8164403697
  F        15.6187023915        1.2750206000       -0.2930938390
  C        15.6624948095        1.6683792307        1.0284321329
  F        16.9916721810        1.8962726474        1.3185990545
  F        15.0494685824        2.8844149667        1.1016399038
  C        15.0747536840        0.6116282875        1.9254517277
  C        14.2239554488        0.9232713796        2.9926175418
  C        13.7278404753       -0.0721913767        3.8633580327
  C        14.1676806312       -1.3847115572        3.6282198117
  C        15.0055118262       -1.7037894377        2.5554629589
  C        15.4636641300       -0.7129425652        1.6866754979
  C        15.4679760948       -3.1195972125        2.3836070649
  F        16.0486894672       -3.3177969309        1.1713175944
  F        14.4477994493       -4.0413826263        2.4964443412
  F        16.4091238738       -3.4512256397        3.3544434858
  B        12.7859699044        0.2709605321        5.1572823840
  C        11.7367341837        1.4837969134        4.8447854851
  C        11.1269200920        1.5967977745        3.5802108966
  C        10.1464591967        2.5567432548        3.3189416335
  C         9.7319330467        3.4562569940        4.3055494744
  C        10.3178078948        3.3532556152        5.5646278749
  C        11.2916447470        2.3802144399        5.8306524851
  C         9.9537645194        4.3109458680        6.6593599016
  F        11.0924551396        4.8784236768        7.1888425734
  F         9.1362110322        5.3319886107        6.2380987723
  F         9.3073962341        3.6816766737        7.6991468857
  C         9.6231444703        2.7201196935        1.9280106593
  F         9.4967643821        1.5338878724        1.2493675918
  F         8.4026305456        3.3408556355        1.9034647895
  F        10.4693991792        3.4761060546        1.1633132245
  C        11.7826896209       -0.9619858318        5.5501006610
  C        11.2409114436       -1.8365801862        4.5904985558
  C        10.2902267871       -2.8067253346        4.9265653253
  C         9.8251631576       -2.9389367107        6.2378983333
  C        10.3409797069       -2.0709546104        7.1988370785
  C        11.2976383141       -1.1062304994        6.8613715850
  C         9.9458424836       -2.1877975754        8.6396854981
  F         9.5858583685       -0.9741345819        9.1687462702
  F         8.9075433670       -3.0503340809        8.8702260451
  F        11.0139109332       -2.6144430360        9.3929482415
  C         9.7510341359       -3.6985128551        3.8495151746
  F         8.8176252791       -4.5678408517        4.3252465522
  F        10.7196504557       -4.4527110917        3.2286124514
  F         9.1411400885       -2.9678382416        2.8541035172
  C        13.8516612795        0.6100239641        6.3540084297
  C        14.3438002665        1.9088977742        6.5649172125
  C        15.3257044260        2.1853744347        7.5258642198
  C        15.8694428925        1.1707449824        8.3104725842
  C        15.4107665444       -0.1345331288        8.1004693778
  C        14.4271113789       -0.4067825586        7.1440924740
  C        16.0231025995       -1.2295323996        8.9224799189
  F        16.0411688415       -0.8758104541       10.2620103167
  F        17.3296045125       -1.4916534184        8.5808081079
  F        15.3720308347       -2.4177399451        8.8046953020
  C        15.8734611122        3.5757692885        7.6218045796
  F        16.4770659412        3.8575928530        8.8089872299
  F        14.9140708190        4.5285158321        7.4082679646
  F        16.8298689104        3.7883600306        6.6592804640
  H        13.9430168744        1.9633546370        3.1525779893
  H        13.8483738882       -2.1848213489        4.2948782441
  H        16.1181635261       -0.9621497869        0.8558812351
  H        11.4234948753        0.9212812051        2.7788258889
  H         8.9917193217        4.2211731810        4.0919406089
  H        11.7168688167        2.3325539246        6.8320493879
  H        11.5626733736       -1.7645433415        3.5522789074
  H         9.0952501832       -3.6966342038        6.5036894239
  H        11.6712947765       -0.4480363018        7.6446076173
  H        13.9592833674        2.7328897206        5.9649065164
  H        16.6315742020        1.3889586351        9.0545731050
  H        14.1021608881       -1.4370846485        7.0105801795
  H        10.7948961448       11.7808017575        4.6964073873
  H        11.5934866670       10.0407711112        3.1253796997
     646
 i =      145, E =         0.0004124714
 Rh         3.6485201226        0.2412335056        4.8222612578
  P         5.3918160131        0.6387200042        6.2900187303
  C         5.2307816032       -0.3101785373        7.8718143756
  C         4.8426687899       -1.7858917220        7.6568868459
  C         4.5348295727       -2.4488350605        9.0099999946
  C         5.7178524409       -2.3329497339        9.9815645016
  C         6.1834072937       -0.8781262925       10.1425785595
  C         6.4591380402       -0.2012869304        8.7887362151
  C         5.6694377030        2.4063702147        6.8108202950
  C         4.6331357244        2.8250006150        7.8773019104
  C         4.6408691908        4.3337133115        8.1724107219
  C         4.5479404213        5.1668686973        6.8912527257
  C         5.6901070761        4.8042694742        5.9395908223
  C         5.6304851703        3.3175236217        5.5645541219
  C         7.0049787969        0.0975080602        5.5223198012
  C         6.9771997609        0.2339300350        3.9906484610
  P         5.3141340140       -0.2373827194        3.2957818562
  C         5.4795091257       -2.0237720841        2.7938261737
  C         4.3962135304       -2.4029349791        1.7638376987
  C         4.3859513783       -3.9062251782        1.4646257056
  C         4.2503966298       -4.7425205530        2.7391089036
  C         5.3906165855       -4.4215927471        3.7099829407
  C         5.4216466120       -2.9224784503        4.0504771473
  C         5.1207517064        0.6999119511        1.7103303308
  C         4.8370640581        2.1990199763        1.9276245289
  C         4.4299872461        2.8443552992        0.5921667082
  C         5.5066686958        2.6463247863       -0.4860280402
  C         5.8902674212        1.1663033160       -0.6469157005
  C         6.2621502913        0.5116148979        0.6967724880
  C         1.8886842989        0.3179455555        3.4712809318
  C         1.9124509954       -0.9300113268        4.1014384508
  C         1.0798422144       -0.7921090397        5.3908341064
  C         1.9502550908        0.1421491290        6.2589981428
  C         1.9254798988        1.3884085129        5.6321492642
  C         1.0397733166        1.2362040081        4.3789546462
  C        -0.0024060666        0.2109179397        4.9048148210
  H         4.3790247687        0.1826191181        8.3695108823
  H         5.6684274649       -2.3213769599        7.1645501957
  H         3.9765272654       -1.8578907412        6.9819130762
  H         4.2646690599       -3.5038785053        8.8606102627
  H         3.6501766453       -1.9630146126        9.4471568024
  H         5.4399773962       -2.7489055180       10.9609987492
  H         6.5532838581       -2.9453797213        9.6159061137
  H         7.0924018520       -0.8313390221       10.7606522740
  H         5.4051468136       -0.3064836748       10.6722018425
  H         6.7488234781        0.8459507670        8.9458510973
  H         7.3135704608       -0.6895355158        8.3024740191
  H         6.6770314278        2.4613475253        7.2541507210
  H         4.8182464311        2.2753479286        8.8098799638
  H         3.6271786375        2.5316085013        7.5459689698
  H         5.5638730589        4.6009562033        8.7067784674
  H         3.8094763567        4.5677646885        8.8527350005
  H         4.5646599655        6.2374094765        7.1384412881
  H         3.5852530099        4.9853646279        6.3906061006
  H         6.6525422808        5.0298353093        6.4186940214
  H         5.6499320236        5.4079766863        5.0234103813
  H         6.4600599434        3.0661590211        4.8870832559
  H         4.7024001731        3.1187589235        5.0039170614
  H         7.8425578294        0.6606609436        5.9586705939
  H         7.1457941626       -0.9540006588        5.8104440573
  H         7.7698572980       -0.3654888561        3.5202346883
  H         7.1479039830        1.2788275131        3.6954925436
  H         6.4691466359       -2.1380493523        2.3226697285
  H         4.5484759441       -1.8465322537        0.8289662016
  H         3.4062162137       -2.1050773010        2.1342667480
  H         5.3178782261       -4.1787051341        0.9489008397
  H         3.5656501995       -4.1249637265        0.7691284089
  H         4.2389045888       -5.8113497337        2.4853493313
  H         3.2822928409       -4.5368064959        3.2197920250
  H         5.2845625641       -4.9942696777        4.6435112452
  H         6.3498681734       -4.7224484810        3.2641768511
  H         6.2802140608       -2.7101000132        4.7035881533
  H         4.5211613277       -2.6606006193        4.6291021166
  H         4.2053866578        0.2575843348        1.2822754292
  H         5.7373559351        2.6969207177        2.3177838267
  H         4.0485597195        2.3340706044        2.6840819850
  H         4.2266985019        3.9146313471        0.7370172866
  H         3.4843190987        2.3933665573        0.2554024027
  H         6.4010725345        3.2287023299       -0.2203061902
  H         5.1520070300        3.0492141870       -1.4462009850
  H         6.7319957762        1.0654429775       -1.3478780106
  H         5.0433722569        0.6164801403       -1.0880502501
  H         7.1755339250        0.9754791996        1.0903331804
  H         6.4906008024       -0.5512121134        0.5454793304
  H         2.1243943061        0.5304228667        2.4326672503
  H         2.1788618073       -1.8850252008        3.6593761076
  H         0.7610492983       -1.7267714892        5.8578447807
  H         2.2419292908       -0.0709727323        7.2836301207
  H         2.2049833704        2.3459027460        6.0625402404
  H         0.6817248114        2.1651403641        3.9282813458
  H        -0.6204541493        0.6041549890        5.7183195447
  H        -0.6351219672       -0.1992824412        4.1107041028
 Rh        14.7198743192       19.6379122929       14.9739463683
  P        12.9618901810       19.2097203546       13.5241285599
  C        13.1359948949       20.1908071484       11.9593514483
  C        13.5108295777       21.6636769989       12.2125294816
  C        13.8472144143       22.3634566593       10.8852347253
  C        12.6867634144       22.2630865748        9.8852830529
  C        12.2467089827       20.8065188576        9.6756959696
  C        11.9367874459       20.0932807965       11.0046465963
  C        12.6733413656       17.4542498252       12.9675659543
  C        13.6892055614       17.0369179743       11.8827174254
  C        13.6143955043       15.5364654981       11.5592712704
  C        13.7784732149       14.6921754765       12.8258421119
  C        12.6810049328       15.0368573736       13.8369526419
  C        12.7124957114       16.5288294334       14.2044544509
  C        11.3425777399       19.7150677916       14.3145988652
  C        11.4072283560       19.6626632214       15.8521594167
  P        13.0792140726       20.1659394276       16.5050433573
  C        12.9071306608       21.9622603896       16.9588822836
  C        13.9833699805       22.4045524500       17.9725356352
  C        13.9882478007       23.9265592175       18.1846117655
  C        14.0952077144       24.6933071904       16.8630195400
  C        12.9498391784       24.3054068864       15.9252806116
  C        12.9678437979       22.7947171022       15.6592356657
  C        13.3281051463       19.2286222556       18.0834484396
  C        13.6062423472       17.7376911533       17.8063278874
  C        14.0280024202       17.0235321990       19.0988591216
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 Rh        12.6570831985        9.8060568608        4.6977979599
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  H         3.2717921745        9.2052969121        7.6765170853
  H         5.5702636951        8.1749053408        6.7385267909
  H         8.0489826131       10.8354784276        9.0336220246
  H         5.4885188974       12.3839669917        5.9330071422
  H         2.9113123089       10.6180069768        2.7192589719
  H         0.5402729425       13.9410618452        4.0769448022
  H         3.2213455643       11.9507703556        6.7935806150
  F         9.9827616090        8.3886658744       18.4854964095
  C        11.2757855774        8.6560728669       18.8870556459
  F        11.9352644857        7.4691074302       18.8445399518
  F        11.2165311927        9.0173831102       20.2227435901
  C        11.8822229487        9.7245868104       18.0214325586
  C        11.4392070393       11.0393551610       18.2026942257
  C        11.8887222587       12.0129862859       17.3106158196
  C        12.7688799361       11.6833787150       16.2709460631
  C        13.2425839621       10.3739480882       16.0775527458
  C        12.7618607952        9.4017257201       16.9803853072
  B        14.1543750003        9.9819261329       14.7700756112
  C        15.1599862613       11.1871068790       14.3000467536
  C        15.7613203571       12.0580315420       15.2244038114
  C        16.7006677360       13.0218508398       14.8368236472
  C        17.0861177356       13.1510882561       13.4975247072
  C        16.5062303495       12.2865250417       12.5611482933
  C        15.5687056267       11.3266768649       12.9601359281
  C        16.8419672822       12.3972115063       11.0970650390
  F        17.8576272246       13.2701237290       10.8524639840
  F        15.7543379414       12.8160360471       10.3459136962
  F        17.2354282702       11.1906753152       10.5610990575
  C        17.2386074648       13.9424996679       15.8965996963
  F        16.2460850813       14.6728130022       16.4976302355
  F        18.1482177769       14.8384546364       15.4057692983
  F        17.8385815933       13.2541802899       16.9334379212
  C        13.0470349812        9.6451660647       13.5990690946
  C        12.4464583574       10.6743404610       12.8456293567
  C        11.4658451863       10.4125389202       11.8788614107
  C        11.0441693315        9.1068329337       11.6268440411
  C        11.6012195842        8.0757669065       12.3854565532
  C        12.5734871612        8.3421399517       13.3555628307
  C        11.0270187498        6.6993672507       12.2314211060
  F        10.4970484713        6.4947640468       10.9939174351
  F        11.9228616445        5.6913054262       12.4654717874
  F        10.0060440623        6.4974509043       13.1315529232
  C        10.9015015276       11.5269438509       11.0437679309
  F         9.7394489085       11.1776010430       10.4115619021
  F        10.6241628147       12.6596232419       11.7439011328
  F        11.7669467965       11.8876712450       10.0451570380
  C        15.1896539259        8.7411208352       15.0508410033
  C        15.8553785949        8.5663146215       16.2869256363
  C        16.8096917978        7.5591663965       16.4633295884
  C        17.1174912670        6.6712482666       15.4299370455
  C        16.4816748475        6.8322932712       14.2067230097
  C        15.5559430560        7.8633655671       14.0134101466
  C        17.4840037903        7.2669822754       17.7699982679
  F        17.6135175430        8.3292924721       18.6225442489
  F        16.7935321573        6.3144782676       18.4806419424
  F        18.7592202943        6.7892631916       17.5408119114
  C        11.3919917000       13.4254482931       17.4306891565
  F        10.7858307557       13.6684220252       18.6260006327
  F        10.4814629698       13.7338600055       16.4321597512
  F        12.4022949915       14.3404399478       17.3058593056
  F        17.6303978690        4.8723753419       13.4874688367
  F        17.3766086561        6.5267188586       12.0283073168
  F        15.6570042240        5.2691919938       12.6114877418
  C        16.7876755773        5.8811908450       13.0905361202
  H        10.7494228046       11.2953444845       19.0020658635
  H        13.0884308175       12.4722689448       15.5913016693
  H        13.0674962148        8.3640795220       16.8585931434
  H        15.4889717531       11.9912075715       16.2765873047
  H        17.7987680172       13.9114387144       13.1927363315
  H        15.1414798615       10.6732015794       12.2007456208
  H        12.7467200644       11.7083410392       13.0151370897
  H        10.2841422778        8.8983532824       10.8804061958
  H        12.9664870094        7.5101732543       13.9381411612
  H        15.6270108566        9.2297699244       17.1204520557
  H        17.8309333566        5.8687956232       15.5824165320
  H        15.1055006398        7.9771748095       13.0293539292
  F         2.7317440552       18.6332405929       20.0999191780
  C         2.7308463048       18.2906909164       18.7679749870
  F         1.4068261387       18.0788028784       18.4736596612
  F         3.3592107967       17.0876712879       18.6313658612
  C         3.3388329610       19.3555308407       17.9099543423
  C         4.1817795400       19.0337317921       16.8411799593
  C         4.6934431180       20.0195003637       15.9751491067
  C         4.2788796417       21.3386150022       16.2251562269
  C         3.4389318474       21.6641295112       17.2990657863
  C         2.9635379404       20.6777643240       18.1601162429
  C         2.9231141918       23.0648317604       17.4350425423
  F         2.3001229879       23.2919769877       18.6238808204
  F         3.9022064435       24.0236550547       17.3054004454
  F         1.9926899804       23.2934451468       16.4318557697
  B         5.6122466161       19.6362583853       14.6725045443
  C         6.6484826073       18.4093927399       14.9711115998
  C         7.2656787918       18.2760123674       16.2271120407
  C         8.2433562283       17.3077619520       16.4686465388
  C         8.6458122392       16.4198582082       15.4709184208
  C         8.0501735710       16.5415468744       14.2159905246
  C         7.0831274574       17.5244444965       13.9684248657
  C         8.4236762080       15.5965115647       13.1146606899
  F         7.3128858613       15.0303621581       12.5390977165
  F         9.2159434986       14.5687806363       13.5620146880
  F         9.1081932606       16.2276619470       12.1007119053
  C         8.7837698270       17.1547945440       17.8520848009
  F         8.9101323241       18.3673876784       18.4839950599
  F        10.0145480347       16.5639606148       17.8929017247
  F         7.9539275565       16.3793218807       18.6303652366
  C         6.6344823991       20.8481453554       14.2684037205
  C         7.2152375823       21.6951349713       15.2315327219
  C         8.1647699512       22.6652953681       14.8898872673
  C         8.5899606670       22.8205643117       13.5668873747
  C         8.0392100899       21.9742845062       12.6043340896
  C         7.0864725452       21.0106354817       12.9486903326
  C         8.4039086334       22.1121850345       11.1582739790
  F         8.8235344697       20.9054516905       10.6312690231
  F         9.3802940112       23.0321578181       10.9269536368
  F         7.3247108318       22.5146239685       10.4081076875
  C         8.6821043615       23.5846429645       15.9564819977
  F         9.6015800872       24.4688215811       15.4764583391
  F         7.6876518293       24.3577326945       16.5044523904
  F         9.2705620615       22.8895729755       17.0030059666
  C         4.5420766328       19.2818672172       13.4814469889
  C         4.0525711817       17.9788132313       13.2702341004
  C         3.0833364390       17.6949617290       12.2962456332
  C         2.5595398924       18.7118420331       11.4964171139
  C         3.0184439277       20.0177882971       11.7032102202
  C         3.9791755512       20.2951697501       12.6786840770
  C         2.3989381932       21.1146010201       10.8867219815
  F         2.3719948161       20.7826291298        9.5418941796
  F         1.0898233125       21.3346900429       11.2601653143
  F         3.0365253035       22.3174033589       10.9980339147
  C         2.5088620256       16.3089542707       12.1877017617
  F         1.9323282435       16.0519611334       10.9844132196
  F         3.4285562366       15.3140835422       12.3964568899
  F         1.5223993437       16.1209975017       13.1305882426
  H         4.4370944036       17.9883776425       16.6725698805
  H         4.6097761503       22.1382750869       15.5640955198
  H         2.3002476434       20.9287063199       18.9830490584
  H         6.9802209224       18.9441936908       17.0382998170
  H         9.3850449913       15.6507175814       15.6714960345
  H         6.6575687354       17.5921187710       12.9684719671
  H         6.9174524228       21.6067700389       16.2753445870
  H         9.3105507886       23.5846051521       13.2941562135
  H         6.6841428346       20.3736136089       12.1624815035
  H         4.4298339636       17.1597957082       13.8799928523
  H         1.8062083186       18.4932030618       10.7433859610
  H         4.2984399992       21.3265605752       12.8165119911
  F        15.6186410224        1.2751341169       -0.2929735747
  C        15.6625219902        1.6685877564        1.0283303760
  F        16.9915786975        1.8962976962        1.3185622703
  F        15.0496345566        2.8841294437        1.1015655348
  C        15.0746819892        0.6116295038        1.9255478838
  C        14.2238510275        0.9232031710        2.9925479793
  C        13.7278212411       -0.0722781087        3.8631536457
  C        14.1675023688       -1.3845826478        3.6280866164
  C        15.0054491740       -1.7038532325        2.5555324458
  C        15.4638935581       -0.7129323060        1.6866226270
  C        15.4679987890       -3.1195488673        2.3835875698
  F        16.0486984645       -3.3178088014        1.1712900853
  F        14.4477688578       -4.0414097707        2.4964514913
  F        16.4091227308       -3.4512367726        3.3544393229
  B        12.7859205765        0.2709441010        5.1572529971
  C        11.7365368238        1.4840698426        4.8446388482
  C        11.1270997340        1.5968586198        3.5805094242
  C        10.1464711085        2.5567147815        3.3187754601
  C         9.7317730883        3.4564710158        4.3055386622
  C        10.3178294545        3.3533035758        5.5646979570
  C        11.2916789828        2.3800920260        5.8302858440
  C         9.9539709302        4.3111122257        6.6596386371
  F        11.0920897141        4.8781367790        7.1885176769
  F         9.1361984204        5.3319683044        6.2380879979
  F         9.3074628058        3.6817450527        7.6989675151
  C         9.6232424667        2.7201597945        1.9279008243
  F         9.4967858258        1.5338859758        1.2494158384
  F         8.4024676042        3.3409545411        1.9034907094
  F        10.4693547558        3.4760787816        1.1633778763
  C        11.7826047333       -0.9618454733        5.5500140409
  C        11.2406209440       -1.8365392102        4.5904978603
  C        10.2902960984       -2.8065834843        4.9264762281
  C         9.8251526224       -2.9390822699        6.2378784129
  C        10.3410313715       -2.0708677565        7.1989207683
  C        11.2975498069       -1.1061754384        6.8613703886
  C         9.9458644551       -2.1878353801        8.6396035351
  F         9.5858367593       -0.9740532620        9.1687926608
  F         8.9075296070       -3.0503507410        8.8702331854
  F        11.0139441456       -2.6144534410        9.3929670836
  C         9.7510394833       -3.6984717193        3.8495522756
  F         8.8175785132       -4.5678894441        4.3252558105
  F        10.7196787787       -4.4527395548        3.2285874559
  F         9.1411113947       -2.9678189041        2.8540623048
  C        13.8516669052        0.6102583774        6.3538915545
  C        14.3435503638        1.9091747800        6.5645000020
  C        15.3257416292        2.1849170719        7.5259758824
  C        15.8694096456        1.1706783171        8.3102781568
  C        15.4109183546       -0.1343127148        8.1005153216
  C        14.4271221396       -0.4070033684        7.1441373499
  C        16.0229582844       -1.2295432379        8.9221947803
  F        16.0412663539       -0.8758476430       10.2621350327
  F        17.3295804415       -1.4916958870        8.5809942417
  F        15.3721639678       -2.4176786499        8.8048154141
  C        15.8740900461        3.5758233349        7.6215976856
  F        16.4771183035        3.8574964668        8.8091135748
  F        14.9134200463        4.5289726766        7.4080683554
  F        16.8296907523        3.7881648593        6.6594267855
  H        13.9428459422        1.9633405317        3.1524065713
  H        13.8480655010       -2.1849170102        4.2946609367
  H        16.1184336167       -0.9620933052        0.8561374812
  H        11.4235325980        0.9213712743        2.7786872378
  H         8.9917546849        4.2211469607        4.0919455643
  H        11.7169314734        2.3326073600        6.8321815752
  H        11.5623604617       -1.7642601252        3.5521541000
  H         9.0954465146       -3.6967561443        6.5037287614
  H        11.6712059936       -0.4479537827        7.6445468551
  H        13.9594143689        2.7326347208        5.9649857976
  H        16.6316867355        1.3889097029        9.0543901484
  H        14.1020521038       -1.4370841323        7.0105734080
  H        10.7945768203       11.7810362465        4.6950906518
  H        11.5932649863       10.0401067201        3.1251997480
     646
 i =      146, E =         0.0000211449
 Rh         3.6485410858        0.2412259221        4.8222143166
  P         5.3918537442        0.6387301662        6.2900518565
  C         5.2308140083       -0.3102397519        7.8717910868
  C         4.8427680841       -1.7859260833        7.6568594045
  C         4.5348133272       -2.4489551635        9.0098791703
  C         5.7178363292       -2.3331000735        9.9815144877
  C         6.1834243791       -0.8782522083       10.1426095512
  C         6.4591041251       -0.2013298901        8.7887772156
  C         5.6694095422        2.4063741744        6.8108560775
  C         4.6331169725        2.8250560232        7.8772842897
  C         4.6410639022        4.3337202694        8.1723961139
  C         4.5479990155        5.1669035075        6.8913137097
  C         5.6900032698        4.8042899932        5.9394604143
  C         5.6305884454        3.3174890083        5.5645391069
  C         7.0050260549        0.0975539881        5.5223370407
  C         6.9772034047        0.2340260992        3.9906557286
  P         5.3141763734       -0.2373947443        3.2958007262
  C         5.4795102994       -2.0237641927        2.7939061602
  C         4.3964236990       -2.4029644897        1.7637861175
  C         4.3859253589       -3.9062425866        1.4647351814
  C         4.2504803003       -4.7424669104        2.7392034196
  C         5.3906792924       -4.4215476618        3.7100313041
  C         5.4217873278       -2.9224926736        4.0504516005
  C         5.1206974091        0.6998875593        1.7103376155
  C         4.8369496416        2.1989784898        1.9276962631
  C         4.4299398219        2.8443893348        0.5921987439
  C         5.5067610937        2.6464266281       -0.4859711164
  C         5.8902184086        1.1663282810       -0.6469060061
  C         6.2620476169        0.5115270542        0.6967402054
  C         1.8886737508        0.3176498478        3.4716689494
  C         1.9124080588       -0.9294932940        4.1014652559
  C         1.0799191300       -0.7918997924        5.3907619767
  C         1.9503233978        0.1420139962        6.2592485429
  C         1.9255557624        1.3888442194        5.6320327393
  C         1.0398828949        1.2361402730        4.3789158488
  C        -0.0023510673        0.2109966160        4.9047906792
  H         4.3789885429        0.1825495191        8.3695062425
  H         5.6685190842       -2.3213906475        7.1645254161
  H         3.9765892721       -1.8579451287        6.9817723041
  H         4.2646621341       -3.5039379702        8.8604772480
  H         3.6501621868       -1.9630985197        9.4470558737
  H         5.4399465951       -2.7490745377       10.9608911701
  H         6.5532615174       -2.9454899272        9.6158209825
  H         7.0923417866       -0.8315073106       10.7606429984
  H         5.4051064014       -0.3066547470       10.6722397336
  H         6.7487488199        0.8459007890        8.9459659691
  H         7.3135835668       -0.6895213923        8.3025157066
  H         6.6770247690        2.4613673590        7.2542152336
  H         4.8181118401        2.2753147485        8.8098734953
  H         3.6271409118        2.5317602917        7.5458861151
  H         5.5640665917        4.6008889421        8.7066958973
  H         3.8096625458        4.5678644683        8.8528823842
  H         4.5647719025        6.2374340339        7.1384686197
  H         3.5852431698        4.9854309807        6.3907307702
  H         6.6525741351        5.0299436478        6.4184936292
  H         5.6497297784        5.4078893108        5.0233227214
  H         6.4600584852        3.0661575214        4.8871593495
  H         4.7024130132        3.1186745958        5.0038934521
  H         7.8425737310        0.6607093023        5.9586713044
  H         7.1458521733       -0.9539639169        5.8104559710
  H         7.7699108955       -0.3654640990        3.5202362334
  H         7.1479176816        1.2788308466        3.6955034124
  H         6.4693125913       -2.1380338618        2.3227068936
  H         4.5486956328       -1.8466246461        0.8289529839
  H         3.4063001792       -2.1049858254        2.1342014684
  H         5.3179267677       -4.1788187023        0.9489299957
  H         3.5656636984       -4.1249805024        0.7692332750
  H         4.2388901498       -5.8113623998        2.4854900116
  H         3.2823600844       -4.5367171874        3.2199407661
  H         5.2847341775       -4.9942696235        4.6435665862
  H         6.3499720147       -4.7224195548        3.2641478067
  H         6.2803012886       -2.7100646912        4.7036428314
  H         4.5212038414       -2.6605840701        4.6291492913
  H         4.2053243306        0.2575260572        1.2823320687
  H         5.7372257195        2.6968813406        2.3179036628
  H         4.0484351433        2.3339756018        2.6840377440
  H         4.2267015424        3.9146277602        0.7370941763
  H         3.4843643654        2.3934213371        0.2553520222
  H         6.4011532307        3.2286464847       -0.2200625821
  H         5.1522097417        3.0493846954       -1.4460537263
  H         6.7319375427        1.0654544023       -1.3478679337
  H         5.0432855804        0.6166267651       -1.0880627153
  H         7.1755073731        0.9753279093        1.0903214073
  H         6.4904071117       -0.5512623215        0.5454009738
  H         2.1244802849        0.5304307917        2.4324703296
  H         2.1789219185       -1.8852005550        3.6593773799
  H         0.7610327468       -1.7267260287        5.8579879477
  H         2.2419430897       -0.0707821126        7.2835411232
  H         2.2050495023        2.3458979256        6.0624049022
  H         0.6817813591        2.1652387747        3.9281994631
  H        -0.6203995833        0.6043056487        5.7183339529
  H        -0.6350984082       -0.1991984045        4.1107476369
 Rh        14.7199011298       19.6379390967       14.9739286799
  P        12.9619340407       19.2097351112       13.5241017027
  C        13.1360100097       20.1908573578       11.9593591676
  C        13.5108292235       21.6636703056       12.2124437773
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  C         2.6306677253       11.2890315724        3.5293146729
  C         1.6672104804       12.2669694890        3.2884056045
  C         1.2697602899       13.1641723896        4.2809906691
  C         1.8563377140       13.0319711989        5.5382822613
  C         2.8043104685       12.0300957034        5.7901468682
  C         1.1058171014       12.3798182390        1.9155445526
  F         1.0154267347       11.1552548154        1.3118143622
  F         1.8933443281       13.1555646500        1.0974325079
  F        -0.1575566123       12.9027121297        1.9035679698
  C         6.8215908364        6.4135344865        2.2179619695
  F         7.6152706265        6.2390518998        1.1139281843
  F         7.4984920891        5.8848298708        3.2978901147
  F         5.7122484535        5.6252389772        2.0530729221
  F         0.7126454815       15.0294966813        6.2355311976
  F         0.8948158343       13.3791076855        7.6960893868
  F         2.6779292096       14.5684176102        7.1196528407
  C         1.5258185677       13.9969520760        6.6376479832
  H         7.6890692232        8.6048609032        0.8658683634
  H         5.1404369640        7.3466010823        4.0916720126
  H         5.4785300746       11.5276505445        3.1300488530
  H         2.8268335134        7.9313035678        3.5987036203
  H         0.5915638316        5.9714847950        6.7132313921
  H         3.2717094065        9.2053571062        7.6764522714
  H         5.5702146003        8.1750337330        6.7386301274
  H         8.0490599878       10.8354691853        9.0336542882
  H         5.4885429901       12.3839511438        5.9329708602
  H         2.9114267144       10.6178029166        2.7189448917
  H         0.5406022736       13.9406090734        4.0770717293
  H         3.2215513771       11.9508201300        6.7939488154
  F         9.9827952086        8.3886867726       18.4854922153
  C        11.2757918954        8.6559826854       18.8870924779
  F        11.9352218324        7.4692111092       18.8445251596
  F        11.2165443573        9.0173831375       20.2227071236
  C        11.8822074338        9.7245281384       18.0214647152
  C        11.4392024471       11.0395496887       18.2026744238
  C        11.8888134662       12.0127994385       17.3105680151
  C        12.7687248483       11.6835280570       16.2710927104
  C        13.2426489732       10.3738897186       16.0774761341
  C        12.7618815360        9.4015719839       16.9803551546
  B        14.1542482417        9.9819303529       14.7700596983
  C        15.1600174456       11.1871621435       14.3001341921
  C        15.7613169864       12.0580292978       15.2242989132
  C        16.7006323856       13.0218128397       14.8368067662
  C        17.0861255924       13.1510985640       13.4975498023
  C        16.5062312339       12.2865276933       12.5612197998
  C        15.5686608119       11.3265812191       12.9600202160
  C        16.8420643147       12.3972860597       11.0968882140
  F        17.8574658955       13.2699824571       10.8525448510
  F        15.7543754499       12.8160058770       10.3459780985
  F        17.2354066411       11.1907238544       10.5611627845
  C        17.2385963360       13.9424712267       15.8966038614
  F        16.2460629858       14.6728296245       16.4976496469
  F        18.1482643192       14.8384939140       15.4057505806
  F        17.8385879253       13.2541739218       16.9334437668
  C        13.0473299369        9.6454547715       13.5993224680
  C        12.4462313405       10.6745516928       12.8453742228
  C        11.4659497981       10.4125424833       11.8789624968
  C        11.0442517758        9.1067721248       11.6269085230
  C        11.6012447903        8.0759683115       12.3854450354
  C        12.5732913192        8.3414925065       13.3555458356
  C        11.0270045516        6.6992976625       12.2313642350
  F        10.4971341541        6.4947638749       10.9940620357
  F        11.9228006773        5.6913526972       12.4654377908
  F        10.0060544947        6.4974242316       13.1315312955
  C        10.9016037049       11.5267445331       11.0438336876
  F         9.7393292384       11.1775859518       10.4114566027
  F        10.6240774566       12.6598410418       11.7440082411
  F        11.7670276846       11.8877211438       10.0450137541
  C        15.1899290218        8.7407462890       15.0507484577
  C        15.8550810160        8.5664860102       16.2866225196
  C        16.8097461390        7.5592675547       16.4636587415
  C        17.1177477902        6.6708653398       15.4297158111
  C        16.4816565386        6.8322257958       14.2065529754
  C        15.5558848605        7.8636436348       14.0140109559
  C        17.4840453758        7.2670445335       17.7702229343
  F        17.6134578118        8.3290330889       18.6222647326
  F        16.7936266895        6.3146140546       18.4805116821
  F        18.7591427687        6.7892904265       17.5408097026
  C        11.3920057575       13.4254640568       17.4306881395
  F        10.7857942583       13.6684363307       18.6260541920
  F        10.4814366319       13.7338699318       16.4321350667
  F        12.4023087118       14.3404493196       17.3058522402
  F        17.6305740911        4.8721650877       13.4875059569
  F        17.3766615925        6.5267469168       12.0282164059
  F        15.6568130780        5.2690573147       12.6113566786
  C        16.7876620242        5.8814121667       13.0907250109
  H        10.7494687601       11.2953282481       19.0020879038
  H        13.0884469593       12.4722698332       15.5912816616
  H        13.0674292248        8.3641497738       16.8585714488
  H        15.4889292605       11.9912241284       16.2766303214
  H        17.7987711277       13.9114313500       13.1927311291
  H        15.1415290176       10.6732197801       12.2008005317
  H        12.7467178560       11.7082474310       13.0151449214
  H        10.2841428356        8.8983366931       10.8803263187
  H        12.9663810538        7.5103583022       13.9381024009
  H        15.6270175475        9.2297593802       17.1205091482
  H        17.8308258055        5.8689993171       15.5823820742
  H        15.1053626170        7.9771387859       13.0291187126
  F         2.7317658914       18.6332315825       20.0998471435
  C         2.7307928367       18.2907183832       18.7679812230
  F         1.4068532459       18.0788238334       18.4736590349
  F         3.3592823406       17.0875947011       18.6313554696
  C         3.3387739146       19.3554612677       17.9100256532
  C         4.1817075213       19.0329558828       16.8413983087
  C         4.6938275631       20.0195327306       15.9746560859
  C         4.2784743394       21.3390630930       16.2256380680
  C         3.4390218501       21.6637298177       17.2990381312
  C         2.9637297998       20.6781925549       18.1597198090
  C         2.9234311884       23.0644902737       17.4347799392
  F         2.2997252574       23.2921932073       18.6244122622
  F         3.9023072644       24.0238339568       17.3053841762
  F         1.9924468768       23.2936048291       16.4316866140
  B         5.6121815516       19.6362600716       14.6726108883
  C         6.6484984229       18.4093225055       14.9710755650
  C         7.2655639781       18.2761014448       16.2271503857
  C         8.2433714857       17.3077797861       16.4687420936
  C         8.6459088212       16.4197077349       15.4707448027
  C         8.0500088173       16.5417869825       14.2161235753
  C         7.0832687353       17.5242946897       13.9685752097
  C         8.4236965609       15.5963665558       13.1144801611
  F         7.3129957596       15.0304599428       12.5392063419
  F         9.2159273767       14.5688097872       13.5620202198
  F         9.1081360043       16.2276423589       12.1007945536
  C         8.7838092568       17.1548287660       17.8521639219
  F         8.9101053910       18.3673014841       18.4839209593
  F        10.0145072835       16.5639730376       17.8928736827
  F         7.9539362012       16.3793365654       18.6303345871
  C         6.6345566688       20.8481848480       14.2684358335
  C         7.2153589279       21.6951635754       15.2313334275
  C         8.1646773477       22.6651475780       14.8897869050
  C         8.5898908891       22.8205416713       13.5670287921
  C         8.0392748782       21.9743422987       12.6042964428
  C         7.0863857313       21.0105303935       12.9487771471
  C         8.4039690251       22.1122152774       11.1581908400
  F         8.8235158250       20.9054753731       10.6313045783
  F         9.3801998764       23.0320652679       10.9270036362
  F         7.3247353515       22.5146117164       10.4081382087
  C         8.6821405843       23.5847218274       15.9565674075
  F         9.6015723852       24.4688064694       15.4764508632
  F         7.6876789238       24.3576931001       16.5044203239
  F         9.2705445880       22.8895731198       17.0029837487
  C         4.5419501804       19.2819053419       13.4813067912
  C         4.0523078875       17.9790691001       13.2698971764
  C         3.0835318110       17.6952908961       12.2963540902
  C         2.5594842932       18.7113041749       11.4964698071
  C         3.0183411327       20.0180981725       11.7030408018
  C         3.9794584704       20.2950063787       12.6790251076
  C         2.3989769670       21.1147892314       10.8867074860
  F         2.3720087250       20.7826148255        9.5419286745
  F         1.0898921307       21.3346653440       11.2600528062
  F         3.0363767167       22.3171643960       10.9980239927
  C         2.5088256257       16.3088367062       12.1876486284
  F         1.9323243428       16.0519611036       10.9844102817
  F         3.4285383007       15.3141217258       12.3964584432
  F         1.5223748761       16.1209849048       13.1306191103
  H         4.4370093148       17.9887567541       16.6726054792
  H         4.6098713798       22.1382705007       15.5640735165
  H         2.3000957409       20.9286980594       18.9831556010
  H         6.9802111800       18.9441080455       17.0382769829
  H         9.3850575949       15.6507952131       15.6714887078
  H         6.6574927962       17.5920928505       12.9684076858
  H         6.9174667854       21.6067080791       16.2754616534
  H         9.3105433006       23.5846592671       13.2941242009
  H         6.6841706029       20.3736009341       12.1624907319
  H         4.4299265102       17.1595895524       13.8801554842
  H         1.8062445724       18.4932552537       10.7434074333
  H         4.2984154615       21.3265600749       12.8164943517
  F        15.6186625757        1.2751001906       -0.2930608838
  C        15.6624918161        1.6684401208        1.0284149580
  F        16.9916635804        1.8963113917        1.3185774341
  F        15.0495446212        2.8843001637        1.1015800081
  C        15.0747526051        0.6116209157        1.9254665953
  C        14.2238198002        0.9232418268        2.9925199074
  C        13.7277357604       -0.0722085098        3.8631788246
  C        14.1674663439       -1.3847169740        3.6280793466
  C        15.0054982407       -1.7037725393        2.5554369792
  C        15.4638259360       -0.7129272786        1.6867852704
  C        15.4679882868       -3.1195833161        2.3835924804
  F        16.0486921969       -3.3178000137        1.1713013215
  F        14.4477717666       -4.0414072131        2.4964468380
  F        16.4091252387       -3.4512344131        3.3544374150
  B        12.7858997523        0.2709777430        5.1572133987
  C        11.7367040461        1.4839278696        4.8446782084
  C        11.1269878360        1.5968859709        3.5802088025
  C        10.1464689503        2.5567948408        3.3189236114
  C         9.7319082805        3.4563210612        4.3055323855
  C        10.3177819808        3.3533271399        5.5646121012
  C        11.2916537824        2.3802500758        5.8305434393
  C         9.9539217567        4.3110093988        6.6594886502
  F        11.0922444860        4.8782744899        7.1886657071
  F         9.1361813002        5.3320075541        6.2380914718
  F         9.3074073517        3.6817124275        7.6990754779
  C         9.6231933334        2.7201640040        1.9279073440
  F         9.4967764245        1.5338777993        1.2493883819
  F         8.4025345243        3.3409123030        1.9034833515
  F        10.4693713389        3.4760971985        1.1633453986
  C        11.7825406389       -0.9618454340        5.5500319870
  C        11.2406850684       -1.8363903056        4.5904109909
  C        10.2901685244       -2.8066810453        4.9265461184
  C         9.8252652392       -2.9389819791        6.2379040840
  C        10.3409701744       -2.0709577124        7.1988325672
  C        11.2975682313       -1.1061253918        6.8613284340
  C         9.9458571759       -2.1878083581        8.6396656333
  F         9.5858488317       -0.9740991852        9.1687665779
  F         8.9075436000       -3.0503401960        8.8702203998
  F        11.0139270790       -2.6144502182        9.3929558737
  C         9.7510316672       -3.6984857787        3.8495168357
  F         8.8176096660       -4.5678586636        4.3252486147
  F        10.7196553299       -4.4527229878        3.2286064609
  F         9.1411208547       -2.9678330948        2.8540773978
  C        13.8516675986        0.6102027746        6.3538829337
  C        14.3437482786        1.9089379398        6.5647383496
  C        15.3256018860        2.1851697537        7.5257302484
  C        15.8695620560        1.1706883705        8.3103983671
  C        15.4107948183       -0.1345294342        8.1004126943
  C        14.4271642335       -0.4067507601        7.1441320546
  C        16.0230149190       -1.2295068627        8.9222806051
  F        16.0412318850       -0.8758412164       10.2620751338
  F        17.3295839154       -1.4916873337        8.5809357399
  F        15.3721163955       -2.4176990530        8.8047700308
  C        15.8738592030        3.5757983589        7.6216370085
  F        16.4771212658        3.8575474116        8.8090910174
  F        14.9136836879        4.5287592130        7.4081500737
  F        16.8297524684        3.7882344727        6.6593725427
  H        13.9428033271        1.9633051644        3.1523617326
  H        13.8479897948       -2.1848988086        4.2945760741
  H        16.1185642937       -0.9620966761        0.8561363649
  H        11.4235339738        0.9214473389        2.7787463274
  H         8.9916803057        4.2212275460        4.0919264782
  H        11.7168916463        2.3326097577        6.8320441841
  H        11.5622554978       -1.7641923639        3.5521644355
  H         9.0954598675       -3.6968353547        6.5037472655
  H        11.6711851511       -0.4479238676        7.6445395033
  H        13.9593544269        2.7327880399        5.9648556115
  H        16.6316794029        1.3888876304        9.0543035532
  H        14.1020009225       -1.4371751162        7.0105666557
  H        10.7945331161       11.7811419905        4.6947300223
  H        11.5931817519       10.0399140713        3.1251561068
     646
 i =      147, E =         0.0025769109
 Rh         3.6487037846        0.2412935382        4.8223114207
  P         5.3919757358        0.6387633680        6.2901489210
  C         5.2308885954       -0.3104449626        7.8717632277
  C         4.8430461785       -1.7861135492        7.6566151999
  C         4.5347920812       -2.4493640598        9.0094316017
  C         5.7177569222       -2.3337041068        9.9812304976
  C         6.1833280451       -0.8788303462       10.1426634942
  C         6.4589982220       -0.2015388247        8.7889717014
  C         5.6693901673        2.4063942127        6.8110070937
  C         4.6330240490        2.8252348608        7.8772301437
  C         4.6416914328        4.3338005085        8.1724689991
  C         4.5482188889        5.1670300050        6.8914853965
  C         5.6897559781        4.8043300063        5.9390822140
  C         5.6306934656        3.3173766350        5.5645400297
  C         7.0051927860        0.0977483399        5.5223921943
  C         6.9773046302        0.2342390376        3.9906856827
  P         5.3143287656       -0.2374155062        3.2958659059
  C         5.4798603231       -2.0237617309        2.7940734744
  C         4.3970418493       -2.4030535987        1.7637397107
  C         4.3860786279       -3.9063671620        1.4650816202
  C         4.2507172077       -4.7423205574        2.7396663733
  C         5.3911149956       -4.4214364944        3.7101985837
  C         5.4222119589       -2.9224713327        4.0505393995
  C         5.1204573658        0.6997538442        1.7103754809
  C         4.8365358617        2.1987982828        1.9278757551
  C         4.4298820209        2.8445104048        0.5923516231
  C         5.5071046398        2.6467380017       -0.4855534037
  C         5.8900188842        1.1664940062       -0.6468687529
  C         6.2616358581        0.5112717766        0.6966280581
  C         1.8888559279        0.3178864164        3.4714789591
  C         1.9125379962       -0.9296253419        4.1017003211
  C         1.0800463379       -0.7913915045        5.3909823623
  C         1.9504925656        0.1426916054        6.2591164835
  C         1.9258108638        1.3890447043        5.6318205948
  C         1.0401744894        1.2363895492        4.3788133455
  C        -0.0021723721        0.2114612449        4.9048800035
  H         4.3788861561        0.1822048090        8.3694488847
  H         5.6689550399       -2.3214673469        7.1644068796
  H         3.9769673007       -1.8581737139        6.9812249660
  H         4.2646114657       -3.5042841220        8.8598664391
  H         3.6501166413       -1.9634849682        9.4465925011
  H         5.4397983978       -2.7498480300       10.9604688501
  H         6.5531842465       -2.9460001002        9.6154390118
  H         7.0921749562       -0.8322438440       10.7606667086
  H         5.4049579050       -0.3074265085       10.6723988055
  H         6.7484184652        0.8456879633        8.9464719735
  H         7.3136346910       -0.6894510740        8.3027035902
  H         6.6769527883        2.4614465955        7.2544937209
  H         4.8175121837        2.2751970458        8.8098016797
  H         3.6269898963        2.5324461111        7.5455293751
  H         5.5649882244        4.6006031729        8.7063555141
  H         3.8106234193        4.5682698986        8.8534265980
  H         4.5652733812        6.2375563359        7.1386028835
  H         3.5852232286        4.9857236084        6.3913147373
  H         6.6525829569        5.0304073890        6.4175384766
  H         5.6488201595        5.4075648821        5.0228296687
  H         6.4602007690        3.0661098734        4.8873863801
  H         4.7025790256        3.1183088653        5.0038362708
  H         7.8426782271        0.6609436778        5.9586912593
  H         7.1461111498       -0.9537939351        5.8105006866
  H         7.7700765434       -0.3652917693        3.5202824855
  H         7.1479893533        1.2789632929        3.6955200565
  H         6.4698662749       -2.1379357104        2.3229621458
  H         4.5496975357       -1.8469979360        0.8288200809
  H         3.4068222027       -2.1046223856        2.1338461408
  H         5.3180015334       -4.1792930679        0.9491326683
  H         3.5656847558       -4.1250582886        0.7696847923
  H         4.2388377791       -5.8113464822        2.4861217966
  H         3.2826984387       -4.5363337211        3.2205855793
  H         5.2854863810       -4.9942492821        4.6438014683
  H         6.3503569233       -4.7222748153        3.2640522975
  H         6.2806897978       -2.7099135907        4.7038622572
  H         4.5215155658       -2.6605516237        4.6292891811
  H         4.2050400596        0.2572658434        1.2825838982
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 Rh         5.9528689737       10.0597885647       14.9875477899
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  H        11.6109917723        7.4201074310        5.4548557361
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  F         7.3491634861       10.8245837175       -0.2359751646
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  C         6.4460346565        7.8480305395        2.4606977456
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  C         5.1576710397        9.4850780665        3.7736891132
  C         5.7337700414       10.4832314431        2.9565606484
  B         4.2403777725        9.8989145152        5.0767388623
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  C         2.5861614880        7.8531133778        4.6584056174
  C         1.6586797533        6.8797662603        5.0586282914
  C         1.2946772909        6.7384069489        6.3996944015
  C         1.8884059205        7.6060542530        7.3252817353
  C         2.8255765060        8.5647148444        6.9173072478
  C         1.5836703634        7.5068360191        8.7950589629
  F         0.6298155907        6.5793813542        9.0909302932
  F         2.6872593486        7.1594898087        9.5341799997
  F         1.1747676194        8.7181621225        9.3120428731
  C         1.1562073940        5.9766894450        3.9699959779
  F         2.1808464486        5.2390330123        3.4406245102
  F         0.1940029188        5.0744721464        4.3301330134
  F         0.6517685406        6.7257251740        2.9279402948
  C         5.3442417440       10.2464309278        6.2201553811
  C         5.8984179058        9.1905459786        6.9497480392
  C         6.8569272671        9.3858588388        7.9448386267
  C         7.3157725080       10.6706351216        8.2510913212
  C         6.8185230205       11.7408803563        7.4916376990
  C         5.8568011742       11.5264052684        6.4936529481
  C         7.3343333920       13.1426917973        7.6993146831
  F         7.8477569402       13.3444662093        8.9475051593
  F         6.3557536771       14.0812872084        7.4845088145
  F         8.3398348681       13.4812161925        6.8170005484
  C         7.2735959225        8.1352561303        8.6614003009
  F         8.4344116129        8.2299209805        9.3838962181
  F         7.4254420884        7.1000438570        7.7768280591
  F         6.2866972522        7.7316653927        9.5348184246
  C         3.2314669741       11.1414139910        4.7873083841
  C         2.6312641989       11.2885994110        3.5294675200
  C         1.6666779041       12.2676716010        3.2886439477
  C         1.2702749225       13.1634716973        4.2812473361
  C         1.8557752191       13.0324090121        5.5376848083
  C         2.8049025447       12.0297298880        5.7901515870
  C         1.1058224991       12.3796843062        1.9153705605
  F         1.0154168958       11.1553145952        1.3118377047
  F         1.8933300999       13.1555721790        1.0974741340
  F        -0.1575163193       12.9027133944        1.9036259948
  C         6.8215625272        6.4137087986        2.2179576314
  F         7.6152799155        6.2390330392        1.1139203840
  F         7.4985558914        5.8847516971        3.2979739681
  F         5.7121763362        5.6251734525        2.0530598944
  F         0.7126876878       15.0294340466        6.2355138878
  F         0.8948014469       13.3791161840        7.6960893616
  F         2.6779234492       14.5684374976        7.1196503006
  C         1.5258395487       13.9970074722        6.6377768954
  H         7.6886113593        8.6048069707        0.8654990142
  H         5.1408319882        7.3467257338        4.0920171975
  H         5.4787681500       11.5276799802        3.1302254238
  H         2.8270833425        7.9311607469        3.5987569660
  H         0.5915746500        5.9714055850        6.7132504621
  H         3.2713547524        9.2056722145        7.6763526473
  H         5.5698720329        8.1751295829        6.7390155953
  H         8.0492088903       10.8354590627        9.0335768052
  H         5.4886955434       12.3839733424        5.9328431765
  H         2.9115201539       10.6179621568        2.7189337219
  H         0.5401188397       13.9406628549        4.0770821461
  H         3.2217924959       11.9511023642        6.7938284039
  F         9.9828097985        8.3887035449       18.4854758717
  C        11.2758035280        8.6558976659       18.8871465110
  F        11.9351858655        7.4692982152       18.8445073082
  F        11.2165607980        9.0173835354       20.2226568546
  C        11.8821531187        9.7245737564       18.0215106240
  C        11.4392796334       11.0395389350       18.2027224728
  C        11.8888137366       12.0127795916       17.3106142881
  C        12.7686811142       11.6835370830       16.2711260318
  C        13.2426215531       10.3738489152       16.0774579146
  C        12.7618225510        9.4014551307       16.9802719439
  B        14.1541391072        9.9819196007       14.7700516975
  C        15.1600105312       11.1871543218       14.3001070719
  C        15.7612599158       12.0580740994       15.2243052200
  C        16.7006165980       13.0218105010       14.8367427962
  C        17.0861330208       13.1511122383       13.4976453851
  C        16.5061881842       12.2864378492       12.5612179154
  C        15.5686807021       11.3265136698       12.9600073472
  C        16.8421139953       12.3973548350       11.0967445788
  F        17.8573600887       13.2698750564       10.8526033380
  F        15.7544166065       12.8159709030       10.3460489334
  F        17.2353977946       11.1907380596       10.5612058415
  C        17.2385775592       13.9424190542       15.8966062910
  F        16.2460281440       14.6728569705       16.4976783535
  F        18.1483135762       14.8385356275       15.4057235001
  F        17.8385922939       13.2541688789       16.9334479132
  C        13.0474260127        9.6454790796       13.5994927616
  C        12.4461664470       10.6747996848       12.8452889024
  C        11.4658876361       10.4123803984       11.8788899000
  C        11.0443664079        9.1069032695       11.6268674124
  C        11.6011502750        8.0758839766       12.3854154444
  C        12.5730987138        8.3413769354       13.3556104886
  C        11.0270096076        6.6993477273       12.2312924726
  F        10.4972454560        6.4947297944       10.9942589231
  F        11.9227119139        5.6914016430       12.4653808315
  F        10.0060691423        6.4973709755       13.1314955323
  C        10.9017418520       11.5265532108       11.0438670864
  F         9.7392038654       11.1775512791       10.4113483665
  F        10.6239720695       12.6600895675       11.7441416948
  F        11.7671029848       11.8877514542       10.0448855545
  C        15.1900254061        8.7405051654       15.0507507962
  C        15.8549170298        8.5665175557       16.2864957611
  C        16.8097437285        7.5593167455       16.4636938729
  C        17.1177698078        6.6708804767       15.4294659757
  C        16.4817343251        6.8321530934       14.2066519056
  C        15.5557077538        7.8637184634       14.0142171102
  C        17.4841033182        7.2671287815       17.7705208934
  F        17.6133961756        8.3287604113       18.6219778494
  F        16.7937177192        6.3147460571       18.4803871304
  F        18.7590656021        6.7893126904       17.5408056798
  C        11.3920415773       13.4254393956       17.4306926055
  F        10.7857550273       13.6684507187       18.6261094021
  F        10.4814093665       13.7338768602       16.4321105610
  F        12.4023221379       14.3404597564       17.3058460664
  F        17.6307426357        4.8719819303       13.4875651937
  F        17.3766892277        6.5267646014       12.0281788486
  F        15.6566552824        5.2689561852       12.6112646381
  C        16.7876280664        5.8815887324       13.0907698169
  H        10.7496283439       11.2953410271       19.0022112490
  H        13.0884539825       12.4722831204       15.5912666070
  H        13.0672274987        8.3641243712       16.8584367181
  H        15.4887894583       11.9913135129       16.2766198248
  H        17.7987873267       13.9114107799       13.1927162264
  H        15.1416137768       10.6731075654       12.2008145317
  H        12.7467013276       11.7081531319       13.0151305108
  H        10.2843100848        8.8982959398       10.8801404728
  H        12.9661357290        7.5104091310       13.9383269181
  H        15.6269524460        9.2297210085       17.1205487078
  H        17.8309865551        5.8691602177       15.5823043502
  H        15.1051322013        7.9769712845       13.0291074359
  F         2.7318043171       18.6332188104       20.0997368768
  C         2.7306107394       18.2907352158       18.7680563318
  F         1.4068853824       18.0788620145       18.4736714378
  F         3.3593863642       17.0875048957       18.6313350928
  C         3.3387346665       19.3553997139       17.9099874165
  C         4.1816494977       19.0326918723       16.8414714260
  C         4.6940287466       20.0195444555       15.9744351299
  C         4.2784358325       21.3392067498       16.2258505638
  C         3.4389710566       21.6637388872       17.2990671747
  C         2.9636520915       20.6783732707       18.1595631519
  C         2.9237503062       23.0641186947       17.4345712649
  F         2.2994001913       23.2923353735       18.6248309101
  F         3.9023763439       24.0239615151       17.3053707881
  F         1.9922275585       23.2937409940       16.4315393029
  B         5.6121430447       19.6362382483       14.6727138272
  C         6.6484815344       18.4091614076       14.9711243824
  C         7.2653869953       18.2760641043       16.2271615262
  C         8.2433969510       17.3077074816       16.4687068761
  C         8.6459705813       16.4197807057       15.4707113460
  C         8.0500016440       16.5418049363       14.2162109662
  C         7.0831286623       17.5242511590       13.9686503136
  C         8.4236598298       15.5963127994       13.1143394851
  F         7.3130864452       15.0305220504       12.5392947409
  F         9.2159508087       14.5687846378       13.5620389617
  F         9.1081139329       16.2276273089       12.1008450401
  C         8.7838412576       17.1548840622       17.8522519559
  F         8.9100787707       18.3672372614       18.4838695059
  F        10.0145031141       16.5639559226       17.8928430374
  F         7.9539261816       16.3793267361       18.6303311705
  C         6.6346835804       20.8481107412       14.2684562040
  C         7.2154750513       21.6950283045       15.2313075384
  C         8.1646220979       22.6650245416       14.8897958980
  C         8.5898363764       22.8205881031       13.5670559860
  C         8.0392467998       21.9742935968       12.6043018459
  C         7.0863923065       21.0104268363       12.9488891045
  C         8.4040314126       22.1122259611       11.1581256200
  F         8.8234935242       20.9054907496       10.6313406995
  F         9.3801207998       23.0319907313       10.9270431075
  F         7.3247442712       22.5146064409       10.4081527508
  C         8.6821451981       23.5847263647       15.9566379456
  F         9.6015825611       24.4688113168       15.4764280737
  F         7.6877022846       24.3576627444       16.5043871999
  F         9.2705261113       22.8895806684       17.0029588958
  C         4.5418467393       19.2818215062       13.4812464497
  C         4.0522916551       17.9792868044       13.2698540560
  C         3.0835934617       17.6953102053       12.2963905960
  C         2.5595058645       18.7112702477       11.4964568048
  C         3.0183161557       20.0180201426       11.7030064195
  C         3.9796171375       20.2949903915       12.6792198405
  C         2.3989840922       21.1151272464       10.8867265756
  F         2.3720071075       20.7825820278        9.5419050360
  F         1.0900079159       21.3346132851       11.2600572979
  F         3.0362090674       22.3168933512       10.9979866394
  C         2.5088727203       16.3087923985       12.1876510424
  F         1.9322932923       16.0519424792       10.9843681330
  F         3.4285098530       15.3141440552       12.3964471905
  F         1.5223333602       16.1209627676       13.1306463742
  H         4.4369354222       17.9888982944       16.6726065316
  H         4.6100880091       22.1382699453       15.5642437905
  H         2.2998810069       20.9286585694       18.9830205660
  H         6.9800765827       18.9438929020       17.0383304883
  H         9.3852994182       15.6509093899       15.6714310466
  H         6.6573471924       17.5919148795       12.9685061108
  H         6.9176795094       21.6064924273       16.2754868415
  H         9.3103698579       23.5847686020       13.2940907300
  H         6.6842499440       20.3735010497       12.1625277281
  H         4.4299123832       17.1594969369       13.8802278946
  H         1.8062383752       18.4932567444       10.7433798475
  H         4.2983854795       21.3264961960       12.8165210361
  F        15.6186873132        1.2750453784       -0.2931205178
  C        15.6625012128        1.6683339330        1.0284633232
  F        16.9917051599        1.8962959457        1.3185938730
  F        15.0494592346        2.8844398763        1.1016216300
  C        15.0747465758        0.6116617275        1.9254944871
  C        14.2237518918        0.9232424884        2.9923416796
  C        13.7275561838       -0.0722135345        3.8631207623
  C        14.1673106657       -1.3847341774        3.6278850370
  C        15.0054436185       -1.7038240608        2.5554914646
  C        15.4640270772       -0.7128385274        1.6868042372
  C        15.4679781540       -3.1196117755        2.3835719524
  F        16.0486912688       -3.3178037301        1.1713030806
  F        14.4477691852       -4.0413989357        2.4964403784
  F        16.4091277350       -3.4512353841        3.3544344705
  B        12.7858487101        0.2710596762        5.1571172445
  C        11.7367828952        1.4839482310        4.8446627496
  C        11.1269394805        1.5970336446        3.5800746039
  C        10.1464934167        2.5568310849        3.3188874317
  C         9.7318590961        3.4563985755        4.3055074648
  C        10.3178204960        3.3533281446        5.5646201743
  C        11.2916225592        2.3803868457        5.8305684635
  C         9.9537786050        4.3109325585        6.6592920605
  F        11.0924483228        4.8784454878        7.1888576455
  F         9.1361789087        5.3320321037        6.2381059760
  F         9.3073811998        3.6816764882        7.6991661466
  C         9.6231164283        2.7201974422        1.9279747013
  F         9.4967652031        1.5338862880        1.2493637761
  F         8.4026175811        3.3408553368        1.9034540199
  F        10.4693967362        3.4761302324        1.1632859054
  C        11.7824121228       -0.9617105026        5.5499742438
  C        11.2404406885       -1.8362256391        4.5903875143
  C        10.2901837886       -2.8065834682        4.9264500242
  C         9.8252439643       -2.9391455327        6.2379598748
  C        10.3410601604       -2.0708431808        7.1988457187
  C        11.2974362074       -1.1061040187        6.8612717896
  C         9.9458466294       -2.1877884838        8.6396956932
  F         9.5858676190       -0.9741462942        9.1687366701
  F         8.9075511450       -3.0503358844        8.8702220138
  F        11.0139155788       -2.6144436436        9.3929480502
  C         9.7509850306       -3.6985077634        3.8494918397
  F         8.8176279185       -4.5678429893        4.3252381221
  F        10.7196420223       -4.4527022626        3.2286214831
  F         9.1411341893       -2.9678408549        2.8540807240
  C        13.8516790917        0.6100668836        6.3538401258
  C        14.3437437123        1.9088991277        6.5646372005
  C        15.3258276391        2.1852817221        7.5258041481
  C        15.8694094269        1.1706926147        8.3100603412
  C        15.4109170964       -0.1344988292        8.1004534495
  C        14.4269201409       -0.4067589366        7.1438799050
  C        16.0230751292       -1.2295449948        8.9223996032
  F        16.0411720509       -0.8758078289       10.2619512222
  F        17.3295957593       -1.4916555171        8.5808308925
  F        15.3720440987       -2.4177485512        8.8047050626
  C        15.8734647603        3.5757864950        7.6216526718
  F        16.4770834110        3.8575683407        8.8089953849
  F        14.9140944120        4.5284698842        7.4082737316
  F        16.8298775239        3.7883517587        6.6592817774
  H        13.9426011867        1.9632356090        3.1521629006
  H        13.8476116796       -2.1849894816        4.2943124278
  H        16.1189290486       -0.9620438416        0.8564009454
  H        11.4235790034        0.9216034719        2.7786858607
  H         8.9916624545        4.2212556830        4.0919174126
  H        11.7168770558        2.3326565684        6.8319329697
  H        11.5618686166       -1.7638564096        3.5520216440
  H         9.0956985895       -3.6969900473        6.5037877954
  H        11.6710926596       -0.4477934501        7.6444992378
  H        13.9593781513        2.7328130851        5.9647351716
  H        16.6319091519        1.3888645167        9.0541828555
  H        14.1019131353       -1.4370953209        7.0105839925
  H        10.7942244866       11.7815131768        4.6930975694
  H        11.5928457973       10.0390656480        3.1249539243
     646
 i =      148, E =         0.0021158138
 Rh         3.6489173541        0.2413572158        4.8223700939
  P         5.3921240786        0.6387821235        6.2902784675
  C         5.2309239479       -0.3106434613        7.8717886899
  C         4.8432673295       -1.7863964058        7.6561845021
  C         4.5347927154       -2.4498033601        9.0089405765
  C         5.7176432226       -2.3344027312        9.9808205879
  C         6.1830992408       -0.8795964107       10.1426385802
  C         6.4588867901       -0.2018263325        8.7892291444
  C         5.6694238082        2.4064262894        6.8111643607
  C         4.6329071027        2.8253887417        7.8772063354
  C         4.6422981247        4.3339476888        8.1726584413
  C         4.5484990619        5.1671786904        6.8916413699
  C         5.6895664132        4.8043219696        5.9387499326
  C         5.6306151436        3.3172880578        5.5646399223
  C         7.0053572285        0.0979449794        5.5224374854
  C         6.9774904385        0.2343476003        3.9907218814
  P         5.3144764784       -0.2374303822        3.2959732142
  C         5.4805321643       -2.0237744780        2.7941448110
  C         4.3976071091       -2.4031014999        1.7637828308
  C         4.3864019612       -3.9065660354        1.4653834596
  C         4.2509185145       -4.7422705516        2.7402625486
  C         5.3917569088       -4.4214170463        3.7104393720
  C         5.4226389804       -2.9223375492        4.0508637226
  C         5.1201466231        0.6995710068        1.7104322112
  C         4.8360872243        2.1985655232        1.9279635075
  C         4.4299640189        2.8445980886        0.5925543979
  C         5.5074581167        2.6469835292       -0.4848795994
  C         5.8897690904        1.1667734240       -0.6467790305
  C         6.2611523441        0.5110307488        0.6965038645
  C         1.8891012486        0.3178351581        3.4715070677
  C         1.9126777644       -0.9294158797        4.1019003768
  C         1.0801265722       -0.7910649021        5.3913264082
  C         1.9507669013        0.1433025381        6.2592657363
  C         1.9262040018        1.3896353401        5.6315808991
  C         1.0404418610        1.2368106979        4.3785489152
  C        -0.0019431449        0.2119897280        4.9049007635
  H         4.3788108656        0.1817473532        8.3693447895
  H         5.6694935636       -2.3215569438        7.1642648929
  H         3.9775426474       -1.8584421247        6.9806221245
  H         4.2645441591       -3.5047436506        8.8590935565
  H         3.6500866339       -1.9639862219        9.4459989473
  H         5.4396067815       -2.7508299223       10.9599832271
  H         6.5531023995       -2.9466464211        9.6149619708
  H         7.0920511197       -0.8331504314       10.7607518564
  H         5.4047741628       -0.3083806442       10.6726046067
  H         6.7480141252        0.8454456882        8.9471001671
  H         7.3136978546       -0.6893598884        8.3029393273
  H         6.6768578453        2.4615424276        7.2548416065
  H         4.8167676531        2.2750792793        8.8096706932
  H         3.6268067644        2.5333052985        7.5450908791
  H         5.5661884782        4.6002595483        8.7059526493
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  H        11.2108809831        9.4492749568        7.2020314846
  H         9.0917318751       10.7051438993        6.4488974514
  H         8.0363170700        9.3624796103        4.3421324496
  H         8.5378461143        8.2203710500        5.6276078401
  H        10.0031728969        7.7484164700        3.4327590286
  H         9.1547739309       11.5853492928        4.0573965263
  H        11.6107171410        7.4208828763        5.4571158528
  F         8.5023923555       11.5983800597        1.4656167493
  C         7.2278420389       11.2413008060        1.0646528807
  F         6.4847946354       12.3778731046        1.0306120309
  F         7.3491452810       10.8245915534       -0.2359033526
  C         6.6267102473       10.1720656239        1.9261574365
  C         6.9968326564        8.8484805395        1.6665245069
  C         6.4461003867        7.8479937492        2.4606592293
  C         5.5455707582        8.1615740063        3.4927024327
  C         5.1581663596        9.4849527042        3.7734738744
  C         5.7338226990       10.4828883039        2.9568654453
  B         4.2403001695        9.8991624641        5.0767764530
  C         3.2167762738        8.7118939630        5.5721678725
  C         2.5867074367        7.8535694497        4.6586739966
  C         1.6587674446        6.8798562692        5.0589141721
  C         1.2943714547        6.7380087690        6.3997266072
  C         1.8885784770        7.6063606231        7.3250680439
  C         2.8254137355        8.5649096977        6.9170405961
  C         1.5836756464        7.5069330835        8.7956569886
  F         0.6298324018        6.5793846503        9.0908393676
  F         2.6870117127        7.1596366192        9.5338195949
  F         1.1749671338        8.7178396704        9.3117239212
  C         1.1559804878        5.9761951135        3.9694316518
  F         2.1806669264        5.2392531342        3.4408432606
  F         0.1943041687        5.0747465406        4.3301194242
  F         0.6519325340        6.7255727789        2.9282843125
  C         5.3444064253       10.2464286605        6.2205208168
  C         5.8981734145        9.1909572773        6.9499405306
  C         6.8568371338        9.3859919509        7.9448504229
  C         7.3159724186       10.6704262333        8.2512467703
  C         6.8185776466       11.7410523069        7.4916114239
  C         5.8567003092       11.5262490002        6.4934978713
  C         7.3344263400       13.1428627063        7.6994071403
  F         7.8476796021       13.3443734645        8.9473477113
  F         6.3558335583       14.0811429134        7.4845173952
  F         8.3397529163       13.4811572984        6.8170516021
  C         7.2736005564        8.1351041117        8.6614843006
  F         8.4344259301        8.2299390865        9.3839052686
  F         7.4254179199        7.1001596414        7.7768930045
  F         6.2867576880        7.7317118584        9.5347364950
  C         3.2321973641       11.1409072068        4.7874222158
  C         2.6305958257       11.2892342060        3.5286836440
  C         1.6672948578       12.2669404338        3.2886266275
  C         1.2696300317       13.1638939155        4.2810681746
  C         1.8563924688       13.0319090814        5.5380890180
  C         2.8045091615       12.0307452257        5.7905474772
  C         1.1058174974       12.3797814365        1.9155189969
  F         1.0154100559       11.1552204224        1.3117968931
  F         1.8933570573       13.1555810373        1.0974106929
  F        -0.1576192662       12.9027254509        1.9035606200
  C         6.8215932193        6.4134302953        2.2179590389
  F         7.6152117103        6.2391000804        1.1139933884
  F         7.4984217762        5.8849068058        3.2978277107
  F         5.7123505179        5.6253509343        2.0531062481
  F         0.7126226214       15.0295290959        6.2355375404
  F         0.8947997477       13.3791053695        7.6961165506
  F         2.6779397298       14.5684310974        7.1196662885
  C         1.5258288454       13.9969874033        6.6376814004
  H         7.6879798073        8.6047536954        0.8651201099
  H         5.1412913771        7.3467173484        4.0924996996
  H         5.4790446815       11.5279093538        3.1304388904
  H         2.8273724252        7.9309421752        3.5987258881
  H         0.5918505659        5.9715848489        6.7131471443
  H         3.2709576112        9.2061310580        7.6763673283
  H         5.5694080277        8.1750707077        6.7394720197
  H         8.0493496107       10.8354594148        9.0334299272
  H         5.4889328136       12.3839662848        5.9327456196
  H         2.9116949686       10.6181164428        2.7189912169
  H         0.5399619347       13.9402585991        4.0772313415
  H         3.2220918334       11.9513811085        6.7935483224
  F         9.9827530907        8.3886649428       18.4854753388
  C        11.2757883546        8.6560478078       18.8871020677
  F        11.9352618706        7.4691299143       18.8445240162
  F        11.2165426847        9.0173787621       20.2227067491
  C        11.8822138659        9.7245049055       18.0214441616
  C        11.4393344439       11.0394081215       18.2028691851
  C        11.8887732236       12.0129527234       17.3106675535
  C        12.7688040535       11.6833828172       16.2709987135
  C        13.2424756290       10.3738583515       16.0775374457
  C        12.7616255143        9.4016415596       16.9802494881
  B        14.1542561610        9.9818571642       14.7700934615
  C        15.1599520202       11.1870940897       14.3000801935
  C        15.7611540866       12.0580923920       15.2243389855
  C        16.7006015862       13.0218521985       14.8368463541
  C        17.0861065048       13.1510305941       13.4975048817
  C        16.5062435447       12.2864558783       12.5611651277
  C        15.5687482621       11.3264957448       12.9600839679
  C        16.8419552853       12.3972192797       11.0969977445
  F        17.8576056824       13.2700817294       10.8524851631
  F        15.7543622594       12.8160157370       10.3459524286
  F        17.2354309011       11.1906553804       10.5610955288
  C        17.2385903870       13.9424768252       15.8965900220
  F        16.2460689755       14.6728213800       16.4976404841
  F        18.1482315812       14.8384616326       15.4057582014
  F        17.8385768544       13.2541761096       16.9334300632
  C        13.0469423996        9.6453384614       13.5991611900
  C        12.4463700649       10.6742925477       12.8455765102
  C        11.4659311367       10.4125845502       11.8788574750
  C        11.0442726651        9.1066843740       11.6266377273
  C        11.6010932340        8.0757892248       12.3854356376
  C        12.5730884761        8.3420506997       13.3557585606
  C        11.0270096524        6.6994105753       12.2313951874
  F        10.4971102958        6.4947342140       10.9940324533
  F        11.9227964358        5.6913447616       12.4654296030
  F        10.0060442270        6.4974068785       13.1315290019
  C        10.9015511674       11.5268773603       11.0437186344
  F         9.7393834945       11.1775826387       10.4114988567
  F        10.6241229264       12.6597126723       11.7439795921
  F        11.7669857474       11.8876725289       10.0451185367
  C        15.1895379716        8.7409155460       15.0508209313
  C        15.8552568189        8.5662335471       16.2869335881
  C        16.8096543372        7.5592773062       16.4633405172
  C        17.1177386936        6.6713121045       15.4298573482
  C        16.4815400505        6.8323408711       14.2066177815
  C        15.5556921819        7.8631823289       14.0135800512
  C        17.4840087049        7.2670186662       17.7700631782
  F        17.6134904255        8.3291939927       18.6224349482
  F        16.7935595787        6.3145284547       18.4806041483
  F        18.7592006071        6.7892638900       17.5408188813
  C        11.3920054409       13.4254484806       17.4307278037
  F        10.7858097068       13.6684289141       18.6260317289
  F        10.4814631890       13.7338501783       16.4321578687
  F        12.4022986746       14.3404345717       17.3058568715
  F        17.6304821733        4.8722918731       13.4874906078
  F        17.3766018302        6.5267321517       12.0283103211
  F        15.6569430933        5.2691724849       12.6114616410
  C        16.7876673800        5.8812491753       13.0905468097
  H        10.7498162758       11.2953747706       19.0023686495
  H        13.0884249355       12.4722587292       15.5913057430
  H        13.0670281947        8.3639157195       16.8582523467
  H        15.4886334193       11.9914332393       16.2765524751
  H        17.7987905731       13.9113763301       13.1927200800
  H        15.1416854180       10.6729270706       12.2007823306
  H        12.7467188376       11.7083563053       13.0151099446
  H        10.2846016663        8.8982932098       10.8799913478
  H        12.9658805131        7.5102641948       13.9386962005
  H        15.6268337029        9.2296620192       17.1204808980
  H        17.8313119698        5.8692034006       15.5821987915
  H        15.1049806667        7.9767686075       13.0294687426
  F         2.7317687738       18.6332348302       20.0998399671
  C         2.7306584994       18.2906629318       18.7679931159
  F         1.4067998865       18.0788185850       18.4736775059
  F         3.3592614532       17.0876316589       18.6313629253
  C         3.3386729577       19.3555440655       17.9098838938
  C         4.1817023030       19.0336611370       16.8411728971
  C         4.6935941692       20.0194832805       15.9750828168
  C         4.2790325098       21.3386706685       16.2254198267
  C         3.4388767380       21.6640835516       17.2991128237
  C         2.9632999263       20.6778079570       18.1598735170
  C         2.9232272556       23.0647356420       17.4349905789
  F         2.3000348631       23.2919666908       18.6239834022
  F         3.9022290078       24.0236693787       17.3053964147
  F         1.9926014819       23.2934894069       16.4317970424
  B         5.6122377755       19.6361483814       14.6726249936
  C         6.6482557032       18.4091777816       14.9712273775
  C         7.2654754645       18.2756990899       16.2272132407
  C         8.2433084367       17.3077565562       16.4686875647
  C         8.6460939965       16.4198948918       15.4708528041
  C         8.0500908663       16.5415855391       14.2160217903
  C         7.0829541570       17.5241401287       13.9685853354
  C         8.4236685137       15.5964869971       13.1146186996
  F         7.3129180024       15.0303778809       12.5391262217
  F         9.2159656328       14.5687480815       13.5620154072
  F         9.1081939932       16.2276586249       12.1007171388
  C         8.7837935875       17.1547984050       17.8521172231
  F         8.9101135415       18.3673771908       18.4839854039
  F        10.0145592802       16.5639477631       17.8928934318
  F         7.9539159927       16.3793132538       18.6303776257
  C         6.6346589017       20.8478570486       14.2685115721
  C         7.2155074626       21.6948047691       15.2315821543
  C         8.1647835812       22.6651629244       14.8899083912
  C         8.5897468213       22.8205767748       13.5668993491
  C         8.0391979757       21.9742371145       12.6043748604
  C         7.0865711946       21.0104135307       12.9487611766
  C         8.4039140444       22.1121373756       11.1582788466
  F         8.8235230132       20.9054386108       10.6312871965
  F         9.3802538744       23.0321240342       10.9269790978
  F         7.3247063385       22.5146246244       10.4081048601
  C         8.6821084915       23.5845924473       15.9565253446
  F         9.6015790306       24.4688092649       15.4764413887
  F         7.6876528624       24.3577236752       16.5044374498
  F         9.2705551242       22.8895740397       17.0030083192
  C         4.5420780644       19.2819121173       13.4815220726
  C         4.0524940055       17.9787668513       13.2702313153
  C         3.0834124640       17.6950372793       12.2962480748
  C         2.5595501306       18.7116858927       11.4963645670
  C         3.0185302641       20.0178687937       11.7032522045
  C         3.9792020944       20.2950305106       12.6787896195
  C         2.3989584763       21.1147221977       10.8867358160
  F         2.3720003175       20.7826191248        9.5418409435
  F         1.0898744882       21.3346657544       11.2600745919
  F         3.0364627990       22.3173093019       10.9980072317
  C         2.5088965887       16.3089177638       12.1877115461
  F         1.9323081259       16.0519459834       10.9843748992
  F         3.4285429938       15.3140692076       12.3964463904
  F         1.5223792033       16.1209768113       13.1305952004
  H         4.4369715725       17.9884253039       16.6725427244
  H         4.6103005670       22.1383365968       15.5645099749
  H         2.2997349511       20.9286334194       18.9826927490
  H         6.9798501592       18.9437289972       17.0384908215
  H         9.3855594556       15.6510804650       15.6713310091
  H         6.6571793104       17.5916962464       12.9686741131
  H         6.9179629678       21.6062309337       16.2754304733
  H         9.3101357955       23.5848907148       13.2940828806
  H         6.6843265258       20.3733597049       12.1625881679
  H         4.4297325704       17.1597599969       13.8800584126
  H         1.8062320696       18.4932136307       10.7433577598
  H         4.2984280686       21.3265291668       12.8166260040
  F        15.6186598294        1.2750876934       -0.2929766329
  C        15.6625415697        1.6685751868        1.0283521169
  F        16.9915797952        1.8962690772        1.3185708938
  F        15.0495970635        2.8841916175        1.1016001211
  C        15.0747826208        0.6116186921        1.9254741682
  C        14.2235428324        0.9231477334        2.9923079089
  C        13.7274707111       -0.0722513072        3.8628678319
  C        14.1670071066       -1.3846892578        3.6277805881
  C        15.0054831136       -1.7037923871        2.5553849858
  C        15.4642198372       -0.7128751225        1.6869387250
  C        15.4679658505       -3.1195931575        2.3835815583
  F        16.0486971605       -3.3178080293        1.1712834121
  F        14.4477562636       -4.0414134962        2.4964315062
  F        16.4091247673       -3.4512375886        3.3544184959
  B        12.7857962493        0.2710920497        5.1570474077
  C        11.7365799317        1.4842756005        4.8445284841
  C        11.1271547622        1.5971059236        3.5803517681
  C        10.1464051376        2.5569621546        3.3187475240
  C         9.7317909664        3.4565194955        4.3055092050
  C        10.3177697792        3.3534201789        5.5645659549
  C        11.2917209076        2.3802364141        5.8302203407
  C         9.9538507533        4.3111131898        6.6595516658
  F        11.0922015080        4.8782441319        7.1886265793
  F         9.1362004134        5.3319721820        6.2380933667
  F         9.3074694758        3.6817321725        7.6989808471
  C         9.6231853582        2.7202033605        1.9279075438
  F         9.4967711683        1.5339161694        1.2494056020
  F         8.4025008800        3.3409302153        1.9034663436
  F        10.4693699390        3.4761304454        1.1633119941
  C        11.7822488984       -0.9615458323        5.5498742637
  C        11.2401675262       -1.8360136697        4.5902744493
  C        10.2900803825       -2.8065467970        4.9265122770
  C         9.8254440937       -2.9391320530        6.2378950713
  C        10.3409577470       -2.0709459274        7.1988623526
  C        11.2974142952       -1.1058957148        6.8612692230
  C         9.9458932592       -2.1877995406        8.6396192482
  F         9.5858401800       -0.9740692076        9.1687910852
  F         8.9075479597       -3.0503415705        8.8702217474
  F        11.0139411132       -2.6144540309        9.3929724644
  C         9.7510012062       -3.6984477389        3.8495048484
  F         8.8175898977       -4.5678783149        4.3252544237
  F        10.7196670214       -4.4527316449        3.2285960332
  F         9.1411011567       -2.9678242685        2.8540337962
  C        13.8515868286        0.6101907144        6.3536168710
  C        14.3437626935        1.9091080794        6.5644783636
  C        15.3256744311        2.1851077696        7.5255850727
  C        15.8696932210        1.1706593206        8.3101253316
  C        15.4107325015       -0.1344757071        8.1001600424
  C        14.4270822835       -0.4069720250        7.1440755120
  C        16.0230298518       -1.2295552191        8.9222676584
  F        16.0412167282       -0.8758276306       10.2620366966
  F        17.3296071457       -1.4916885111        8.5809030834
  F        15.3720985281       -2.4177089135        8.8047452820
  C        15.8738807908        3.5757403000        7.6216276395
  F        16.4770690374        3.8575039213        8.8089919853
  F        14.9136686160        4.5287850780        7.4081183130
  F        16.8298074928        3.7882640064        6.6593197581
  H        13.9423446924        1.9632222593        3.1519114504
  H        13.8471608601       -2.1850779759        4.2939596871
  H        16.1193773536       -0.9619642101        0.8567219846
  H        11.4236398800        0.9217474880        2.7785086440
  H         8.9916555878        4.2212717582        4.0919107911
  H        11.7169261577        2.3327331503        6.8320074139
  H        11.5613844785       -1.7634374630        3.5518798225
  H         9.0959201282       -3.6972557460        6.5038726179
  H        11.6709489998       -0.4476820073        7.6443916330
  H        13.9594584093        2.7326899020        5.9646759893
  H        16.6319693650        1.3887838571        9.0538166627
  H        14.1017651475       -1.4370404036        7.0105707761
  H        10.7937474253       11.7818945073        4.6910370535
  H        11.5924705694       10.0380131181        3.1246892865
     646
 i =      149, E =         0.0000265379
 Rh         3.6489539188        0.2413712967        4.8223827608
  P         5.3921579321        0.6387848574        6.2903103814
  C         5.2309425098       -0.3107104034        7.8717673861
  C         4.8433631855       -1.7864410740        7.6561440125
  C         4.5347912441       -2.4499333678        9.0087972924
  C         5.7176066056       -2.3345625713        9.9807410046
  C         6.1831049325       -0.8797599396       10.1426597973
  C         6.4588447864       -0.2018764851        8.7892817483
  C         5.6694035918        2.4064329940        6.8111967212
  C         4.6328729353        2.8254256615        7.8772014883
  C         4.6425075764        4.3339736018        8.1726685753
  C         4.5485635763        5.1672198053        6.8916993013
  C         5.6894619840        4.8043410822        5.9386140234
  C         5.6307121721        3.3172545518        5.5646393074
  C         7.0054095044        0.0979935856        5.5224523026
  C         6.9774971393        0.2344445881        3.9907343745
  P         5.3145256620       -0.2374513081        3.2959893912
  C         5.4805497920       -2.0237692326        2.7942238559
  C         4.3978509989       -2.4031366627        1.7637270487
  C         4.3863784747       -3.9065934120        1.4655034148
  C         4.2510238905       -4.7422253122        2.7403727464
  C         5.3918279994       -4.4213783649        3.7105019666
  C         5.4228068316       -2.9223428758        4.0508601612
  C         5.1200934200        0.6995396241        1.7104438397
  C         4.8359651404        2.1985151722        1.9280301095
  C         4.4299315616        2.8446286923        0.5925980622
  C         5.5075588758        2.6470900067       -0.4847970610
  C         5.8897139381        1.1668066677       -0.6467684694
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  H        13.1515986768        9.9481784953        1.2328776298
  H        13.1256060623       12.0123933179        2.5912149964
  H        14.8302226622       12.2933094674        2.2486754533
  H        12.5592469065       12.2015084665        0.1887866031
  H        13.4457659081       13.6357609265        0.7006307821
  H        14.2609578303       12.7522102378       -1.5120973376
  H        15.5369822834       12.7698877658       -0.3024904875
  H        15.2769318904        8.9861214443        0.3551698334
  H        16.1557506385       10.4146119040        0.8885954427
  H        13.9037455471       10.3298331373       -1.1941897130
  H        15.6177566137       10.6173180913       -1.5156590467
  H        13.2756594566        9.6690866004        8.2501445645
  H        12.9344099417        7.5547855974        6.9591446517
  H        14.6233262737        7.1239269075        7.2209935455
  H        13.1263851841        6.0476705909        8.9355900383
  H        12.5344298451        7.6336774093        9.4145391860
  H        14.2895311971        6.8916411888       11.0071957460
  H        15.4223619170        6.6278101225        9.6894174177
  H        15.9449377370        8.7970512631       10.7381982599
  H        14.2595950044        9.3169288872       10.5960651812
  H        16.2201854016        8.8395269881        8.2847873281
  H        15.6161696498       10.3923773688        8.8497694447
  H        10.0274446345       10.0374264404        2.4620248749
  H        11.2109160604        9.4498471070        7.2021328905
  H         9.0917611378       10.7055407060        6.4487257332
  H         8.0362540995        9.3624257657        4.3422900533
  H         8.5378885552        8.2206018610        5.6279953775
  H        10.0031317315        7.7481851895        3.4331651771
  H         9.1546890034       11.5852313161        4.0570730357
  H        11.6106233667        7.4211132996        5.4575845779
  F         8.5024541922       11.5984145597        1.4656109040
  C         7.2277925737       11.2411899078        1.0647534390
  F         6.4847444194       12.3779693697        1.0305736422
  F         7.3491610785       10.8245875050       -0.2359599508
  C         6.6267507170       10.1720332260        1.9261029457
  C         6.9966819773        8.8484931656        1.6666098460
  C         6.4460327950        7.8480915548        2.4607352427
  C         5.5457767169        8.1611920219        3.4926182927
  C         5.1579770909        9.4850754626        3.7737623450
  C         5.7339353572       10.4832226691        2.9567541071
  B         4.2404300965        9.8990462505        5.0768086482
  C         3.2170273710        8.7122151501        5.5721828856
  C         2.5864706698        7.8532269493        4.6584872872
  C         1.6588056246        6.8798400780        5.0587826374
  C         1.2946600428        6.7383318374        6.3996861566
  C         1.8884502078        7.6062449921        7.3251379166
  C         2.8253259806        8.5649397338        6.9172179376
  C         1.5837859386        7.5069913619        8.7953399587
  F         0.6297100838        6.5792791389        9.0909234962
  F         2.6870946873        7.1595773150        9.5339617312
  F         1.1748615671        8.7179799523        9.3118871170
  C         1.1561572554        5.9764564451        3.9696632588
  F         2.1807583539        5.2391428739        3.4407406317
  F         0.1941012251        5.0745807007        4.3301655467
  F         0.6518505508        6.7256528996        2.9281230177
  C         5.3442053252       10.2464558034        6.2203596541
  C         5.8981454774        9.1906662295        6.9500538381
  C         6.8568744381        9.3859211267        7.9449288751
  C         7.3158846211       10.6706018323        8.2510911236
  C         6.8185611053       11.7408881561        7.4916155958
  C         5.8568792236       11.5264180677        6.4936362810
  C         7.3343858739       13.1427894885        7.6993547866
  F         7.8477427138       13.3444036676        8.9474670728
  F         6.3557799532       14.0812212079        7.4845029269
  F         8.3398209608       13.4811949857        6.8170075485
  C         7.2735616947        8.1352002167        8.6614211456
  F         8.4344589143        8.2299282562        9.3839318707
  F         7.4254321396        7.1001095919        7.7768682148
  F         6.2867297676        7.7316739453        9.5347894506
  C         3.2317118524       11.1414568356        4.7872716537
  C         2.6313464751       11.2887102514        3.5293291161
  C         1.6666411181       12.2676638380        3.2885620818
  C         1.2701258906       13.1633480949        4.2812760155
  C         1.8558148808       13.0324597624        5.5377562346
  C         2.8050606938       12.0300330584        5.7901709119
  C         1.1058542639       12.3797221060        1.9155029876
  F         1.0153884808       11.1552528784        1.3117852510
  F         1.8933244023       13.1555688773        1.0974541618
  F        -0.1575389299       12.9027022426        1.9036013905
  C         6.8215864397        6.4135642888        2.2179823477
  F         7.6152633062        6.2390590323        1.1139365183
  F         7.4984970891        5.8848220709        3.2979073570
  F         5.7122294301        5.6252331728        2.0530703953
  F         0.7126523711       15.0294837586        6.2355109418
  F         0.8947967191       13.3791275917        7.6960891159
  F         2.6779215073       14.5684524237        7.1196582560
  C         1.5258697607       13.9969409520        6.6377188600
  H         7.6879374932        8.6047197506        0.8649421216
  H         5.1414126831        7.3468332434        4.0925512224
  H         5.4791308551       11.5277616596        3.1304716436
  H         2.8274369563        7.9309186395        3.5987975256
  H         0.5917056726        5.9714018983        6.7132181923
  H         3.2708516746        9.2061845928        7.6762864916
  H         5.5693599440        8.1752388848        6.7395931476
  H         8.0494507787       10.8354556926        9.0334769390
  H         5.4889647837       12.3839435412        5.9327138666
  H         2.9117027765       10.6181413060        2.7189044609
  H         0.5397382288       13.9403803001        4.0771989637
  H         3.2221700461       11.9514842470        6.7936347788
  F         9.9827931777        8.3886853348       18.4854899972
  C        11.2757929941        8.6559483664       18.8871044259
  F        11.9352194817        7.4692115986       18.8445257940
  F        11.2165444728        9.0173814371       20.2226940240
  C        11.8821675923        9.7245168156       18.0214983666
  C        11.4393835150       11.0395484226       18.2028006188
  C        11.8888403148       12.0127764303       17.3106488933
  C        12.7686823107       11.6835055379       16.2711122621
  C        13.2425346550       10.3738431868       16.0774463494
  C        12.7616677142        9.4014163283       16.9802083527
  B        14.1541270307        9.9818770545       14.7700753441
  C        15.1599659199       11.1871087411       14.3001053073
  C        15.7611627624       12.0581176501       15.2242888066
  C        16.7005751834       13.0218093652       14.8367681627
  C        17.0861171074       13.1510528855       13.4975751246
  C        16.5062230150       12.2864321664       12.5612098429
  C        15.5687275065       11.3264379399       12.9600270665
  C        16.8420773042       12.3972781200       11.0968598883
  F        17.8574455054       13.2699495855       10.8525538777
  F        15.7543800834       12.8159983381       10.3459881626
  F        17.2353974629       11.1907160113       10.5611577528
  C        17.2385830170       13.9424668279       15.8966025518
  F        16.2460568800       14.6728337315       16.4976523464
  F        18.1482618639       14.8384863878       15.4057447055
  F        17.8385852513       13.2541710033       16.9334366393
  C        13.0472111826        9.6454207135       13.5994282191
  C        12.4461907691       10.6746754599       12.8453456931
  C        11.4659372763       10.4124287711       11.8788771593
  C        11.0444411519        9.1068139959       11.6267586481
  C        11.6011549989        8.0759640771       12.3854666878
  C        12.5729584410        8.3415068914       13.3557945770
  C        11.0269807919        6.6992967316       12.2313738351
  F        10.4971390186        6.4947602739       10.9940738504
  F        11.9227859748        5.6913707450       12.4654346563
  F        10.0060461920        6.4974167562       13.1315304555
  C        10.9016199395       11.5267491861       11.0438203861
  F         9.7393115461       11.1775778026       10.4114356773
  F        10.6240688186       12.6598486702       11.7440221955
  F        11.7670476919       11.8877343709       10.0449820645
  C        15.1898087607        8.7405693281       15.0508024470
  C        15.8548887564        8.5664590762       16.2865756262
  C        16.8098054157        7.5592666560       16.4636807765
  C        17.1178646190        6.6710439379       15.4295383269
  C        16.4816827828        6.8321520012       14.2066002046
  C        15.5555600142        7.8635120075       14.0141072726
  C        17.4840268965        7.2670674694       17.7702187885
  F        17.6134498099        8.3290051519       18.6222341129
  F        16.7936343399        6.3146371684       18.4804881572
  F        18.7591276280        6.7892911900       17.5408129878
  C        11.3920111787       13.4254633541       17.4307156751
  F        10.7857848888       13.6684415544       18.6260730396
  F        10.4814431891       13.7338604721       16.4321437739
  F        12.4023131012       14.3404524391       17.3058541663
  F        17.6305930856        4.8721573899       13.4875090770
  F        17.3766718931        6.5267538020       12.0282003016
  F        15.6567891131        5.2690348708       12.6113381257
  C        16.7876523729        5.8814290973       13.0907366168
  H        10.7498358732       11.2953720895       19.0024281615
  H        13.0884329582       12.4722460238       15.5912972758
  H        13.0669465676        8.3640178217       16.8582319176
  H        15.4885913704       11.9914502594       16.2765742926
  H        17.7987823010       13.9113556070       13.1927173383
  H        15.1417275895       10.6729300358       12.2008222753
  H        12.7466960858       11.7081980240       13.0151050786
  H        10.2845409441        8.8982543660       10.8798441854
  H        12.9657480401        7.5104747983       13.9386372003
  H        15.6268388728        9.2296489266       17.1205395209
  H        17.8312467419        5.8693709821       15.5821719275
  H        15.1048384212        7.9767277196       13.0292474079
  F         2.7317637564       18.6332328775       20.0998324571
  C         2.7307193641       18.2907057192       18.7679279813
  F         1.4067740672       18.0788125236       18.4736711489
  F         3.3592715744       17.0875991349       18.6313586445
  C         3.3386269629       19.3554149458       17.9099271692
  C         4.1816214902       19.0328583448       16.8414036268
  C         4.6939360500       20.0195146779       15.9746562504
  C         4.2786427520       21.3391232745       16.2258838400
  C         3.4390223700       21.6636817728       17.2990219423
  C         2.9634613424       20.6782026102       18.1595193231
  C         2.9234605638       23.0644612047       17.4347331435
  F         2.2996760855       23.2922094021       18.6244811804
  F         3.9023274422       24.0238407929       17.3053864035
  F         1.9924196491       23.2936196626       16.4316639045
  B         5.6121740774       19.6361455785       14.6727268501
  C         6.6483053004       18.4090547093       14.9711910574
  C         7.2652839508       18.2758759023       16.2272670517
  C         8.2434241583       17.3076473159       16.4687497836
  C         8.6460985035       16.4198494150       15.4706665449
  C         8.0500356412       16.5417258628       14.2162114921
  C         7.0830217036       17.5240660052       13.9687269241
  C         8.4237001313       15.5963466599       13.1144568431
  F         7.3130114762       15.0304666342       12.5392166006
  F         9.2159243143       14.5688142044       13.5620173078
  F         9.1081317416       16.2276375005       12.1008038471
  C         8.7838159282       17.1548251745       17.8521909853
  F         8.9101028147       18.3672913977       18.4839169247
  F        10.0145038298       16.5639763283       17.8928691928
  F         7.9539387179       16.3793363118       18.6303359975
  C         6.6347466108       20.8479074410       14.2685083251
  C         7.2156464189       21.6948401953       15.2313726902
  C         8.1646896562       22.6650126657       14.8898128007
  C         8.5897270570       22.8206154957       13.5670411121
  C         8.0392392228       21.9742588759       12.6043023704
  C         7.0864974926       21.0103198519       12.9488695849
  C         8.4039587498       22.1121848111       11.1582067388
  F         8.8235098484       20.9054525156       10.6313149872
  F         9.3801701241       23.0320372350       10.9270207317
  F         7.3247414709       22.5146000036       10.4081480247
  C         8.6821574459       23.5846913629       15.9565885183
  F         9.6015580244       24.4687822398       15.4764488568
  F         7.6876796190       24.3576798283       16.5044089197
  F         9.2705426288       22.8895661959       17.0029973264
  C         4.5419230443       19.2818120484       13.4813814417
  C         4.0522690779       17.9791509953       13.2699013406
  C         3.0835668891       17.6952924010       12.2963326881
  C         2.5595552519       18.7112933207       11.4964434913
  C         3.0183194145       20.0180521545       11.7029847251
  C         3.9795345591       20.2950066037       12.6791493185
  C         2.3990113070       21.1148079318       10.8867434478
  F         2.3720189615       20.7826107186        9.5419242327
  F         1.0899259255       21.3346494988       11.2601053326
  F         3.0363668228       22.3171580648       10.9980158060
  C         2.5088275613       16.3088114541       12.1876322494
  F         1.9323301424       16.0519606271       10.9844046665
  F         3.4285389617       15.3141088141       12.3964525179
  F         1.5223801263       16.1209837389       13.1306146310
  H         4.4368760031       17.9888348707       16.6725838600
  H         4.6104017138       22.1383433285       15.5644878827
  H         2.2995659781       20.9286306560       18.9828076155
  H         6.9798410309       18.9436225119       17.0384539110
  H         9.3856013395       15.6511368693       15.6713257424
  H         6.6570998253       17.5916621163       12.9686074300
  H         6.9179700191       21.6061580950       16.2755909095
  H         9.3100968644       23.5849184455       13.2940596383
  H         6.6843475746       20.3733283591       12.1625777435
  H         4.4298368047       17.1595137941       13.8802474218
  H         1.8062667044       18.4932580832       10.7433727210
  H         4.2983911567       21.3264837243       12.8166046848
  F        15.6186651082        1.2750961021       -0.2930712253
  C        15.6625010687        1.6684352617        1.0284225017
  F        16.9916878089        1.8963165521        1.3185784216
  F        15.0495345238        2.8843211032        1.1015913984
  C        15.0747742268        0.6116465699        1.9254874882
  C        14.2235693884        0.9231879013        2.9921967364
  C        13.7273843182       -0.0722576868        3.8629104733
  C        14.1670292099       -1.3847681245        3.6276675482
  C        15.0054218146       -1.7037992561        2.5554624137
  C        15.4642638195       -0.7128492877        1.6869550080
  C        15.4679729466       -3.1195875163        2.3835710155
  F        16.0486940825       -3.3178110100        1.1712916275
  F        14.4477546289       -4.0414105321        2.4964352134
  F        16.4091185999       -3.4512377175        3.3544152510
  B        12.7857442009        0.2711234108        5.1570008193
  C        11.7367656177        1.4841146673        4.8445387527
  C        11.1269967440        1.5971867497        3.5800488751
  C        10.1465007274        2.5569162652        3.3188670290
  C         9.7318132420        3.4564827919        4.3054624208
  C        10.3177977472        3.3534079745        5.5645819064
  C        11.2916383854        2.3804448597        5.8304467798
  C         9.9538925079        4.3110306683        6.6594552575
  F        11.0922526651        4.8782943096        7.1886766051
  F         9.1361602222        5.3320376983        6.2380923764
  F         9.3074063223        3.6817092502        7.6990719873
  C         9.6231640978        2.7202268983        1.9278708251
  F         9.4967721320        1.5338965053        1.2493928061
  F         8.4025132814        3.3409198407        1.9034665196
  F        10.4693728937        3.4761346630        1.1633059085
  C        11.7822150311       -0.9615087984        5.5498766689
  C        11.2401083612       -1.8359696193        4.5902639577
  C        10.2901020640       -2.8065178482        4.9264298021
  C         9.8253730801       -2.9392317217        6.2379768574
  C        10.3410485301       -2.0708475845        7.1988310043
  C        11.2973142872       -1.1059764063        6.8612182230
  C         9.9458689662       -2.1878089823        8.6396588595
  F         9.5858581107       -0.9741007055        9.1687598050
  F         8.9075594875       -3.0503327139        8.8702185876
  F        11.0139325550       -2.6144450514        9.3929571176
  C         9.7509816984       -3.6984673069        3.8495073103
  F         8.8176125893       -4.5678590682        4.3252396037
  F        10.7196491131       -4.4527091739        3.2286152447
  F         9.1411164816       -2.9678326133        2.8540487357
  C        13.8516944096        0.6101800698        6.3537055047
  C        14.3437051843        1.9089200684        6.5644355581
  C        15.3257850114        2.1850935337        7.5256778618
  C        15.8695262897        1.1706234150        8.3099153817
  C        15.4109138788       -0.1344892344        8.1003287968
  C        14.4269428642       -0.4067653145        7.1438898632
  C        16.0229942109       -1.2295144808        8.9222066993
  F        16.0412198415       -0.8758299206       10.2620207137
  F        17.3295877053       -1.4916828282        8.5809230355
  F        15.3721110520       -2.4177153269        8.8047622573
  C        15.8738307239        3.5757795588        7.6215427551
  F        16.4771064469        3.8575184953        8.8090398023
  F        14.9137248507        4.5287289588        7.4081476625
  F        16.8297997393        3.7882553598        6.6593318354
  H        13.9422906908        1.9632060808        3.1518672017
  H        13.8470671362       -2.1850845352        4.2938873264
  H        16.1194788730       -0.9619536046        0.8567777844
  H        11.4236440862        0.9218253229        2.7785639429
  H         8.9916111419        4.2213197579        4.0919025740
  H        11.7169027741        2.3327361510        6.8319060485
  H        11.5612832430       -1.7633545957        3.5518518207
  H         9.0960216194       -3.6972561068        6.5038642956
  H        11.6709440902       -0.4476166564        7.6444172519
  H        13.9594457301        2.7327538544        5.9646131401
  H        16.6320705774        1.3887861465        9.0538347387
  H        14.1017203514       -1.4371251004        7.0105705425
  H        10.7936838336       11.7820078686        4.6906035059
  H        11.5923899719       10.0377822131        3.1246325152
     646
 i =      150, E =         0.0031388958
 Rh         3.6491213480        0.2414247819        4.8224414438
  P         5.3922751060        0.6387966486        6.2904156162
  C         5.2309983897       -0.3109228827        7.8717393066
  C         4.8436196949       -1.7866331096        7.6558928892
  C         4.5347866601       -2.4503333328        9.0083286468
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  F         7.3491707339       10.8245918562       -0.2360056516
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  C         5.1580217353        9.4851735059        3.7739983395
  C         5.7340806620       10.4833256033        2.9568151070
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  F         2.6871394286        7.1595508767        9.5340505290
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  F         0.1939710328        5.0744722619        4.3301879451
  F         0.6517944592        6.7257075546        2.9280058967
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  C         5.8979853707        9.1906832850        6.9502806237
  C         6.8568441747        9.3859024931        7.9450022236
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  C         5.8569553102       11.5264169341        6.4936592981
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  F         6.3557491579       14.0812681559        7.4844923599
  F         8.3398623851       13.4812177756        6.8169850485
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  F         7.4254369850        7.1000876452        7.7768585827
  F         6.2867148010        7.7316439915        9.5348210779
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  C         2.6310725374       11.2892265054        3.5293984682
  C         1.6671145020       12.2670599580        3.2884466830
  C         1.2694970849       13.1638304975        4.2811429742
  C         1.8562752425       13.0321413194        5.5381655266
  C         2.8048798875       12.0304078404        5.7898099432
  C         1.1057430064       12.3798015500        1.9154735965
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  F         1.8933252977       13.1555412128        1.0974781216
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  F         7.4985425899        5.8847638101        3.2979529385
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  H         3.2224780285       11.9517192488        6.7936682812
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  F        11.2165424490        9.0173731720       20.2226966447
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  C        11.4394285097       11.0395734772       18.2028739142
  C        11.8888735777       12.0127703176       17.3106472901
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  C        13.2425082201       10.3738058636       16.0774046177
  C        12.7615997193        9.4013555387       16.9801411733
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  C        15.7611039188       12.0581402356       15.2242518071
  C        16.7005571311       13.0218031446       14.8367207221
  C        17.0861148780       13.1510403096       13.4976125337
  C        16.5062056204       12.2863860043       12.5612337939
  C        15.5687466619       11.3263727009       12.9600204491
  C        16.8421413644       12.3972999037       11.0967952864
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  F        15.7543894020       12.8159920102       10.3460040811
  F        17.2353741511       11.1907466359       10.5611904132
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  F        18.1482920210       14.8385125240       15.4057311932
  F        17.8385942533       13.2541693188       16.9334395001
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  C        12.4461027494       10.6747420298       12.8452594930
  C        11.4659467250       10.4124740672       11.8788418106
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  F        11.9227878237        5.6913705628       12.4654526076
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  F        10.6240244621       12.6599631576       11.7440491985
  F        11.7670784522       11.8877898488       10.0448977490
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  C        15.8548098419        8.5664203602       16.2864961028
  C        16.8097470802        7.5593672780       16.4636810091
  C        17.1179929668        6.6709884296       15.4294210063
  C        16.4816669831        6.8321345980       14.2065792828
  C        15.5554776345        7.8634885354       14.0143304730
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  F        16.7936811974        6.3147154037       18.4803944768
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  F        10.4814259723       13.7338692290       16.4321362549
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  F        17.3767035287        6.5267553319       12.0281598123
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  H        10.7499817779       11.2953852298       19.0025543665
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  H        17.8313729460        5.8695597734       15.5820845436
  H        15.1045921280        7.9765746894       13.0292069076
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  C         7.2652152391       18.2757435598       16.2273031516
  C         8.2433903682       17.3076561250       16.4687444328
  C         8.6462341735       16.4198377527       15.4706488331
  C         8.0500000070       16.5417443916       14.2162232708
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  F        14.4477497074       -4.0414018321        2.4964356933
  F        16.4091064330       -3.4512300276        3.3544010281
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  C        11.1270339928        1.5972370068        3.5799256606
  C        10.1464648349        2.5570097889        3.3188391946
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  C        14.4269782961       -0.4066839169        7.1438991900
  C        16.0229869480       -1.2294769833        8.9221645984
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  F        17.3295581402       -1.4916758670        8.5809397137
  F        15.3721194156       -2.4176951849        8.8047629384
  C        15.8738215380        3.5758232277        7.6214778307
  F        16.4771401129        3.8575386978        8.8090700726
  F        14.9137813143        4.5286486308        7.4081694381
  F        16.8297882354        3.7882471273        6.6593301452
  H        13.9420925246        1.9631775467        3.1516807687
  H        13.8467247379       -2.1851246905        4.2935986088
  H        16.1198537191       -0.9619082684        0.8569951833
  H        11.4236803263        0.9219888475        2.7785164696
  H         8.9915414451        4.2213919750        4.0918816623
  H        11.7169108175        2.3327835295        6.8318566838
  H        11.5608994935       -1.7630354332        3.5517525192
  H         9.0962196224       -3.6974447072        6.5039177239
  H        11.6708401140       -0.4475091943        7.6443610140
  H        13.9594571846        2.7327905809        5.9644868999
  H        16.6321467455        1.3887293795        9.0535972692
  H        14.1015972861       -1.4371607273        7.0105604130
  H        10.7933553670       11.7823666391        4.6889323559
  H        11.5920807142       10.0369092827        3.1244218562
     646
 i =      151, E =         0.0006926902
 Rh         3.6492701772        0.2414623960        4.8224814855
  P         5.3923816001        0.6388062895        6.2904868003
  C         5.2310308806       -0.3110525809        7.8717657177
  C         4.8437488323       -1.7868187520        7.6555878480
  C         4.5347880543       -2.4506100994        9.0080067243
  C         5.7174364649       -2.3356356944        9.9801451336
  C         6.1828092086       -0.8808704397       10.1426750229
  C         6.4586652168       -0.2022884534        8.7896471971
  C         5.6694380523        2.4064684501        6.8114481124
  C         4.6327306576        2.8257053213        7.8771479472
  C         4.6435041041        4.3341622112        8.1728951315
  C         4.5489657602        5.1674422294        6.8919572175
  C         5.6891395311        4.8043722195        5.9380544635
  C         5.6306807990        3.3170921152        5.5646989686
  C         7.0056779652        0.0983235939        5.5225259276
  C         6.9777404060        0.2346946367        3.9907764037
  P         5.3147586240       -0.2374991227        3.2961339177
  C         5.4814202046       -2.0237941000        2.7944000462
  C         4.3987530712       -2.4032580410        1.7637717655
  C         4.3868052442       -3.9068755111        1.4660369005
  C         4.2513771165       -4.7420755509        2.7412533259
  C         5.3927248706       -4.4212753339        3.7108301164
  C         5.4234856312       -2.9222194566        4.0511968251
  C         5.1196426382        0.6992550828        1.7105280454
  C         4.8352987019        2.1981828769        1.9282698752
  C         4.4299406756        2.8448158892        0.5928962495
  C         5.5081338824        2.6475592286       -0.4839048417
  C         5.8893619393        1.1671721739       -0.6466809778
  C         6.2603536714        0.5105536954        0.6962965022
  C         1.8894920828        0.3178197188        3.4715003484
  C         1.9128667491       -0.9291511162        4.1023314215
  C         1.0803653599       -0.7902119171        5.3917301082
  C         1.9511568251        0.1443553521        6.2593417916
  C         1.9268294360        1.3904874046        5.6311382327
  C         1.0409841255        1.2373304484        4.3781601131
  C        -0.0015529338        0.2128694928        4.9050036145
  H         4.3786434197        0.1810164661        8.3691965556
  H         5.6703595083       -2.3216819631        7.1640001038
  H         3.9784181975       -1.8588778631        6.9795405072
  H         4.2644522246       -3.5054732180        8.8577724932
  H         3.6500178233       -1.9648503096        9.4449912790
  H         5.4392884704       -2.7524785890       10.9591072794
  H         6.5529436189       -2.9477221081        9.6141522370
  H         7.0917608889       -0.8346943397       10.7608476547
  H         5.4044469374       -0.3099995872       10.6729400016
  H         6.7473334804        0.8450224613        8.9481695607
  H         7.3138075240       -0.6892110053        8.3033356786
  H         6.6767463351        2.4617108375        7.2554060068
  H         4.8155783410        2.2748650393        8.8095026816
  H         3.6264992186        2.5347249252        7.5443750319
  H         5.5681861101        4.5996872925        8.7052541207
  H         3.8140068694        4.5695705448        8.8551056615
  H         4.5669526070        6.2379868678        7.1390617544
  H         3.5851273376        4.9866640515        6.3932615916
  H         6.6525081057        5.0319219373        6.4143087191
  H         5.6457836711        5.4065904040        5.0210313564
  H         6.4608600704        3.0658843713        4.8879457609
  H         4.7031279268        3.1170913863        5.0036569170
  H         7.8430894493        0.6617903930        5.9587736030
  H         7.1469852327       -0.9531357528        5.8106200026
  H         7.7705429757       -0.3646055594        3.5204728753
  H         7.1482225755        1.2795797571        3.6955294378
  H         6.4714256962       -2.1375721558        2.3239127497
  H         4.5529769506       -1.8482356646        0.8283683276
  H         3.4087515127       -2.1035262986        2.1326214649
  H         5.3180790583       -4.1808271971        0.9499293627
  H         3.5658038658       -4.1253302615        0.7712265969
  H         4.2386739630       -5.8110913911        2.4882884847
  H         3.2839333741       -4.5350855026        3.2226963389
  H         5.2880076920       -4.9940722683        4.6444484400
  H         6.3515045606       -4.7217784823        3.2638046276
  H         6.2818925963       -2.7094487313        4.7044556159
  H         4.5228232626       -2.6605151272        4.6296253553
  H         4.2041110677        0.2564103939        1.2834000132
  H         5.7347481568        2.6961541982        2.3202237015
  H         4.0456281668        2.3322211903        2.6836769328
  H         4.2266130260        3.9149257779        0.7386558633
  H         3.4847442292        2.3942997443        0.2542532629
  H         6.4030323460        3.2278567798       -0.2153285015
  H         5.1558818906        3.0529376821       -1.4438759292
  H         6.7308989157        1.0656443848       -1.3477511848
  H         5.0414789914        0.6193428234       -1.0883998052
  H         7.1747678924        0.9723251962        1.0899731104
  H         6.4867919132       -0.5525446739        0.5438601007
  H         2.1253260881        0.5296854387        2.4323906427
  H         2.1791145222       -1.8849486696        3.6609249542
  H         0.7613114391       -1.7242891049        5.8596211398
  H         2.2426980492       -0.0677296645        7.2839121544
  H         2.2068041637        2.3479831590        6.0605438171
  H         0.6832867151        2.1660451462        3.9268026458
  H        -0.6191983573        0.6071199798        5.7184024079
  H        -0.6346723612       -0.1976492848        4.1114426226
 Rh        14.7202152841       19.6382428331       14.9736613144
  P        12.9628907186       19.2102081693       13.5236232674
  C        13.1369184570       20.1910673787       11.9587894592
  C        13.5116777048       21.6638874822       12.2123608014
  C        13.8471383429       22.3642716883       10.8852377796
  C        12.6861395181       22.2642198926        9.8859382995
  C        12.2456990232       20.8078092007        9.6760586984
  C        11.9370351952       20.0938391906       11.0048884284
  C        12.6749668374       17.4542572702       12.9683242995
  C        13.6912829728       17.0368653107       11.8839521947
  C        13.6158438430       15.5366474699       11.5595932703
  C        13.7777064076       14.6910362426       12.8256009672
  C        12.6808392651       15.0370823565       13.8369020587
  C        12.7148621394       16.5288244336       14.2051686216
  C        11.3438111312       19.7171876456       14.3130445367
  C        11.4072770169       19.6614626342       15.8504485735
  P        13.0786647916       20.1655443696       16.5042111114
  C        12.9053234861       21.9614716132       16.9591839007
  C        13.9830196173       22.4023356954       17.9718675255
  C        13.9878506030       23.9238195145       18.1862680451
  C        14.0962944667       24.6913727234       16.8653684366
  C        12.9500705101       24.3062849566       15.9274752450
  C        12.9636352236       22.7956154784       15.6604403883
  C        13.3279285165       19.2286514450       18.0827371102
  C        13.6068951801       17.7377615633       17.8062757547
  C        14.0269788518       17.0237619068       19.0995216590
  C        12.9656381648       17.1843715017       20.1985331487
  C        12.6204398154       18.6632763915       20.4406548008
  C        12.2249962548       19.3918060354       19.1408313832
  C        16.4565924971       19.6209323051       16.3492943557
  C        16.4715881223       20.8182277988       15.6274142291
  C        17.3210810034       20.5621414512       14.3667663247
  C        16.4393457176       19.5874138958       13.5548935022
  C        16.4202978616       18.3919160930       14.2750611617
  C        17.2926290225       18.6152635891       15.5275316294
  C        18.3704636707       19.5733797757       14.9462529512
  H        14.0052020743       19.7126736805       11.4753049124
  H        12.6698830144       22.1823692919       12.6951857248
  H        14.3607264235       21.7237709264       12.9103659662
  H        14.1030604703       23.4166856976       11.0717536845
  H        14.7473210220       21.8993733419       10.4561831112
  H        12.9772481799       22.7120896727        8.9242444050
  H        11.8348625763       22.8543930192       10.2534196440
  H        11.3570104447       20.7656357048        9.0289564647
  H        13.0476325358       20.2604772910        9.1561799357
  H        11.6652015844       19.0481043664       10.8121213217
  H        11.0618399137       20.5594555537       11.4761892762
  H        11.6639551642       17.4176706709       12.5304098845
  H        13.5190631753       17.6177644210       10.9679794994
  H        14.7116204121       17.2799235482       12.2149058943
  H        12.6466800289       15.3074110099       11.0929603851
  H        14.3871062030       15.2868706835       10.8169363013
  H        13.7576195947       13.6211839175       12.5748288068
  H        14.7654807453       14.8767704592       13.2739655481
  H        11.7003611707       14.7738900377       13.4163018456
  H        12.7957228198       14.4491969987       14.7575080884
  H        11.8761771841       16.7666798903       14.8770134843
  H        13.6337660235       16.7399421409       14.7756832340
  H        10.5306628552       19.0822926468       13.9319904634
  H        11.1298216716       20.7399943844       13.9723684069
  H        10.6213622859       20.2816399535       16.3051577878
  H        11.2441846776       18.6328511404       16.2018586471
  H        11.9121490406       22.0891905633       17.4191495286
  H        13.8244881524       21.8996671429       18.9360920879
  H        14.9766489115       22.0869717575       17.6242824265
  H        13.0635654041       24.2219837644       18.7019206141
  H        14.8189146125       24.1889074786       18.8534354457
  H        14.0990012923       25.7723336770       17.0596666104
  H        15.0594806876       24.4734796325       16.3804477364
  H        13.0265810671       24.8359548779       14.9671988470
  H        11.9888405694       24.5993082639       16.3724465575
  H        12.1316015758       22.5215660134       14.9963091023
  H        13.8868601275       22.5331097952       15.1191550493
  H        14.2547705188       19.6702491815       18.4868797801
  H        12.6999929028       17.2601068522       17.4060158157
  H        14.3827905082       17.6363872548       17.0310110565
  H        14.2092937270       15.9595924725       18.8913077694
  H        14.9856192239       17.4400440894       19.4445079788
  H        12.0559310696       16.6388298195       19.9072992581
  H        13.3159375783       16.7215274261       21.1324105448
  H        11.7996676857       18.7463692901       21.1683539735
  H        13.4910805092       19.1708800011       20.8861102225
  H        11.2841480005       18.9730804058       18.7592430904
  H        12.0356923941       20.4527456732       19.3478996664
  H        16.2084922815       19.4960501487       17.3996728245
  H        16.2205495505       21.8096262869       15.9934336455
  H        17.6720108677       21.4502428252       13.8357009602
  H        16.1667782814       19.7282950780       12.5135263865
  H        16.1153431772       17.4122029509       13.9159029230
  H        17.6166728850       17.7146123589       16.0542241993
  H        18.9937460636       19.1053241920       14.1767333272
  H        18.9992847782       20.0276403338       15.7210099903
 Rh         5.9521873206       10.0596407171       14.9877180392
  P         4.1619567562        9.6045183977       13.5929820630
  C         3.8052798886        7.8500516682       13.0845632835
  C         3.7399354144        6.9300118690       14.3222146898
  C         3.6848345915        5.4438676867       13.9322847604
  C         4.8665661461        5.0683573573       13.0355050603
  C         4.8130563819        5.8932741811       11.7488682810
  C         4.8546798040        7.3980155431       12.0513625260
  C         2.5778227093       10.2038606840       14.3695358011
  C         2.6460429357       10.1080396166       15.9009754118
  P         4.3272620803       10.6017213416       16.5340640067
  C         4.1496435365       12.3795368326       17.0396109654
  C         4.0177195741       13.2628811205       15.7793497710
  C         4.0839169412       14.7636575712       16.0990187895
  C         5.3684072565       15.0894712596       16.8648384503
  C         5.4055122446       14.2968972694       18.1733156737
  C         5.3407861424       12.7854890851       17.9310689663
  C         4.5637802772        9.6602222441       18.1108251966
  C         4.9002117049        8.1808554975       17.8410409434
  C         5.1986283703        7.4531103664       19.1592686222
  C         4.0166390572        7.5661487384       20.1325027759
  C         3.3899669654        9.8054767703       19.0930179719
  C         3.6620314936        9.0370409364       20.3983884736
  C         4.3602325569       10.5602044628       12.0170495062
  C         4.7118390942       12.0374397145       12.2799585219
  C         5.0296274458       12.7610758944       10.9613072455
  C         3.8797130375       12.6318570606        9.9521560407
  C         3.4894591623       11.1642008976        9.7261331454
  C         3.1764476967       10.4416349425       11.0483934020
  C         7.7813746544       11.1875466675       15.5568051432
  C         7.5753767119        8.6922386462       14.3580002520
  C         8.4711116313        8.9393669775       15.5891946089
  C         9.5991649743        9.7914744331       14.9445000306
  C         8.6058213883       10.8058505680       14.3113065861
  C         7.7053228059       10.0421998429       16.3526659991
  C         7.6582401545        9.8398842926       13.5649868788
  H         2.8145201346        7.8544400599       12.6002076405
  H         4.6260572961        7.1040677032       14.9529252444
  H         2.8645558693        7.1879044411       14.9366106280
  H         2.7481182391        5.2285169713       13.4002734648
  H         3.6693165299        4.8391484591       14.8460935572
  H         5.8118037580        5.2539741228       13.5679668674
  H         4.8594704514        3.9950838706       12.7998483874
  H         5.6433278788        5.6380008084       11.0762561525
  H         3.8875662837        5.6510769068       11.2070402821
  H         4.7013271854        7.9595848786       11.1247628672
  H         5.8623275865        7.6582320814       12.4071701603
  H         2.4479268858       11.2482863103       14.0538072236
  H         1.7216068973        9.6410989003       13.9704939129
  H         1.8673872243       10.7201573008       16.3781203417
  H         2.4869589192        9.0705000692       16.2260262372
  H         3.2200889284       12.4653467713       17.6253910142
  H         4.8303354320       13.0103882127       15.0801468576
  H         3.0758490122       13.0329333559       15.2615564815
  H         4.0187872528       15.3322891337       15.1598307026
  H         3.2130813987       15.0583060365       16.7018828572
  H         5.4455648657       16.1642618124       17.0756516641
  H         6.2438663485       14.8404583760       16.2459474435
  H         6.3107894488       14.5294694269       18.7475671933
  H         4.5507053159       14.5988681440       18.7949399980
  H         6.2813239026       12.4559915341       17.4670545867
  H         5.2781019338       12.2648166838       18.8966001615
  H         5.4557023760       10.1236828148       18.5640712638
  H         5.7550337803        8.1142956390       17.1502921641
  H         4.0549422203        7.6895168528       17.3380343825
  H         6.0950394561        7.8971512982       19.6166401359
  H         5.4426374558        6.3998985228       18.9592847029
  H         4.2470455649        7.0556721679       21.0777116959
  H         3.1456325065        7.0494569114       19.7038208836
  H         3.1983621946       10.8640930687       19.3108084867
  H         2.4777203666        9.4097462243       18.6285560455
  H         4.4945586757        9.5187532483       20.9356119152
  H         2.7800234894        9.1075330936       21.0517767266
  H         5.2401966103       10.0893069110       11.5478100680
  H         5.5641629203       12.1028112615       12.9755354300
  H         3.8641771477       12.5361002765       12.7738792162
  H         5.2448896620       13.8199886897       11.1615833867
  H         5.9490260930       12.3356714092       10.5334323866
  H         4.1608752016       13.1011710674        8.9979087559
  H         3.0056870855       13.1862654509       10.3207882361
  H         2.6154136163       11.0970756830        9.0620130361
  H         4.3180799642       10.6409967566        9.2222370052
  H         2.2821662161       10.8852075536       11.5069290074
  H         2.9363822372        9.3904512936       10.8535071238
  H         7.5817640744       12.2128501292       15.8564083800
  H         7.2184332604        7.7100511224       14.0600807893
  H         8.7465530637        8.0523283819       16.1654010827
  H        10.2686939373       10.2479662806       15.6837662700
  H        10.1789683144        9.2370566424       14.2003444148
  H         9.0069911746       11.6398987866       13.7285489753
  H         7.4599601528        9.9981958823       17.4098361778
  H         7.3850317769        9.9325400308       12.5171280478
 Rh        12.6564741027        9.8062402158        4.6978467465
  P        14.2928382254       10.0505800260        6.1708260414
  C        14.4273661650       11.8526560537        6.6627996000
  C        14.7110687384       12.8117867167        5.4895882734
  C        14.7783649338       14.2748097194        5.9712012504
  C        13.5124921203       14.6925904369        6.7276144901
  C        13.2710104055       13.7521871791        7.9115788218
  C        13.1724654206       12.2948495717        7.4371879880
  C        15.9614041818        9.6329275583        5.4489870586
  C        15.9759261133        9.8431462635        3.9226579398
  P        14.3110641108        9.4384225435        3.2045134295
  C        14.3808113311        7.6359149401        2.7173732260
  C        14.5644788119        6.7246278559        3.9493325206
  C        14.4469765366        5.2313534830        3.5987213276
  C        13.1198479260        4.9318413884        2.8955861855
  C        13.0060221672        5.7742264624        1.6222901794
  C        13.1059174953        7.2735677100        1.9283232670
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  H        11.6101690736        7.4222953030        5.4609305948
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  F         7.3491453058       10.8245973048       -0.2359191544
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  C         6.9964830864        8.8484404668        1.6662120734
  C         6.4461224240        7.8480185758        2.4606927760
  C         5.5459068310        8.1617648936        3.4931127452
  C         5.1584793959        9.4850376864        3.7736998520
  C         5.7340481144       10.4828822014        2.9571153411
  B         4.2404141186        9.8992745435        5.0768834981
  C         3.2166896105        8.7120030349        5.5721442495
  C         2.5870245557        7.8536047966        4.6586986133
  C         1.6588703176        6.8798354392        5.0589811969
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  C         1.8884981135        7.6064782591        7.3250275571
  C         2.8251541649        8.5653061685        6.9169037924
  C         1.5836397254        7.5069673909        8.7957262467
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  F         2.6869826596        7.1596546355        9.5337929617
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  F         0.1943483439        5.0747826857        4.3301166753
  F         0.6519446474        6.7255530698        2.9283069435
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  C         6.8567776069        9.3860718357        7.9449883536
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  C         6.8186627785       11.7410726198        7.4916169428
  C         5.8567790590       11.5262079657        6.4934693096
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  F         6.3558530306       14.0811215398        7.4845158297
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  F         7.4254133582        7.1001826596        7.7769048776
  F         6.2867704956        7.7317030840        9.5347325184
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  C         2.6311392555       11.2889192088        3.5285480298
  C         1.6668209842       12.2675445701        3.2888087648
  C         1.2700344897       13.1631178708        4.2813369894
  C         1.8559471524       13.0323043021        5.5375934244
  C         2.8051185495       12.0307488227        5.7907229931
  C         1.1058631063       12.3796955137        1.9155035577
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  F         1.8933417732       13.1556025380        1.0974278052
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  F         7.4984115160        5.8849135692        3.2978136465
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  F        11.2165389508        9.0173631442       20.2227247170
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  C        11.4394675372       11.0394103552       18.2029836902
  C        11.8887873223       12.0129615473       17.3107314324
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  C        13.2423696463       10.3738176037       16.0775045437
  C        12.7614689733        9.4016002817       16.9801064825
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  C        15.7610253003       12.0581375585       15.2242970775
  C        16.7005470169       13.0218457729       14.8368503459
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  C        16.5062484237       12.2863988343       12.5611631689
  C        15.5688044380       11.3263864533       12.9601108670
  C        16.8419379604       12.3971888083       11.0970245979
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  F        15.7543578775       12.8160236772       10.3459447010
  F        17.2354256252       11.1906382607       10.5610811811
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  F        18.1482243265       14.8384539572       15.4057545251
  F        17.8385728239       13.2541789967       16.9334149069
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  C        12.4463908654       10.6742096763       12.8456338372
  C        11.4659280007       10.4125899877       11.8787804712
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  C        12.5728863553        8.3421980460       13.3559926426
  C        11.0269949907        6.6994014841       12.2314046516
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  F        11.9227925135        5.6913324486       12.4654413943
  F        10.0060210117        6.4973992542       13.1315395701
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  F        10.6241297937       12.6596881461       11.7439544318
  F        11.7669677394       11.8876734978       10.0451396950
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  C        15.8551663575        8.5661883917       16.2870038228
  C        16.8096879740        7.5592465939       16.4632530207
  C        17.1178118883        6.6715242073       15.4298014493
  C        16.4815342585        6.8323203426       14.2066708994
  C        15.5554456864        7.8629902739       14.0135143498
  C        17.4839983384        7.2670256988       17.7700353156
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  F        16.7935411215        6.3145125204       18.4806136184
  F        18.7591998719        6.7892612732       17.5408154424
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  F        10.4814682938       13.7338432878       16.4321681704
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  F        15.6569751721        5.2691824865       12.6114778268
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  H        10.7501037157       11.2954125792       19.0026468036
  H        13.0883956874       12.4722067320       15.5913367524
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  H        12.9653760359        7.5103332402       13.9391237405
  H        15.6266880371        9.2295595582       17.1204816054
  H        17.8316872375        5.8694672982       15.5820333627
  H        15.1045779803        7.9764335715       13.0296478731
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  F         3.3592550732       17.0876348346       18.6313491955
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  F         3.9022020629       24.0236464186       17.3054068305
  F         1.9926366666       23.2934782848       16.4318169149
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  C         7.2653038044       18.2754786910       16.2273511245
  C         8.2433494206       17.3076514344       16.4686937069
  C         8.6462229822       16.4200446779       15.4708122795
  C         8.0501420064       16.5414807183       14.2160413056
  C         7.0827632870       17.5239294783       13.9686467535
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  F        10.0145859312       16.5639301606       17.8929020413
  F         7.9539049039       16.3792988662       18.6303901654
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  C         7.0866986638       21.0102515512       12.9487517093
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  F         9.3802677523       23.0321399152       10.9269722418
  F         7.3246942426       22.5146239105       10.4081042616
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  F         7.6876550204       24.3577155575       16.5044350247
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  C         2.5596404837       18.7117372027       11.4963398602
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  F         3.4285533932       15.3140839148       12.3964424663
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  H         4.2984223753       21.3265005988       12.8167219464
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  F        15.0496106452        2.8841669215        1.1015973658
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  C        14.2233292053        0.9230946750        2.9920736764
  C        13.7272131901       -0.0723052416        3.8626254405
  C        14.1666647969       -1.3847410555        3.6274492613
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  C        15.4645685568       -0.7128644757        1.6870909498
  C        15.4679534201       -3.1195779263        2.3835639527
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  F        14.4477435203       -4.0413995198        2.4964303245
  F        16.4091076864       -3.4512332052        3.3543958104
  B        12.7856710235        0.2711552631        5.1568944926
  C        11.7365985409        1.4844787504        4.8444072776
  C        11.1271902375        1.5973404468        3.5802798068
  C        10.1464113834        2.5570594800        3.3186751004
  C         9.7316862671        3.4566744731        4.3054530490
  C        10.3177750257        3.3534900406        5.5645502953
  C        11.2917192016        2.3803583732        5.8300913980
  C         9.9538170614        4.3111558290        6.6595574515
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  F         9.1361809625        5.3319973157        6.2381058226
  F         9.3074791781        3.6817415031        7.6989671384
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  F         8.4024847030        3.3409331515        1.9034517838
  F        10.4693686543        3.4761596380        1.1632836571
  C        11.7819682892       -0.9612859867        5.5497524886
  C        11.2396836746       -1.8356996842        4.5901585585
  C        10.2900359350       -2.8064047490        4.9264253101
  C         9.8255513612       -2.9393262748        6.2379271730
  C        10.3410202450       -2.0708574357        7.1988721952
  C        11.2972109159       -1.1057686685        6.8611938908
  C         9.9459084631       -2.1878116965        8.6395950941
  F         9.5858477501       -0.9740681791        9.1687839225
  F         8.9075572561       -3.0503458916        8.8702214294
  F        11.0139543700       -2.6144515714        9.3929680616
  C         9.7509667693       -3.6984247396        3.8495167483
  F         8.8175864495       -4.5678832131        4.3252572071
  F        10.7196683909       -4.4527210995        3.2286078987
  F         9.1410979995       -2.9678201967        2.8540237329
  C        13.8516072650        0.6101819737        6.3534837448
  C        14.3437015722        1.9091495154        6.5641990989
  C        15.3257982157        2.1850356191        7.5255375332
  C        15.8696775826        1.1705757460        8.3097743015
  C        15.4108130177       -0.1344692458        8.1000858903
  C        14.4269474718       -0.4070420351        7.1439280109
  C        16.0229958537       -1.2295710700        8.9222111824
  F        16.0412087012       -0.8758083913       10.2619778472
  F        17.3296014824       -1.4916742322        8.5808980848
  F        15.3721019671       -2.4176985446        8.8047403184
  C        15.8739004750        3.5757537041        7.6215596633
  F        16.4770752952        3.8574925780        8.8089798220
  F        14.9136734478        4.5287811635        7.4081157339
  F        16.8298281384        3.7882733998        6.6592906423
  H        13.9419272228        1.9631889001        3.1515270091
  H        13.8464276134       -2.1852160050        4.2934057640
  H        16.1200961833       -0.9618464165        0.8572491665
  H        11.4237432512        0.9220161250        2.7783178431
  H         8.9915835302        4.2213461134        4.0918903380
  H        11.7169637900        2.3328353736        6.8319674843
  H        11.5606026329       -1.7627641608        3.5516405049
  H         9.0963933141       -3.6975837073        6.5039645046
  H        11.6707447096       -0.4474412207        7.6442862753
  H        13.9595356982        2.7326573251        5.9644952975
  H        16.6322622340        1.3887037815        9.0534592906
  H        14.1015601995       -1.4369657481        7.0105717699
  H        10.7930190386       11.7826072167        4.6875343186
  H        11.5918198622       10.0361901600        3.1242536802
     646
 i =      152, E =         0.0000155110
 Rh         3.6493008544        0.2414734778        4.8224959815
  P         5.3924135878        0.6388167647        6.2905135036
  C         5.2310500596       -0.3111047628        7.8717461983
  C         4.8438411261       -1.7868541021        7.6555518339
  C         4.5347858498       -2.4507379093        9.0078791387
  C         5.7174061983       -2.3357750147        9.9800813287
  C         6.1828272895       -0.8810170129       10.1426961312
  C         6.4586275937       -0.2023301349        8.7896983603
  C         5.6694174429        2.4064772905        6.8114703712
  C         4.6326952463        2.8257313693        7.8771438957
  C         4.6437091338        4.3341892920        8.1729020136
  C         4.5490244098        5.1674784046        6.8920103999
  C         5.6890324820        4.8043852885        5.9379187291
  C         5.6307879630        3.3170610138        5.5647010316
  C         7.0057277505        0.0983686515        5.5225361888
  C         6.9777374148        0.2347950571        3.9907890183
  P         5.3148074395       -0.2375158248        3.2961446469
  C         5.4814063587       -2.0237844272        2.7944799431
  C         4.3990029087       -2.4032953126        1.7637056366
  C         4.3867605663       -3.9068933731        1.4661520697
  C         4.2514842137       -4.7420324803        2.7413461505
  C         5.3927738692       -4.4212384045        3.7108936148
  C         5.4236590995       -2.9222263801        4.0511846749
  C         5.1196046631        0.6992400085        1.7105396777
  C         4.8351821065        2.1981369100        1.9283260316
  C         4.4299164203        2.8448390910        0.5929369716
  C         5.5082227223        2.6476581645       -0.4838314893
  C         5.8893109857        1.1672097087       -0.6466676560
  C         6.2602520277        0.5104644978        0.6962625666
  C         1.8895159837        0.3178548971        3.4715150391
  C         1.9128661349       -0.9291129289        4.1024216132
  C         1.0804609556       -0.7899178847        5.3916835515
  C         1.9511761236        0.1444909396        6.2592905497
  C         1.9268806188        1.3905490190        5.6310691392
  C         1.0411002197        1.2372610980        4.3781831903
  C        -0.0014947578        0.2129883216        4.9050450481
  H         4.3786171465        0.1809395890        8.3691846042
  H         5.6704565842       -2.3216967062        7.1639654252
  H         3.9784855667       -1.8589280236        6.9793946877
  H         4.2644462827       -3.5055422194        8.8576225003
  H         3.6499962129       -1.9649415483        9.4448836140
  H         5.4392525582       -2.7526641540       10.9589979393
  H         6.5529298947       -2.9478463033        9.6140556968
  H         7.0916987854       -0.8348727341       10.7608405534
  H         5.4043976284       -0.3101792005       10.6729817833
  H         6.7472547447        0.8449678443        8.9482906559
  H         7.3138269975       -0.6891993227        8.3033778359
  H         6.6767429914        2.4617317487        7.2554668731
  H         4.8154473810        2.2748432288        8.8094831475
  H         3.6264812769        2.5348869708        7.5442998451
  H         5.5683870931        4.5996176507        8.7051616131
  H         3.8142174094        4.5696705306        8.8552506488
  H         4.5670698785        6.2380130817        7.1390905748
  H         3.5851217615        4.9867311309        6.3933937243
  H         6.6525416144        5.0320317563        6.4140983730
  H         5.6455742419        5.4065034812        5.0209365038
  H         6.4608587541        3.0658795797        4.8880130375
  H         4.7031289961        3.1170029242        5.0036290555
  H         7.8431100756        0.6618483394        5.9587735807
  H         7.1470499893       -0.9530918161        5.8106305509
  H         7.7706041491       -0.3645763039        3.5204696051
  H         7.1482331001        1.2795906895        3.6955381972
  H         6.4716012310       -2.1375584428        2.3239433305
  H         4.5531921907       -1.8483364729        0.8283646273
  H         3.4088164947       -2.1034343777        2.1325712094
  H         5.3181383817       -4.1809462696        0.9499619349
  H         3.5658273638       -4.1253521833        0.7713408721
  H         4.2386598397       -5.8111007806        2.4884409814
  H         3.2839959062       -4.5349911239        3.2228587878
  H         5.2881897257       -4.9940661354        4.6445021357
  H         6.3516226367       -4.7217538650        3.2637719651
  H         6.2819779013       -2.7094158203        4.7044995828
  H         4.5228720556       -2.6604976447        4.6296767177
  H         4.2040413134        0.2563470208        1.2834517537
  H         5.7346199881        2.6961131059        2.3203496703
  H         4.0454993146        2.3321237762        2.6836417566
  H         4.2266135599        3.9149337960        0.7387412166
  H         3.4847857357        2.3943552815        0.2542018974
  H         6.4031188409        3.2278039822       -0.2150733898
  H         5.1560916160        3.0531214084       -1.4437270264
  H         6.7308417903        1.0656603591       -1.3477437651
  H         5.0413911443        0.6194980850       -1.0884124251
  H         7.1747394977        0.9721727405        1.0899597583
  H         6.4865983596       -0.5525903902        0.5437780420
  H         2.1253802505        0.5296406811        2.4323701374
  H         2.1791362343       -1.8849680255        3.6609916269
  H         0.7612825426       -1.7242748429        5.8597676636
  H         2.2427488611       -0.0675657677        7.2839655745
  H         2.2069052932        2.3481054376        6.0604458398
  H         0.6833446147        2.1661513282        3.9266905015
  H        -0.6191288816        0.6072708447        5.7183925557
  H        -0.6346637467       -0.1975718385        4.1114626860
 Rh        14.7202377347       19.6382764266       14.9736430248
  P        12.9629391719       19.2102256159       13.5235969341
  C        13.1369441551       20.1911064576       11.9587812303
  C        13.5116844544       21.6638895629       12.2123104691
  C        13.8471362522       22.3643414756       10.8852539840
  C        12.6861002261       22.2642699729        9.8859884859
  C        12.2456046244       20.8078951045        9.6760704179
  C        11.9370787389       20.0938425597       11.0048835856
  C        12.6750393393       17.4542605661       12.9683542133
  C        13.6913999944       17.0368375235       11.8840411922
  C        13.6158982406       15.5366606712       11.5596143970
  C        13.7776979974       14.6910190928       12.8256106407
  C        12.6807711224       15.0371005467       13.8368402870
  C        12.7150613142       16.5288220172       14.2052050631
  C        11.3438815161       19.7173583897       14.3129592219
  C        11.4073081920       19.6613240302       15.8503581156
  P        13.0786259762       20.1655314128       16.5041737279
  C        12.9053000276       21.9614264375       16.9591843573
  C        13.9829950669       22.4022074525       17.9718403956
  C        13.9877998287       23.9236853424       18.1863587887
  C        14.0963305242       24.6912722667       16.8654999614
  C        12.9501766870       24.3063247513       15.9275375967
  C        12.9632520963       22.7956612584       15.6605107720
  C        13.3279447477       19.2286599385       18.0827128174
  C        13.6069516502       17.7377611598       17.8062380838
  C        14.0269464657       17.0237994931       19.0995792857
  C        12.9654676516       17.1843952854       20.1984744763
  C        12.6204871332       18.6633516403       20.4406194162
  C        12.2249295744       19.3918466833       19.1407679939
  C        16.4565740645       19.6208913534       16.3495337113
  C        16.4717191986       20.8179710986       15.6272830731
  C        17.3210619578       20.5623128245       14.3666366732
  C        16.4394577328       19.5874997111       13.5552247000
  C        16.4201558220       18.3915914690       14.2748156777
  C        17.2926720853       18.6154633466       15.5273364498
  C        18.3704974600       19.5733725076       14.9462114948
  H        14.0052589475       19.7126855534       11.4752266177
  H        12.6699482369       22.1823592538       12.6952180933
  H        14.3608244317       21.7237756653       12.9103577126
  H        14.1030510615       23.4167138046       11.0717660251
  H        14.7473214052       21.8994312828       10.4561381472
  H        12.9771918410       22.7121677504        8.9242656182
  H        11.8348518172       22.8544505910       10.2534862486
  H        11.3569413266       20.7657300296        9.0290350689
  H        13.0475624674       20.2605435797        9.1561290233
  H        11.6652171474       19.0481453865       10.8121210329
  H        11.0618546063       20.5594766796       11.4762611400
  H        11.6640454648       17.4176326306       12.5304478367
  H        13.5192276700       17.6178022500       10.9680268456
  H        14.7117258821       17.2798848877       12.2150200935
  H        12.6467801873       15.3074778769       11.0928981452
  H        14.3872357572       15.2868710037       10.8169860584
  H        13.7574531307       13.6211115159       12.5747523289
  H        14.7654448976       14.8765651534       13.2739664846
  H        11.7003566112       14.7740161904       13.4163083544
  H        12.7956654615       14.4491493425       14.7575146736
  H        11.8763449351       16.7667231537       14.8771390490
  H        13.6339247632       16.7398744355       14.7756321618
  H        10.5306419024       19.0825540112       13.9317808365
  H        11.1300716536       20.7401426053       13.9724063890
  H        10.6212974070       20.2815075031       16.3051231908
  H        11.2442426808       18.6327803526       16.2016424680
  H        11.9120652148       22.0890923289       17.4192691138
  H        13.8245656431       21.8994583380       18.9360205187
  H        14.9765964365       22.0869036558       17.6241324725
  H        13.0635450124       24.2218084203       18.7019680752
  H        14.8188768869       24.1887149221       18.8535916375
  H        14.0991731540       25.7722314523       17.0598208208
  H        15.0595227243       24.4732888162       16.3805654490
  H        13.0266645102       24.8359904659       14.9673492126
  H        11.9888463915       24.5995006767       16.3725889150
  H        12.1312809263       22.5217790818       14.9965531885
  H        13.8865724687       22.5330569355       15.1190036625
  H        14.2547396594       19.6702647244       18.4868224567
  H        12.7000636199       17.2600823678       17.4059399136
  H        14.3828685192       17.6364053776       17.0310946453
  H        14.2092404992       15.9595861396       18.8913582087
  H        14.9855321349       17.4400419722       19.4445936705
  H        12.0558236237       16.6389505287       19.9072049402
  H        13.3157403816       16.7215152117       21.1324103175
  H        11.7996241993       18.7464892741       21.1683496119
  H        13.4910503710       19.1708837822       20.8860311516
  H        11.2841503903       18.9731232536       18.7592022821
  H        12.0356902106       20.4527705544       19.3478174651
  H        16.2086056881       19.4959825934       17.3994640005
  H        16.2205645355       21.8097408984       15.9935345960
  H        17.6719827725       21.4502216334       13.8357289564
  H        16.1666721769       19.7284045443       12.5132584327
  H        16.1154002002       17.4124504884       13.9158838964
  H        17.6167455350       17.7144839894       16.0541333232
  H        18.9937325420       19.1053363279       14.1765664252
  H        18.9993271553       20.0275970855       15.7208684802
 Rh         5.9521254814       10.0596320699       14.9877293941
  P         4.1619701147        9.6045956854       13.5929390355
  C         3.8052410503        7.8500973197       13.0844877351
  C         3.7402699546        6.9300965656       14.3222647171
  C         3.6849190203        5.4439093568       13.9324394203
  C         4.8666017594        5.0683233853       13.0354845064
  C         4.8130634536        5.8932916030       11.7488692885
  C         4.8549527942        7.3980153590       12.0514843791
  C         2.5777672694       10.2038119580       14.3694769094
  C         2.6459809309       10.1080289698       15.9009539156
  P         4.3272198285       10.6016632897       16.5340684374
  C         4.1495700341       12.3794951372       17.0396285717
  C         4.0178927372       13.2628107798       15.7792949184
  C         4.0839653322       14.7636500297       16.0988411682
  C         5.3683502560       15.0894249639       16.8648905217
  C         5.4054857580       14.2968734330       18.1733111569
  C         5.3408620148       12.7854712677       17.9309625690
  C         4.5637051664        9.6601656100       18.1108413923
  C         4.9000192684        8.1807637421       17.8410092911
  C         5.1985109440        7.4529451224       19.1592426674
  C         4.0166088361        7.5661217367       20.1326009133
  C         3.3899817712        9.8054937815       19.0931108704
  C         3.6620140317        9.0370116761       20.3984597687
  C         4.3602900642       10.5602172773       12.0169405850
  C         4.7118144191       12.0375657798       12.2799372971
  C         5.0298307637       12.7609697856       10.9611448992
  C         3.8797519383       12.6319989616        9.9521268010
  C         3.4894583642       11.1643386906        9.7260914633
  C         3.1763743320       10.4418332967       11.0483615932
  C         7.7812477868       11.1875650962       15.5568983686
  C         7.5753340165        8.6922493119       14.3579872530
  C         8.4711526853        8.9391590221       15.5893782951
  C         9.5991267019        9.7915231705       14.9445497707
  C         8.6058790996       10.8061521964       14.3111821137
  C         7.7052074575       10.0422400524       16.3527690617
  C         7.6581499792        9.8398618067       13.5649550084
  H         2.8147031067        7.8543813319       12.6002200278
  H         4.6262580932        7.1041476631       14.9528116602
  H         2.8647782051        7.1880469697       14.9367429492
  H         2.7481633290        5.2286161357       13.4004324138
  H         3.6694777278        4.8392918457       14.8461446241
  H         5.8118668149        5.2538359861       13.5679336417
  H         4.8593525146        3.9951060089       12.7998246675
  H         5.6433927555        5.6379795868       11.0762699309
  H         3.8876458722        5.6511647501       11.2070646200
  H         4.7015413142        7.9596534698       11.1247590070
  H         5.8623920056        7.6581721988       12.4072490760
  H         2.4478347565       11.2482737531       14.0537596969
  H         1.7216172667        9.6410486595       13.9704507067
  H         1.8673345486       10.7201309553       16.3780638381
  H         2.4868937899        9.0704825856       16.2259816150
  H         3.2201297550       12.4653679661       17.6253313662
  H         4.8304488743       13.0103280816       15.0801870815
  H         3.0759399657       13.0328394463       15.2614137422
  H         4.0188863651       15.3321763824       15.1597930747
  H         3.2130246817       15.0582501952       16.7017532187
  H         5.4454276706       16.1642877970       17.0757178637
  H         6.2438933869       14.8405479131       16.2460057103
  H         6.3107101737       14.5294565904       18.7475930875
  H         4.5506147310       14.5987893632       18.7949424974
  H         6.2813034377       12.4560358381       17.4669833696
  H         5.2781753389       12.2647282577       18.8965740332
  H         5.4556735739       10.1235602004       18.5640361302
  H         5.7547943133        8.1141530231       17.1502439472
  H         4.0547140558        7.6894874869       17.3381067070
  H         6.0949666050        7.8969769543       19.6165561350
  H         5.4424034277        6.3998153272       18.9592475986
  H         4.2470452128        7.0556547185       21.0777560274
  H         3.1455097570        7.0494460800       19.7039702193
  H         3.1984445649       10.8641056668       19.3109161488
  H         2.4776457414        9.4098107978       18.6287029450
  H         4.4946718208        9.5187072524       20.9356472011
  H         2.7801212070        9.1075666966       21.0518948760
  H         5.2401215910       10.0893638552       11.5477568793
  H         5.5642279913       12.1028389274       12.9754717316
  H         3.8643017044       12.5361907106       12.7737481074
  H         5.2451625665       13.8200249250       11.1614748888
  H         5.9490235255       12.3355786203       10.5333462762
  H         4.1609704501       13.1012748842        8.9978339866
  H         3.0058390690       13.1864574169       10.3207543891
  H         2.6153047191       11.0973073292        9.0619926445
  H         4.3179635673       10.6411105025        9.2221182313
  H         2.2821849374       10.8853395626       11.5068828722
  H         2.9363211778        9.3905622449       10.8534270778
  H         7.5816428595       12.2128444344       15.8564408500
  H         7.2184499360        7.7100839226       14.0601158064
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  H        16.1554527023       10.4142467177        0.8883086567
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  H        15.6177817544       10.6180233801       -1.5156720547
  H        13.2751299588        9.6678365047        8.2502085206
  H        12.9351319024        7.5534069486        6.9586866824
  H        14.6242736921        7.1235640486        7.2206624553
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  H        12.5343741358        7.6310942963        9.4137639970
  H        14.2892602374        6.8907573543       11.0070566681
  H        15.4228803553        6.6272017340        9.6899182072
  H        15.9442651934        8.7966500945       10.7384360148
  H        14.2587744100        9.3159482041       10.5959388294
  H        16.2198688929        8.8390391236        8.2849741626
  H        15.6156309140       10.3918186757        8.8499515598
  H        10.0266690004       10.0342772560        2.4617024193
  H        11.2110510400        9.4543457849        7.2025557476
  H         9.0918906406       10.7087684676        6.4475530817
  H         8.0358847301        9.3619636441        4.3436341567
  H         8.5382131917        8.2223820919        5.6310553478
  H        10.0027919621        7.7466170334        3.4365221325
  H         9.1538459994       11.5843932668        4.0544628504
  H        11.6100703400        7.4225262482        5.4613505699
  F         8.5024422466       11.5984078604        1.4656033537
  C         7.2277866303       11.2411952148        1.0647193664
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  F         7.3491605992       10.8245947365       -0.2359818191
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  C         6.9963351419        8.8484542613        1.6663096235
  C         6.4460416974        7.8481173854        2.4607824566
  C         5.5461621965        8.1613006433        3.4929689301
  C         5.1582479972        9.4851727602        3.7740299839
  C         5.7341937695       10.4832775749        2.9569502012
  B         4.2404998948        9.8991790304        5.0769059705
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  C         2.5866753529        7.8531437253        4.6585249451
  C         1.6589534716        6.8798549950        5.0587566017
  C         1.2946934427        6.7382999495        6.3996912633
  C         1.8884092166        7.6064083391        7.3251082089
  C         2.8249948917        8.5652561357        6.9171465102
  C         1.5837715667        7.5070366045        8.7953396572
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  F         2.6870888907        7.1595893682        9.5339556744
  F         1.1748559768        8.7179995635        9.3118989120
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  F         0.1941251828        5.0746023904        4.3301629860
  F         0.6518584785        6.7256488065        2.9281293672
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  C         5.8978109038        9.1907847830        6.9504958485
  C         6.8568172332        9.3859773707        7.9450710992
  C         7.3160452612       10.6706126266        8.2510816842
  C         6.8186377830       11.7408973500        7.4916162013
  C         5.8570024281       11.5264129413        6.4936485783
  C         7.3344145529       13.1427932148        7.6993548580
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  F         6.3557885270       14.0812176646        7.4844995330
  F         8.3398338964       13.4812080938        6.8170037461
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  F         7.4254269498        7.1001246852        7.7768693736
  F         6.2867352170        7.7316600904        9.5347904534
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  C         2.6311158630       11.2892962512        3.5292689409
  C         1.6671019270       12.2670548087        3.2884217090
  C         1.2693953529       13.1637461419        4.2811546564
  C         1.8563085995       13.0321546268        5.5381842731
  C         2.8049843491       12.0306241879        5.7898608264
  C         1.1057824683       12.3797949590        1.9155498571
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  F         1.8933336785       13.1555578221        1.0974532315
  F        -0.1575801079       12.9026993048        1.9035765736
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  F         7.4984953561        5.8848210626        3.2979082838
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  F         2.6779233035       14.5684325284        7.1196547083
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  H         5.1421728884        7.3469985673        4.0932636854
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  H         3.2227227942       11.9519771551        6.7935191975
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  F        11.2165458567        9.0173675542       20.2226983349
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  C        11.4394949405       11.0395549652       18.2029360048
  C        11.8888742741       12.0127773135       17.3106887572
  C        12.7686473780       11.6834689660       16.2711353471
  C        13.2424481325       10.3738046925       16.0773971502
  C        12.7614913514        9.4013437239       16.9801034516
  B        14.1540412420        9.9818537080       14.7700806119
  C        15.1599244250       11.1870608860       14.3001033896
  C        15.7610377626       12.0581650425       15.2242593353
  C        16.7005204903       13.0217992571       14.8367636345
  C        17.0860987240       13.1509972948       13.4975798880
  C        16.5062219638       12.2863677082       12.5612076561
  C        15.5687777320       11.3263252547       12.9600499584
  C        16.8420697079       12.3972577792       11.0968598637
  F        17.8574553681       13.2699487097       10.8525554346
  F        15.7543807255       12.8160009608       10.3459890882
  F        17.2353924794       11.1907052255       10.5611484053
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  F        16.2460577982       14.6728341774       16.4976484702
  F        18.1482555409       14.8384772341       15.4057379755
  F        17.8385827171       13.2541711985       16.9334224247
  C        13.0471052856        9.6454338686       13.5995093833
  C        12.4461467422       10.6746520545       12.8453296005
  C        11.4659756818       10.4124270719       11.8788479113
  C        11.0445142250        9.1067785660       11.6265853754
  C        11.6011080132        8.0759743914       12.3855064578
  C        12.5726930063        8.3415569958       13.3559755347
  C        11.0269613179        6.6992994969       12.2313826046
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  F        11.9227799818        5.6913689975       12.4654414889
  F        10.0060339517        6.4974093122       13.1315344553
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  F         9.7393195537       11.1775783218       10.4114406344
  F        10.6240721485       12.6598412004       11.7440156852
  F        11.7670504237       11.8877420807       10.0449795545
  C        15.1896385084        8.7404852112       15.0508095871
  C        15.8548175360        8.5663635718       16.2865830572
  C        16.8097829907        7.5593328528       16.4636598477
  C        17.1180335758        6.6711385093       15.4294908058
  C        16.4815941947        6.8321828253       14.2065505177
  C        15.5553700352        7.8633168629       14.0141755075
  C        17.4840271269        7.2670622545       17.7701997199
  F        17.6134481362        8.3290184726       18.6222470221
  F        16.7936264725        6.3146392257       18.4804877126
  F        18.7591255166        6.7892909339       17.5408158446
  C        11.3920227047       13.4254539920       17.4307318134
  F        10.7857889213       13.6684412313       18.6260706831
  F        10.4814504867       13.7338532344       16.4321499111
  F        12.4023157148       14.3404560068       17.3058514851
  F        17.6305997254        4.8721590037       13.4875045647
  F        17.3766697955        6.5267499529       12.0282036656
  F        15.6567984877        5.2690369596       12.6113407823
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  H        10.7501327152       11.2954037617       19.0026850985
  H        13.0884104284       12.4722033208       15.5913170383
  H        13.0665818991        8.3638863845       16.8579690845
  H        15.4883432677       11.9916239736       16.2764989029
  H        17.7987795111       13.9112833542       13.1927113008
  H        15.1418880037       10.6727222565       12.2008523209
  H        12.7466884591       11.7081834288       13.0150827720
  H        10.2848742248        8.8982009309       10.8795026442
  H        12.9652584035        7.5105490135       13.9390603651
  H        15.6266906696        9.2295690202       17.1205709098
  H        17.8315754514        5.8696765158       15.5820012029
  H        15.1044216150        7.9763993889       13.0293697866
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  F         3.3592694217       17.0875908459       18.6313535908
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  C         4.1815566092       19.0328520956       16.8413946495
  C         4.6939692360       20.0195367109       15.9747386763
  C         4.2788338570       21.3391614431       16.2260077633
  C         3.4389992615       21.6636798439       17.2990312440
  C         2.9632385377       20.6781671027       18.1593887572
  C         2.9234500262       23.0644503011       17.4347418500
  F         2.2996826196       23.2922075445       18.6244610208
  F         3.9023140079       24.0238330799       17.3053945480
  F         1.9924240410       23.2936225780       16.4316683917
  B         5.6121694878       19.6360215867       14.6727906548
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  C         7.2651444040       18.2756108120       16.2273752430
  C         8.2433992053       17.3076300042       16.4687867902
  C         8.6463106479       16.4199018318       15.4706346810
  C         8.0500144955       16.5416887814       14.2161962557
  C         7.0828690611       17.5238305124       13.9688219516
  C         8.4237164448       15.5963306539       13.1144707677
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  F         9.2159299926       14.5688038362       13.5620165276
  F         9.1081316853       16.2276381372       12.1008091525
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  F        10.0145178410       16.5639681334       17.8928764311
  F         7.9539339915       16.3793286809       18.6303421049
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  C         7.2158543353       21.6945756246       15.2314727754
  C         8.1647320438       22.6649391034       14.8898525398
  C         8.5895849360       22.8206534571       13.5670320111
  C         8.0392317153       21.9742055962       12.6043035839
  C         7.0865848820       21.0101317123       12.9488993461
  C         8.4039552289       22.1121626981       11.1582025532
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  F         9.3801663060       23.0320347912       10.9270245621
  F         7.3247409130       22.5145966663       10.4081515688
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  F         9.6015620645       24.4687782817       15.4764519905
  F         7.6876862592       24.3576721509       16.5044025437
  F         9.2705471856       22.8895642247       17.0030069676
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  C         4.0522299934       17.9791121635       13.2699180120
  C         3.0836016089       17.6952488981       12.2963278145
  C         2.5596059777       18.7112876886       11.4963926306
  C         3.0183774445       20.0180671709       11.7029994100
  C         3.9795259249       20.2949821047       12.6791628968
  C         2.3990040894       21.1148003493       10.8867603914
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  F         1.0899213164       21.3346483825       11.2600501419
  F         3.0363745332       22.3171546865       10.9980222061
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  F         1.9323217183       16.0519567063       10.9843963442
  F         3.4285435260       15.3141147254       12.3964498101
  F         1.5223809321       16.1209858567       13.1306147410
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  H         4.6108266134       22.1384132349       15.5647991645
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  H         6.9795239814       18.9432753137       17.0386421813
  H         9.3859991770       15.6514395852       15.6711843675
  H         6.6567848508       17.5913208334       12.9687530190
  H         6.9183638321       21.6057234146       16.2757164807
  H         9.3097720836       23.5851466235       13.2939993043
  H         6.6844814962       20.3730880929       12.1626172969
  H         4.4297455211       17.1594790733       13.8803068251
  H         1.8063158755       18.4932601261       10.7433492303
  H         4.2983838427       21.3264607666       12.8166956842
  F        15.6186675445        1.2750983482       -0.2930780161
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  F        16.9916947502        1.8963185821        1.3185722800
  F        15.0495415364        2.8843138021        1.1015898775
  C        15.0748397509        0.6116142201        1.9254506161
  C        14.2233285348        0.9231605411        2.9920028869
  C        13.7271321765       -0.0722914123        3.8626643434
  C        14.1666460710       -1.3848293595        3.6274095812
  C        15.0054358419       -1.7037973787        2.5553813111
  C        15.4645435415       -0.7128078900        1.6871814265
  C        15.4679521255       -3.1195888170        2.3835635862
  F        16.0486920690       -3.3178041503        1.1712844018
  F        14.4477407723       -4.0414029774        2.4964280822
  F        16.4091086464       -3.4512336358        3.3543947781
  B        12.7856326719        0.2711945176        5.1568531027
  C        11.7367864218        1.4843068488        4.8444269263
  C        11.1270698646        1.5973617466        3.5799438920
  C        10.1464448215        2.5570941596        3.3188219455
  C         9.7317881266        3.4565586747        4.3054390583
  C        10.3177396881        3.3535172728        5.5644971208
  C        11.2916770760        2.3805475258        5.8303817549
  C         9.9538711475        4.3110590038        6.6594555387
  F        11.0922435177        4.8782985352        7.1886753742
  F         9.1361427573        5.3320595980        6.2380993422
  F         9.3074081428        3.6817159925        7.6990635186
  C         9.6231465732        2.7202672514        1.9278340441
  F         9.4967667766        1.5339094875        1.2493906821
  F         8.4024948488        3.3409262017        1.9034543501
  F        10.4693697357        3.4761639500        1.1632775838
  C        11.7819109612       -0.9612840143        5.5497635530
  C        11.2397248674       -1.8355699385        4.5901049547
  C        10.2899541017       -2.8064711652        4.9264326741
  C         9.8256018393       -2.9392870288        6.2379900417
  C        10.3410056783       -2.0708917311        7.1987962944
  C        11.2971953088       -1.1057610154        6.8611388981
  C         9.9458937444       -2.1878003684        8.6396531105
  F         9.5858600885       -0.9741033201        9.1687587703
  F         8.9075723488       -3.0503338198        8.8702090320
  F        11.0139407753       -2.6144473067        9.3929564857
  C         9.7509577485       -3.6984407866        3.8494939456
  F         8.8176142494       -4.5678576656        4.3252457203
  F        10.7196450724       -4.4527031478        3.2286258398
  F         9.1411073840       -2.9678319408        2.8540346735
  C        13.8516665292        0.6101838549        6.3535199244
  C        14.3437964572        1.9089069684        6.5643331839
  C        15.3257163943        2.1851161106        7.5254119190
  C        15.8697154104        1.1705778238        8.3097778718
  C        15.4108237667       -0.1346024144        8.1001074986
  C        14.4269356694       -0.4067462574        7.1438565414
  C        16.0229923390       -1.2295151711        8.9221667112
  F        16.0412113533       -0.8758181658       10.2619924728
  F        17.3295949852       -1.4916829910        8.5809140579
  F        15.3721001248       -2.4177194020        8.8047491206
  C        15.8738674893        3.5757602768        7.6215174906
  F        16.4771029576        3.8575128794        8.8090125411
  F        14.9137261815        4.5287185716        7.4081369939
  F        16.8298226927        3.7882692128        6.6592975416
  H        13.9418889491        1.9631462869        3.1514846265
  H        13.8463529136       -2.1852085886        4.2933311529
  H        16.1202097200       -0.9618489465        0.8572640216
  H        11.4237366030        0.9221105889        2.7784018458
  H         8.9915170127        4.2214153175        4.0918757338
  H        11.7169220457        2.3328381488        6.8318246408
  H        11.5605049762       -1.7626976640        3.5516397252
  H         9.0964331304       -3.6976363573        6.5039727301
  H        11.6707315533       -0.4473984292        7.6442938520
  H        13.9594935617        2.7327708250        5.9643955542
  H        16.6322819000        1.3886868464        9.0534108526
  H        14.1014981873       -1.4371087819        7.0105596836
  H        10.7929709006       11.7827190368        4.6871430913
  H        11.5917405279       10.0359785749        3.1242057236
     646
 i =      153, E =         0.0030092453
 Rh         3.6494710474        0.2415232117        4.8225562123
  P         5.3925438998        0.6388536866        6.2906242804
  C         5.2311124515       -0.3112969352        7.8717247257
  C         4.8441124515       -1.7870498835        7.6552616757
  C         4.5347726858       -2.4511752259        9.0073909652
  C         5.7173113955       -2.3364106079        9.9797461195
  C         6.1827040500       -0.8816563250       10.1427319969
  C         6.4585118788       -0.2025602335        8.7899162513
  C         5.6694186284        2.4065042386        6.8116066441
  C         4.6326029845        2.8258839820        7.8771115733
  C         4.6443743227        4.3342988530        8.1730094101
  C         4.5492625371        5.1676147068        6.8921775195
  C         5.6887866148        4.8044157839        5.9375256249
  C         5.6308709667        3.3169508666        5.5647242985
  C         7.0059082136        0.0985759129        5.5225776195
  C         6.9778384399        0.2350085188        3.9908219945
  P         5.3149643292       -0.2375397138        3.2962195483
  C         5.4817937465       -2.0237879238        2.7946330119
  C         4.3996370782       -2.4034075113        1.7636861523
  C         4.3869474288       -3.9070410465        1.4665146588
  C         4.2517355279       -4.7418959506        2.7418541277
  C         5.3932504783       -4.4211448212        3.7110817572
  C         5.4241193935       -2.9221880403        4.0513128784
  C         5.1193779299        0.6991098087        1.7105800166
  C         4.8347695442        2.1979466496        1.9284907957
  C         4.4298998941        2.8449522577        0.5931191150
  C         5.5085772772        2.6479786074       -0.4833504506
  C         5.8891054981        1.1674188214       -0.6466155329
  C         6.2598405202        0.5102176553        0.6961430142
  C         1.8896954335        0.3179011153        3.4715249892
  C         1.9129656151       -0.9289688834        4.1026474895
  C         1.0805830072       -0.7894322357        5.3919072804
  C         1.9513992002        0.1450873191        6.2593440744
  C         1.9272025279        1.3910028423        5.6308452200
  C         1.0413902742        1.2375411341        4.3780124226
  C        -0.0013087323        0.2134809092        4.9050884154
  H         4.3785274207        0.1805718931        8.3691096667
  H         5.6709127735       -2.3217685549        7.1638063700
  H         3.9788902080       -1.8591441776        6.9788132780
  H         4.2644049702       -3.5059310842        8.8569274930
  H         3.6499406001       -1.9653819398        9.4443694406
  H         5.4390820771       -2.7535151419       10.9585388592
  H         6.5528555942       -2.9484047295        9.6136291211
  H         7.0915217119       -0.8356734526       10.7608760194
  H         5.4042256428       -0.3110177560       10.6731504402
  H         6.7469014252        0.8447395054        8.9488405082
  H         7.3138889714       -0.6891269386        8.3035796306
  H         6.6766813147        2.4618179842        7.2557360685
  H         4.8148576295        2.2747421465        8.8093961213
  H         3.6263591883        2.5356148585        7.5439562389
  H         5.5693904699        4.5993243406        8.7047888181
  H         3.8152839007        4.5700956903        8.8558180972
  H         4.5676043933        6.2381425483        7.1392285354
  H         3.5851072994        4.9870306123        6.3940206065
  H         6.6525432791        5.0325092680        6.4130732070
  H         5.6446124980        5.4061694576        5.0204020631
  H         6.4610003855        3.0658196117        4.8882124867
  H         4.7032766918        3.1166177879        5.0035733533
  H         7.8432283886        0.6621256716        5.9587857753
  H         7.1473448927       -0.9528917184        5.8106710144
  H         7.7707874508       -0.3643648700        3.5205064514
  H         7.1482891834        1.2797628767        3.6955466755
  H         6.4721690389       -2.1374556798        2.3241975555
  H         4.5542076343       -1.8487343860        0.8282342658
  H         3.4093604849       -2.1030874462        2.1322338037
  H         5.3182178364       -4.1814474642        0.9502032460
  H         3.5658636102       -4.1254583063        0.7718279001
  H         4.2386113065       -5.8110842986        2.4891334414
  H         3.2843671597       -4.5345903488        3.2235543019
  H         5.2889953156       -4.9940330263        4.6447584394
  H         6.3520334560       -4.7216155005        3.2636836650
  H         6.2824129909       -2.7092609183        4.7047058957
  H         4.5232507798       -2.6604650086        4.6298262341
  H         4.2037478641        0.2560730871        1.2837013501
  H         5.7340160647        2.6959227098        2.3209140481
  H         4.0448494582        2.3316906737        2.6835477266
  H         4.2265993693        3.9149846048        0.7391343156
  H         3.4849120023        2.3945869601        0.2539531453
  H         6.4035493812        3.2275996554       -0.2139144108
  H         5.1570065428        3.0539909227       -1.4431471505
  H         6.7305756857        1.0657256974       -1.3477069663
  H         5.0409736174        0.6201869979       -1.0884828333
  H         7.1745635769        0.9714549002        1.0898752147
  H         6.4857351352       -0.5528772901        0.5433990686
  H         2.1256048844        0.5294479031        2.4323081573
  H         2.1791976578       -1.8849782636        3.6613505381
  H         0.7613220668       -1.7237258125        5.8601956058
  H         2.2429181954       -0.0668031392        7.2840317951
  H         2.2073247953        2.3485671380        6.0599540380
  H         0.6837238299        2.1663378996        3.9263324649
  H        -0.6188253884        0.6079677984        5.7183893710
  H        -0.6345670223       -0.1971913006        4.1116210916
 Rh        14.7203235028       19.6383652856       14.9735793850
  P        12.9631587239       19.2103427509       13.5234785343
  C        13.1371539600       20.1911852052       11.9586529986
  C        13.5118667059       21.6639392256       12.2122388943
  C        13.8471268097       22.3645502274       10.8852554766
  C        12.6859423195       22.2645431521        9.8861515157
  C        12.2453504486       20.8082122964        9.6761420455
  C        11.9371488273       20.0939649168       11.0049257281
  C        12.6754218902       17.4542745087       12.9685205926
  C        13.6918883765       17.0368106032       11.8843268937
  C        13.6162361803       15.5367040668       11.5596891599
  C        13.7775187129       14.6907690841       12.8255516492
  C        12.6807126724       15.0371684753       13.8367978166
  C        12.7156477215       16.5288263116       14.2053596384
  C        11.3441677492       19.7178831197       14.3125942320
  C        11.4073430025       19.6609996094       15.8499595923
  P        13.0784844301       20.1654534457       16.5039894182
  C        12.9049087158       21.9612362859       16.9592582429
  C        13.9829079758       22.4016793586       17.9716921676
  C        13.9876929194       23.9230490366       18.1867648377
  C        14.0965846250       24.6908081591       16.8660565840
  C        12.9502613460       24.3065272804       15.9280497572
  C        12.9621913707       22.7958636198       15.6608095568
  C        13.3279111159       19.2286757705       18.0825491424
  C        13.6071099220       17.7377789213       17.8061973713
  C        14.0266971012       17.0238542490       19.0997442177
  C        12.9649212138       17.1845754198       20.1983357685
  C        12.6203493658       18.6636180494       20.4404587071
  C        12.2248215436       19.3920116542       19.1405278055
  C        16.4568281008       19.6207294769       16.3494003774
  C        16.4719356728       20.8178610111       15.6272623781
  C        17.3210702088       20.5624569640       14.3665050161
  C        16.4393929315       19.5877709893       13.5551403227
  C        16.4201027470       18.3916765844       14.2744253165
  C        17.2928545318       18.6154258689       15.5269234691
  C        18.3706005530       19.5733941809       14.9457430159
  H        14.0054392040       19.7127882338       11.4749236607
  H        12.6702177417       22.1823258133       12.6953664004
  H        14.3611490785       21.7237892229       12.9102279427
  H        14.1030144395       23.4168964549       11.0718362808
  H        14.7472775295       21.8997200942       10.4559577112
  H        12.9769138935       22.7125026023        8.9244045616
  H        11.8347819882       22.8547244642       10.2537939086
  H        11.3565484073       20.7661589115        9.0293432228
  H        13.0471782557       20.2608913661        9.1559297606
  H        11.6652800667       19.0482881334       10.8121103003
  H        11.0619849310       20.5595262726       11.4765457347
  H        11.6644267252       17.4174538032       12.5306154713
  H        13.5199849128       17.6179258670       10.9683154202
  H        14.7121998370       17.2797083540       12.2155389314
  H        12.6472044888       15.3077731258       11.0926141949
  H        14.3877778689       15.2868878460       10.8172410390
  H        13.7567103734       13.6208933350       12.5744306402
  H        14.7653474238       14.8756659290       13.2740134773
  H        11.7001896660       14.7745593083       13.4162635675
  H        12.7953780426       14.4490010672       14.7574306270
  H        11.8772030786       16.7668967797       14.8776364459
  H        13.6347521791       16.7395827045       14.7754582532
  H        10.5306069313       19.0837957626       13.9308632669
  H        11.1311696403       20.7409375824       13.9725508724
  H        10.6211041014       20.2808184154       16.3049148804
  H        11.2444808312       18.6323138021       16.2007005109
  H        11.9118132378       22.0886206547       17.4197702138
  H        13.8249008003       21.8985054939       18.9357113609
  H        14.9763711120       22.0866044898       17.6234612667
  H        13.0633752356       24.2210387970       18.7022214037
  H        14.8186588933       24.1878351829       18.8542615544
  H        14.0999356618       25.7717635309       17.0605113719
  H        15.0596819436       24.4724385471       16.3811314648
  H        13.0270597939       24.8361987273       14.9679238773
  H        11.9890758937       24.6003330181       16.3731357996
  H        12.1295995553       22.5226791680       14.9975074156
  H        13.8850016850       22.5328759173       15.1184475172
  H        14.2546477661       19.6703650796       18.4865964611
  H        12.7003996028       17.2599813978       17.4056023315
  H        14.3832905184       17.6364789336       17.0313951909
  H        14.2089966171       15.9596128220       18.8915988035
  H        14.9852005302       17.4400682013       19.4450167904
  H        12.0552226813       16.6394420906       19.9067381524
  H        13.3148128851       16.7214882818       21.1323399169
  H        11.7995356968       18.7470278211       21.1682516363
  H        13.4910430501       19.1709676038       20.8857258488
  H        11.2840768517       18.9732788905       18.7589916645
  H        12.0356603621       20.4529235335       19.3474487798
  H        16.2089467463       19.4956170735       17.3992477329
  H        16.2207913010       21.8096334594       15.9937300049
  H        17.6719183428       21.4504246785       13.8356699828
  H        16.1664514260       19.7288148543       12.5130301849
  H        16.1153671545       17.4126495372       13.9154269787
  H        17.6169698432       17.7143326587       16.0534918255
  H        18.9936208507       19.1054294328       14.1758859276
  H        18.9995790968       20.0274454905       15.7203183807
 Rh         5.9518978780       10.0595904664       14.9877866062
  P         4.1619642580        9.6048747718       13.5926986358
  C         3.8056347640        7.8502485498       13.0843961489
  C         3.7411850296        6.9304881859       14.3224050178
  C         3.6853893631        5.4442339448       13.9328534819
  C         4.8666844011        5.0682326268       13.0354721892
  C         4.8133399204        5.8933810922       11.7489501627
  C         4.8556381289        7.3980958837       12.0516684702
  C         2.5775943956       10.2037241146       14.3692571316
  C         2.6457422668       10.1079326817       15.9008049775
  P         4.3269727920       10.6014261395       16.5341109655
  C         4.1495475571       12.3793319078       17.0395516875
  C         4.0182939033       13.2625151749       15.7790517870
  C         4.0841060718       14.7634344122       16.0984545628
  C         5.3681542087       15.0894210324       16.8650186108
  C         5.4052640591       14.2967254273       18.1733118257
  C         5.3409552577       12.7853361833       17.9307614839
  C         4.5633696211        9.6598721123       18.1109021615
  C         4.8991941565        8.1803618787       17.8409775248
  C         5.1979235607        7.4524246786       19.1591461985
  C         4.0163772978        7.5659610915       20.1329245655
  C         3.3899674020        9.8055241858       19.0935039107
  C         3.6621551701        9.0369387208       20.3987925923
  C         4.3602750637       10.5605111255       12.0166339641
  C         4.7120705335       12.0378659822       12.2796314639
  C         5.0304053218       12.7609565773       10.9606955839
  C         3.8801073865       12.6325410677        9.9518696248
  C         3.4892487625       11.1650307962        9.7258667870
  C         3.1762348716       10.4424386954       11.0481217097
  C         7.7808142432       11.1876135829       15.5571128510
  C         7.5752718547        8.6923253038       14.3581192850
  C         8.4709816345        8.9393008783       15.5895329479
  C         9.5988665599        9.7918162826       14.9448114874
  C         8.6055669392       10.8063646327       14.3113958814
  C         7.7048596480       10.0422305907       16.3529470066
  C         7.6579619495        9.8399558950       13.5650783160
  H         2.8152377164        7.8540972636       12.6001309804
  H         4.6274068785        7.1045669078       14.9524387020
  H         2.8659713053        7.1886374517       14.9372495809
  H         2.7483899274        5.2290828299       13.4011918925
  H         3.6702003252        4.8398203320       14.8465519925
  H         5.8121521440        5.2532094184       13.5677663511
  H         4.8588298923        3.9951298639       12.7997008184
  H         5.6436245626        5.6378904916       11.0763654657
  H         3.8878962991        5.6515597870       11.2071201694
  H         4.7025677226        7.9598457247       11.1249319464
  H         5.8629565096        7.6579644060       12.4077307093
  H         2.4474137973       11.2481679890       14.0535612559
  H         1.7216015700        9.6407733071       13.9702261062
  H         1.8670669355       10.7200376578       16.3778296178
  H         2.4865943307        9.0704041769       16.2257856545
  H         3.2201588451       12.4654852789       17.6251615569
  H         4.8310857604       13.0100038075       15.0802865793
  H         3.0764981977       13.0324462924       15.2608339351
  H         4.0193295673       15.3318036498       15.1594034589
  H         3.2128726542       15.0579594615       16.7010688457
  H         5.4448066396       16.1642971578       17.0760037600
  H         6.2439843104       14.8409578458       16.2463046821
  H         6.3103860689       14.5294144176       18.7477254809
  H         4.5502459572       14.5984059704       18.7949259576
  H         6.2813428335       12.4561852610       17.4665777971
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  F        11.2165486580        9.0173712017       20.2226784431
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  C        15.7609725033       12.0581830431       15.2242376485
  C        16.7005124770       13.0218080354       14.8367307338
  C        17.0861020204       13.1509891864       13.4976047650
  C        16.5062021064       12.2863154965       12.5612295503
  C        15.5687958799       11.3262547123       12.9600198735
  C        16.8421314486       12.3972780304       11.0967781620
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  F        15.7543883765       12.8159894998       10.3460058690
  F        17.2353749227       11.1907324968       10.5611729941
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  F        18.1482853206       14.8385012841       15.4057219356
  F        17.8385941644       13.2541631626       16.9334328613
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  C        12.4460974442       10.6747185477       12.8452873649
  C        11.4659214552       10.4124469908       11.8787540727
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  C        11.6010641981        8.0759361884       12.3855185933
  C        12.5725705579        8.3414577802       13.3561054925
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  F        11.9227809111        5.6913887103       12.4654483828
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  F        10.6240263537       12.6599672582       11.7440722302
  F        11.7671053240       11.8877986084       10.0448787566
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  C        15.8547444944        8.5663317724       16.2865463841
  C        16.8097443457        7.5593674116       16.4635770085
  C        17.1180444205        6.6712184954       15.4293445268
  C        16.4816732961        6.8321046928       14.2066428370
  C        15.5552340862        7.8633073433       14.0143154882
  C        17.4840924704        7.2670986059       17.7704446125
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  F        16.7936869857        6.3147348010       18.4803809310
  F        18.7590582797        6.7893117960       17.5408088820
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  F        10.4814394439       13.7338595876       16.4321383002
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  F        15.6567074652        5.2689596002       12.6112803127
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  H        17.8317411351        5.8698331463       15.5819154010
  H        15.1041852036        7.9762316015       13.0293666471
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  F         3.3592756270       17.0875711802       18.6313507249
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  C         4.6940496136       20.0195279900       15.9746742489
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  C         3.4389363827       21.6638021466       17.2990537346
  C         2.9631361325       20.6782277215       18.1592938652
  C         2.9236627316       23.0641298731       17.4345488867
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  F         3.9023816704       24.0239327953       17.3053922121
  F         1.9923043171       23.2936996977       16.4315876196
  B         5.6121707741       19.6359952800       14.6728424729
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  C         7.2650140618       18.2755070622       16.2273671516
  C         8.2433922052       17.3075836050       16.4687310054
  C         8.6463876043       16.4199752434       15.4706478369
  C         8.0500413698       16.5416512965       14.2162454186
  C         7.0827094152       17.5237982008       13.9688758572
  C         8.4237047078       15.5962937283       13.1143821085
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  F         9.2159323460       14.5688048918       13.5620202360
  F         9.1081094717       16.2276168240       12.1008451814
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  F        10.0145049095       16.5639736503       17.8928668650
  F         7.9539385814       16.3793258307       18.6303386603
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  C         7.2159420494       21.6944156914       15.2314775547
  C         8.1647211441       22.6648650315       14.8898670674
  C         8.5895388764       22.8206921262       13.5670081696
  C         8.0391987179       21.9741601296       12.6043731147
  C         7.0866114892       21.0100383486       12.9489849940
  C         8.4039865452       22.1121787153       11.1581357093
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  F         9.3801053093       23.0319695492       10.9270564085
  F         7.3247669660       22.5145788190       10.4081710220
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  F         7.6877057432       24.3576546684       16.5043810205
  F         9.2705449326       22.8895683447       17.0030032762
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  C         4.0522693613       17.9791700612       13.2699729568
  C         3.0836047870       17.6952549762       12.2963010908
  C         2.5596190426       18.7112841937       11.4963495850
  C         3.0184294296       20.0179950692       11.7030338523
  C         3.9795792930       20.2948726471       12.6792565638
  C         2.3989759682       21.1150223927       10.8867133253
  F         2.3720229480       20.7825906344        9.5419501104
  F         1.0900053585       21.3346082947       11.2600708461
  F         3.0362884879       22.3170140661       10.9980073535
  C         2.5088459737       16.3087748647       12.1876056526
  F         1.9323237163       16.0519573228       10.9843890254
  F         3.4285282708       15.3140990012       12.3964428096
  F         1.5223644491       16.1209762568       13.1306224336
  H         4.4367298917       17.9888646764       16.6725482730
  H         4.6110165253       22.1383926666       15.5650041771
  H         2.2989438679       20.9285446404       18.9823970075
  H         6.9793738815       18.9430798758       17.0387184858
  H         9.3862283070       15.6515625876       15.6711179928
  H         6.6566397712       17.5911432633       12.9688513863
  H         6.9185771310       21.6055107130       16.2757345545
  H         9.3095882932       23.5852395343       13.2939776483
  H         6.6845637688       20.3729848622       12.1626657673
  H         4.4296955950       17.1594628957       13.8803333937
  H         1.8063386593       18.4932583516       10.7433223150
  H         4.2983834283       21.3264592303       12.8167381876
  F        15.6186680804        1.2750964603       -0.2931291859
  C        15.6625013487        1.6683560865        1.0284681425
  F        16.9917581137        1.8963416009        1.3185765455
  F        15.0495017276        2.8843871152        1.1015906195
  C        15.0748349678        0.6116686277        1.9254714116
  C        14.2232455602        0.9231371992        2.9918596962
  C        13.7269898546       -0.0722826725        3.8625653477
  C        14.1664648118       -1.3848663852        3.6272675291
  C        15.0054018509       -1.7038188569        2.5554006541
  C        15.4647150740       -0.7127494555        1.6872438571
  C        15.4679567073       -3.1196052312        2.3835473540
  F        16.0486905634       -3.3178134221        1.1712853311
  F        14.4477291972       -4.0414108142        2.4964215247
  F        16.4091097722       -3.4512389310        3.3543891263
  B        12.7855706535        0.2712671348        5.1567680975
  C        11.7368264159        1.4843555225        4.8443719166
  C        11.1270837922        1.5974669210        3.5798706053
  C        10.1464682719        2.5571075608        3.3187509659
  C         9.7317309144        3.4566463054        4.3054350597
  C        10.3177563369        3.3535629144        5.5645449499
  C        11.2916458191        2.3806510767        5.8303344156
  C         9.9538942696        4.3109913117        6.6593415914
  F        11.0922787572        4.8783465865        7.1887146078
  F         9.1361066964        5.3321178961        6.2380956038
  F         9.3073611733        3.6816953963        7.6991279629
  C         9.6231306002        2.7203187714        1.9278451375
  F         9.4967629349        1.5338989552        1.2493807429
  F         8.4024989868        3.3409165576        1.9034461368
  F        10.4693682478        3.4761728814        1.1632639462
  C        11.7817798722       -0.9611553721        5.5497079592
  C        11.2394920049       -1.8353999066        4.5900717921
  C        10.2899582238       -2.8063808090        4.9263732564
  C         9.8256174242       -2.9394242934        6.2380177449
  C        10.3410631833       -2.0708144424        7.1988180324
  C        11.2970912253       -1.1057080900        6.8610774626
  C         9.9458910897       -2.1877841784        8.6396759678
  F         9.5858726524       -0.9741310415        9.1687376275
  F         8.9075806861       -3.0503305035        8.8702054886
  F        11.0139345700       -2.6144449420        9.3929525154
  C         9.7509237787       -3.6984602194        3.8494647926
  F         8.8176252049       -4.5678498381        4.3252360796
  F        10.7196309348       -4.4526882431        3.2286368008
  F         9.1411117913       -2.9678371421        2.8540266351
  C        13.8516683539        0.6101906768        6.3534355138
  C        14.3437694263        1.9089154139        6.5642039319
  C        15.3257940034        2.1850800976        7.5254097592
  C        15.8696778417        1.1705256169        8.3095858341
  C        15.4109358676       -0.1345337005        8.1001382048
  C        14.4268206604       -0.4067390024        7.1437268683
  C        16.0229857198       -1.2295214398        8.9221096687
  F        16.0412128455       -0.8758261121       10.2619721738
  F        17.3295721548       -1.4916848132        8.5809380630
  F        15.3721109265       -2.4177335155        8.8047656897
  C        15.8738246249        3.5757961688        7.6214101843
  F        16.4771134404        3.8575018440        8.8090218094
  F        14.9137921414        4.5286456683        7.4081621084
  F        16.8298202290        3.7882588286        6.6593139377
  H        13.9416958027        1.9630856445        3.1512909141
  H        13.8459942645       -2.1852743993        4.2930537260
  H        16.1205784593       -0.9618011336        0.8575080718
  H        11.4237723777        0.9222820621        2.7783544530
  H         8.9914878024        4.2214394487        4.0918688766
  H        11.7169247316        2.3328906634        6.8317661657
  H        11.5601234054       -1.7623630682        3.5515067249
  H         9.0966658362       -3.6978071829        6.5040209817
  H        11.6706331294       -0.4472704636        7.6442496630
  H        13.9595358379        2.7327368084        5.9643177393
  H        16.6324207379        1.3886462813        9.0532410144
  H        14.1013861943       -1.4371180845        7.0105517459
  H        10.7926274397       11.7831163620        4.6853346097
  H        11.5913973303       10.0350251403        3.1239871022
     646
 i =      154, E =         0.0009157185
 Rh         3.6496280847        0.2415687497        4.8226073588
  P         5.3926563207        0.6388664253        6.2907076303
  C         5.2311478832       -0.3114438568        7.8717409140
  C         4.8442610481       -1.7872507538        7.6549223438
  C         4.5347586205       -2.4514907006        9.0070211646
  C         5.7172381554       -2.3369475870        9.9794414514
  C         6.1825120896       -0.8822120369       10.1427120385
  C         6.4584385925       -0.2027760787        8.7900940926
  C         5.6694461031        2.4065228405        6.8117279373
  C         4.6325739897        2.8260356792        7.8770888200
  C         4.6448016390        4.3343841381        8.1731286170
  C         4.5494765738        5.1677147812        6.8922933819
  C         5.6886695597        4.8044095124        5.9373066882
  C         5.6307635354        3.3168881470        5.5647731454
  C         7.0060257433        0.0987243071        5.5226137126
  C         6.9779891114        0.2350735841        3.9908309680
  P         5.3150632460       -0.2375499939        3.2962911605
  C         5.4823369333       -2.0238067642        2.7946636309
  C         4.3999570999       -2.4034334848        1.7637561540
  C         4.3872178921       -3.9072074152        1.4667237135
  C         4.2518566012       -4.7418864093        2.7423004817
  C         5.3937529863       -4.4211437606        3.7112632851
  C         5.4244091830       -2.9220879226        4.0515593218
  C         5.1191430803        0.6989604664        1.7106113906
  C         4.8344704420        2.1977831286        1.9285697247
  C         4.4299553877        2.8450329253        0.5932725099
  C         5.5088299683        2.6481572990       -0.4828533803
  C         5.8889399529        1.1676354662       -0.6465475236
  C         6.2595116451        0.5100712232        0.6960547562
  C         1.8898830829        0.3178885999        3.4714879633
  C         1.9130758635       -0.9289020916        4.1027835685
  C         1.0806199896       -0.7892280861        5.3921942072
  C         1.9515835981        0.1455592901        6.2594092996
  C         1.9274746727        1.3913581833        5.6306497552
  C         1.0415839070        1.2378656571        4.3778215410
  C        -0.0011419185        0.2138630920        4.9050908610
  H         4.3784685935        0.1802537656        8.3690361109
  H         5.6712819641       -2.3218147936        7.1636828164
  H         3.9793060086       -1.8593147675        6.9783816546
  H         4.2643710116       -3.5062694332        8.8563361658
  H         3.6499228103       -1.9657742478        9.4439200056
  H         5.4389384356       -2.7542352542       10.9581609840
  H         6.5527846707       -2.9488688497        9.6132760794
  H         7.0914294800       -0.8363420324       10.7609437329
  H         5.4040892521       -0.3117254308       10.6732932626
  H         6.7466093295        0.8445639665        8.9493054455
  H         7.3139265652       -0.6890559615        8.3037571665
  H         6.6766264133        2.4618887901        7.2559654244
  H         4.8143674631        2.2746557778        8.8093244527
  H         3.6262240955        2.5362195189        7.5436629044
  H         5.5702905831        4.5990913057        8.7045009542
  H         3.8162349574        4.5704410226        8.8562555653
  H         4.5680554729        6.2382630972        7.1393498249
  H         3.5850803288        4.9872758622        6.3945515183
  H         6.6524902227        5.0329048474        6.4121844809
  H         5.6437968255        5.4059272011        5.0198882047
  H         6.4611974434        3.0657467148        4.8883196185
  H         4.7034457825        3.1162973501        5.0035489070
  H         7.8433485707        0.6623742477        5.9588046085
  H         7.1475916913       -0.9526983745        5.8106958007
  H         7.7708872793       -0.3641406325        3.5205662160
  H         7.1483382194        1.2799655891        3.6955389538
  H         6.4725207872       -2.1373488799        2.3244716139
  H         4.5550683032       -1.8490626755        0.8281080714
  H         3.4099351711       -2.1028354489        2.1319032894
  H         5.3182090651       -4.1818535017        0.9504491279
  H         3.5658968277       -4.1255433761        0.7722493146
  H         4.2385762661       -5.8109861113        2.4897336799
  H         3.2847211614       -4.5342597776        3.2241220816
  H         5.2896724404       -4.9939690481        4.6449251284
  H         6.3523168261       -4.7214850282        3.2636354395
  H         6.2827530639       -2.7091403868        4.7048444687
  H         4.5236593522       -2.6604657019        4.6299017909
  H         4.2035244357        0.2558559263        1.2839230426
  H         5.7335167397        2.6957729529        2.3213944215
  H         4.0442642343        2.3313316588        2.6835089643
  H         4.2265741791        3.9150643233        0.7394740462
  H         3.4849718233        2.3947652248        0.2537316317
  H         6.4039585113        3.2274643807       -0.2129281798
  H         5.1577484540        3.0547543819       -1.4427300213
  H         6.7303730430        1.0657773745       -1.3476944573
  H         5.0405933987        0.6207497673       -1.0885566560
  H         7.1744073114        0.9708481662        1.0897962791
  H         6.4850152302       -0.5531487865        0.5430777131
  H         2.1257801173        0.5292873540        2.4322906252
  H         2.1792222996       -1.8849033880        3.6616949976
  H         0.7614028111       -1.7231207059        5.8604908881
  H         2.2430576070       -0.0661566243        7.2840803001
  H         2.2076908319        2.3490115150        6.0595618049
  H         0.6840530877        2.1664772348        3.9260449822
  H        -0.6185915036        0.6085699723        5.7184134018
  H        -0.6344710522       -0.1968600654        4.1117708001
 Rh        14.7203912107       19.6384232701       14.9735270291
  P        12.9633600727       19.2104519383       13.5233740890
  C        13.1373754798       20.1911943109       11.9584923501
  C        13.5121089437       21.6639948687       12.2122685882
  C        13.8471096792       22.3646820977       10.8852194156
  C        12.6858270937       22.2647834952        9.8862571755
  C        12.2452089818       20.8084507173        9.6762234185
  C        11.9371598170       20.0941104155       11.0049870474
  C        12.6757483882       17.4542798593       12.9686640834
  C        13.6923128396       17.0368517347       11.8845172435
  C        13.6165311860       15.5367192785       11.5597122171
  C        13.7773486794       14.6904829437       12.8254769934
  C        12.6807337701       15.0371964759       13.8368679289
  C        12.7160148013       16.5288429916       14.2055011012
  C        11.3444070259       19.7181926045       14.3123028295
  C        11.4073298279       19.6608751725       15.8496203489
  P        13.0783959440       20.1653651632       16.5038264620
  C        12.9044739561       21.9610831044       16.9593474960
  C        13.9828230350       22.4012654397       17.9715792307
  C        13.9876909196       23.9224865301       18.1870840211
  C        14.0968100424       24.6904378777       16.8665280583
  C        12.9501754537       24.3066999092       15.9285822773
  C        12.9616011451       22.7960489557       15.6610657511
  C        13.3278244958       19.2286648837       18.0823854233
  C        13.6071719605       17.7377888016       17.8062457805
  C        14.0264652476       17.0238689527       19.0998395580
  C        12.9645437877       17.1847410663       20.1982656103
  C        12.6200972137       18.6638112502       20.4403149343
  C        12.2248294969       19.3920999742       19.1403483387
  C        16.4571491571       19.6205676636       16.3489603682
  C        16.4720033647       20.8180637947       15.6274268237
  C        17.3211296300       20.5624246831       14.3664825344
  C        16.4391430536       19.5879540693       13.5545318176
  C        16.4202425648       18.3921539460       14.2743263501
  C        17.2929550010       18.6151944676       15.5266316033
  C        18.3706379759       19.5733958528       14.9452783752
  H        14.0055451165       19.7129016453       11.4746991691
  H        12.6704258252       22.1823096119       12.6954954464
  H        14.3613617854       21.7237960806       12.9100683456
  H        14.1029878258       23.4170818863       11.0719040567
  H        14.7472271615       21.8999707706       10.4558113837
  H        12.9766690755       22.7127812690        8.9245365078
  H        11.8347020268       22.8549687205       10.2540636354
  H        11.3561771780       20.7665218336        9.0295771768
  H        13.0468312456       20.2612031684        9.1557720554
  H        11.6653312683       19.0483932320       10.8120973867
  H        11.0621174120       20.5595503483       11.4767690996
  H        11.6647529811       17.4173019916       12.5307619185
  H        13.5206304624       17.6180001089       10.9686025109
  H        14.7125678870       17.2795528874       12.2159654694
  H        12.6475811121       15.3080255326       11.0923883444
  H        14.3882023928       15.2869125129       10.8174798756
  H        13.7560887090       13.6207704760       12.5741732205
  H        14.7652575921       14.8749142010       13.2740539908
  H        11.7000194649       14.7750141687       13.4162098629
  H        12.7951219358       14.4489210442       14.7572885862
  H        11.8779787211       16.7670307538       14.8780156409
  H        13.6354788753       16.7393419146       14.7753257621
  H        10.5305969001       19.0848583971       13.9301046586
  H        11.1320707104       20.7416854882       13.9726548521
  H        10.6209745570       20.2802070239       16.3047246432
  H        11.2446709070       18.6318357056       16.1999312641
  H        11.9116300825       22.0882157101       17.4201897354
  H        13.8251729428       21.8976994367       18.9354614843
  H        14.9762125134       22.0863482322       17.6228943857
  H        13.0631710440       24.2204117853       18.7024698387
  H        14.8184607341       24.1870900415       18.8548122591
  H        14.1005709071       25.7713580664       17.0610880209
  H        15.0598280465       24.4717202311       16.3816098030
  H        13.0273971497       24.8363972992       14.9683588192
  H        11.9893395707       24.6010196410       16.3735687278
  H        12.1280637037       22.5234008941       14.9982315898
  H        13.8835783805       22.5327463768       15.1180311626
  H        14.2546024964       19.6704680377       18.4864263843
  H        12.7006996246       17.2599082384       17.4053244854
  H        14.3836849862       17.6365352730       17.0316020503
  H        14.2087873335       15.9596642121       18.8918084406
  H        14.9849279269       17.4400941961       19.4453804082
  H        12.0546823256       16.6398390011       19.9063366613
  H        13.3140162204       16.7214820561       21.1322476578
  H        11.7994961866       18.7474785909       21.1681428092
  H        13.4910866148       19.1710662017       20.8854922073
  H        11.2839717153       18.9733913719       18.7587991129
  H        12.0356194101       20.4531051538       19.3471478918
  H        16.2091840353       19.4952988457       17.3992643039
  H        16.2210239499       21.8093850917       15.9938250694
  H        17.6718763938       21.4506707358       13.8355786009
  H        16.1663614361       19.7291314399       12.5131928221
  H        16.1152691198       17.4126029697       13.9149494504
  H        17.6171442918       17.7142925532       16.0529117559
  H        18.9935207556       19.1055176357       14.1753259814
  H        18.9998309524       20.0273481231       15.7199024593
 Rh         5.9517283078       10.0595514587       14.9878369132
  P         4.1619305829        9.6050883282       13.5924720114
  C         3.8062409777        7.8503508902       13.0844356025
  C         3.7417102552        6.9308040189       14.3224459006
  C         3.6858275216        5.4446049983       13.9330164424
  C         4.8667308911        5.0682666360       13.0355235965
  C         4.8136492817        5.8934725180       11.7490569713
  C         4.8559873678        7.3981703207       12.0517147066
  C         2.5774901294       10.2036993020       14.3691114427
  C         2.6455624772       10.1078546952       15.9006325330
  P         4.3267404396       10.6012533037       16.5341496761
  C         4.1496772239       12.3792060266       17.0394041523
  C         4.0184765233       13.2622827199       15.7788577413
  C         4.0841853258       14.7631514327       16.0983318508
  C         5.3680337216       15.0894794130       16.8650460969
  C         5.4050308692       14.2965906761       18.1733603579
  C         5.3409282542       12.7851963839       17.9306969751
  C         4.5630761457        9.6596039075       18.1109401614
  C         4.8985264217        8.1800437513       17.8410493381
  C         5.1973589929        7.4521125056       19.1590621475
  C         4.0161569912        7.5658329680       20.1331378768
  C         3.3899303886        9.8055263074       19.0938371646
  C         3.6623694299        9.0369093994       20.3990719424
  C         4.3601502545       10.5608702715       12.0164665542
  C         4.7124109208       12.0380050212       12.2792689120
  C         5.0307814807       12.7611230898       10.9604350586
  C         3.8804230165       12.6329941344        9.9516326721
  C         3.4890365496       11.1656051360        9.7256242087
  C         3.1761771913       10.4428613279       11.0479052154
  C         7.7804847124       11.1876589467       15.5572487983
  C         7.5752343813        8.6924335702       14.3582423571
  C         8.4707787603        8.9396294006       15.5895456736
  C         9.5986782330        9.7921037578       14.9450340512
  C         8.6051605575       10.8063107056       14.3117385740
  C         7.7045989244       10.0422246328       16.3529937887
  C         7.6578704857        9.8400890384       13.5652730282
  H         2.8155354149        7.8538508154       12.5999862980
  H         4.6284979088        7.1049494345       14.9522016212
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  F        11.2165390383        9.0173658550       20.2227125680
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  C        12.7612849403        9.4014644672       16.9800105518
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  C        15.7609052212       12.0581946428       15.2242741434
  C        16.7004956297       13.0218339730       14.8368351564
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  C        16.5062480604       12.2863300916       12.5611583728
  C        15.5688423173       11.3262534789       12.9600990108
  C        16.8419378586       12.3971678715       11.0970095248
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  F        15.7543559312       12.8160196451       10.3459422233
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  F        18.1482201421       14.8384447133       15.4057541193
  F        17.8385742086       13.2541746432       16.9334161781
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  C        12.4462967737       10.6742526344       12.8455640173
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  C        11.0269589631        6.6993863394       12.2313980563
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  F        10.6241386556       12.6596690929       11.7439626093
  F        11.7669770694       11.8876838789       10.0451394852
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  C        16.8096953378        7.5593173983       16.4633259190
  C        17.1180481101        6.6715374149       15.4297228708
  C        16.4814429048        6.8323298104       14.2065815794
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  C        17.4839829730        7.2670276456       17.7699930788
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  F        16.7935390702        6.3145227041       18.4805993729
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  F         3.3592353680       17.0876451063       18.6313582733
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  C         4.6936686301       20.0194887474       15.9752255969
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  C         2.9628800815       20.6777518084       18.1595450415
  C         2.9231450485       23.0648209054       17.4350433397
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  F         3.9022196638       24.0236315344       17.3054086889
  F         1.9926243901       23.2934788487       16.4318030466
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  C         7.2651103156       18.2752435579       16.2274671221
  C         8.2433364818       17.3076190118       16.4687497863
  C         8.6464578316       16.4200600628       15.4707309548
  C         8.0500737630       16.5415183769       14.2160847938
  C         7.0826456484       17.5236538478       13.9688116751
  C         8.4236821058       15.5964746930       13.1146408961
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  F         9.2159844985       14.5687196402       13.5620123015
  F         9.1082021874       16.2276612288       12.1007113039
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  F        10.0145867492       16.5639364698       17.8929071266
  F         7.9539063855       16.3792968170       18.6303990477
  C         6.6349456072       20.8474053444       14.2686449253
  C         7.2159808542       21.6942951146       15.2317188419
  C         8.1648465019       22.6649813041       14.8899576551
  C         8.5894526342       22.8206508363       13.5669076226
  C         8.0391681706       21.9741158568       12.6043841125
  C         7.0867802255       21.0100562103       12.9488184983
  C         8.4038818627       22.1120684214       11.1583294809
  F         8.8235270029       20.9053817817       10.6312854653
  F         9.3802479163       23.0321182112       10.9269873921
  F         7.3246985242       22.5146168456       10.4081029752
  C         8.6821240691       23.5845220977       15.9565460668
  F         9.6015801111       24.4687974400       15.4764389588
  F         7.6876546910       24.3577132615       16.5044294458
  F         9.2705646767       22.8895631810       17.0030436535
  C         4.5420610005       19.2818188020       13.4816487773
  C         4.0523903517       17.9787048105       13.2702425055
  C         3.0834794150       17.6950301838       12.2962088565
  C         2.5596779638       18.7116193700       11.4962909092
  C         3.0185808656       20.0178675770       11.7032092701
  C         3.9792368676       20.2950242566       12.6788714776
  C         2.3990007432       21.1146941666       10.8867446690
  F         2.3720060456       20.7826249515        9.5418715263
  F         1.0898766153       21.3346619132       11.2600589029
  F         3.0364656531       22.3173283228       10.9980205439
  C         2.5089107141       16.3089130502       12.1876911809
  F         1.9323028750       16.0519349334       10.9843583857
  F         3.4285460361       15.3140513799       12.3964371477
  F         1.5223836713       16.1209771091       13.1305894136
  H         4.4367798644       17.9884269702       16.6724896784
  H         4.6111782727       22.1384999996       15.5651382756
  H         2.2988763480       20.9285249463       18.9821436523
  H         6.9792164254       18.9429680342       17.0388255321
  H         9.3864082831       15.6516733661       15.6710545851
  H         6.6565248566       17.5910004486       12.9689716079
  H         6.9187690601       21.6053342345       16.2756794650
  H         9.3094489613       23.5853366045       13.2939674170
  H         6.6846159452       20.3728843511       12.1627130606
  H         4.4295543373       17.1596857686       13.8801961927
  H         1.8063335127       18.4932208579       10.7432858721
  H         4.2984096829       21.3264454950       12.8168110612
  F        15.6186512647        1.2751041308       -0.2929689073
  C        15.6625932816        1.6686011789        1.0283305191
  F        16.9915776388        1.8962748203        1.3185591979
  F        15.0496038654        2.8841800848        1.1015989745
  C        15.0748692358        0.6115968727        1.9254532547
  C        14.2230883962        0.9230754142        2.9918660998
  C        13.7269388681       -0.0723218879        3.8623957682
  C        14.1662740155       -1.3848047682        3.6271796702
  C        15.0054345390       -1.7037779813        2.5553198284
  C        15.4648431206       -0.7127958791        1.6873371719
  C        15.4679409834       -3.1195988966        2.3835538447
  F        16.0486946093       -3.3178108399        1.1712744359
  F        14.4477266261       -4.0414124266        2.4964148412
  F        16.4091068221       -3.4512376201        3.3543766997
  B        12.7855517720        0.2712846263        5.1567282801
  C        11.7366438750        1.4846317287        4.8443005820
  C        11.1272397016        1.5975332524        3.5801301321
  C        10.1463730114        2.5572467818        3.3186875953
  C         9.7317093123        3.4566877551        4.3054332266
  C        10.3177103679        3.3536002100        5.5644408987
  C        11.2917463153        2.3804947943        5.8300574493
  C         9.9538093982        4.3111656033        6.6595449502
  F        11.0921838202        4.8782540369        7.1886228383
  F         9.1361637336        5.3320162626        6.2380975257
  F         9.3074755970        3.6817422389        7.6989581761
  C         9.6231304813        2.7203071451        1.9278204641
  F         9.4967623944        1.5339355978        1.2494054153
  F         8.4024723397        3.3409375383        1.9034482858
  F        10.4693658153        3.4761870353        1.1632578885
  C        11.7816845358       -0.9610335494        5.5496354379
  C        11.2393097933       -1.8352651796        4.5899727420
  C        10.2898637777       -2.8063781053        4.9264430884
  C         9.8257975884       -2.9393721477        6.2379634324
  C        10.3409655158       -2.0709223771        7.1988144152
  C        11.2970830915       -1.1055452332        6.8611205927
  C         9.9459343633       -2.1877917292        8.6396078306
  F         9.5858478723       -0.9740668653        9.1687881041
  F         8.9075754787       -3.0503365225        8.8702092707
  F        11.0139549239       -2.6144529329        9.3929757368
  C         9.7509427506       -3.6984006219        3.8494849962
  F         8.8175927018       -4.5678787092        4.3252523067
  F        10.7196595474       -4.4527197354        3.2286100580
  F         9.1410850315       -2.9678237773        2.8539917361
  C        13.8515676220        0.6101928709        6.3532721457
  C        14.3438193020        1.9090985288        6.5641332940
  C        15.3257274892        2.1850691205        7.5252686513
  C        15.8698791597        1.1705546974        8.3096505679
  C        15.4107185578       -0.1345788897        8.0998606966
  C        14.4269446649       -0.4069551838        7.1438848049
  C        16.0230048880       -1.2295543204        8.9221578618
  F        16.0412039317       -0.8758208886       10.2619418578
  F        17.3295958636       -1.4916874273        8.5809006619
  F        15.3721017783       -2.4177006468        8.8047345709
  C        15.8739162890        3.5757193878        7.6214911407
  F        16.4770704169        3.8574816646        8.8089549772
  F        14.9136836244        4.5287503255        7.4081033622
  F        16.8298493293        3.7882795360        6.6592711847
  H        13.9415258528        1.9630909012        3.1511290951
  H        13.8456878192       -2.1853499242        4.2928390962
  H        16.1208627625       -0.9617425980        0.8577341508
  H        11.4238299127        0.9223414275        2.7781913487
  H         8.9914709024        4.2214496315        4.0918652876
  H        11.7169618361        2.3329452439        6.8318319090
  H        11.5598010572       -1.7620799838        3.5514187468
  H         9.0968083588       -3.6980023221        6.5040841522
  H        11.6705279996       -0.4472034640        7.6441622899
  H        13.9595785346        2.7326787521        5.9642680502
  H        16.6324551903        1.3886008875        9.0530201860
  H        14.1013190922       -1.4370018226        7.0105457601
  H        10.7922576937       11.7833786771        4.6837829694
  H        11.5911157504       10.0342200040        3.1238030118
     646
 i =      155, E =         0.0000356243
 Rh         3.6496571530        0.2415771274        4.8226151563
  P         5.3926835071        0.6388697321        6.2907292659
  C         5.2311644544       -0.3114966757        7.8717225426
  C         4.8443349104       -1.7872801668        7.6548977243
  C         4.5347680030       -2.4515960224        9.0069035437
  C         5.7172018502       -2.3370632623        9.9793762891
  C         6.1825232218       -0.8823445630       10.1427279639
  C         6.4584026612       -0.2028110582        8.7901384396
  C         5.6694338845        2.4065306275        6.8117476671
  C         4.6325422572        2.8260562969        7.8770885250
  C         4.6449788866        4.3344120125        8.1731420942
  C         4.5495211128        5.1677444373        6.8923357433
  C         5.6885828999        4.8044227182        5.9371916710
  C         5.6308490681        3.3168623276        5.5647718528
  C         7.0060673475        0.0987682011        5.5226213167
  C         6.9779887748        0.2351606116        3.9908418632
  P         5.3151031204       -0.2375689469        3.2962990368
  C         5.4823243801       -2.0238005853        2.7947335048
  C         4.4001701766       -2.4034683436        1.7637034041
  C         4.3871828565       -3.9072251542        1.4668270773
  C         4.2519522117       -4.7418446782        2.7423843791
  C         5.3937933404       -4.4211074102        3.7113127441
  C         5.4245577006       -2.9220966978        4.0515457022
  C         5.1191090413        0.6989421168        1.7106237783
  C         4.8343747972        2.1977416724        1.9286224943
  C         4.4299281470        2.8450567202        0.5933082204
  C         5.5089094113        2.6482486348       -0.4827947048
  C         5.8888970225        1.1676602532       -0.6465453115
  C         6.2594307603        0.5099958266        0.6960316144
  C         1.8899139652        0.3178815973        3.4715056539
  C         1.9130720177       -0.9288489319        4.1028574315
  C         1.0806954409       -0.7890096093        5.3921520609
  C         1.9515950586        0.1456406658        6.2593819234
  C         1.9275274332        1.3914458106        5.6305939119
  C         1.0416703091        1.2378273705        4.3778116425
  C        -0.0010979277        0.2139502279        4.9051295938
  H         4.3784459353        0.1801892687        8.3690261547
  H         5.6713618915       -2.3218250224        7.1636509010
  H         3.9793666037       -1.8593555124        6.9782574228
  H         4.2643657169       -3.5063291823        8.8562044691
  H         3.6499032946       -1.9658558610        9.4438261625
  H         5.4389074416       -2.7543976838       10.9580698906
  H         6.5527746163       -2.9489774230        9.6131918548
  H         7.0913790253       -0.8364950537       10.7609404673
  H         5.4040453004       -0.3118801985       10.6733289191
  H         6.7465431319        0.8445186020        8.9494107434
  H         7.3139444508       -0.6890468251        8.3037927395
  H         6.6766265878        2.4619068867        7.2560158707
  H         4.8142610030        2.2746386912        8.8093077313
  H         3.6262094264        2.5363568911        7.5436004245
  H         5.5704646324        4.5990322231        8.7044203553
  H         3.8164199980        4.5705251753        8.8563769257
  H         4.5681572155        6.2382869642        7.1393747712
  H         3.5850768211        4.9873320770        6.3946650697
  H         6.6525200590        5.0329975712        6.4120042936
  H         5.6436174337        5.4058535250        5.0198046670
  H         6.4611979182        3.0657413480        4.8883728484
  H         4.7034427457        3.1162216531        5.0035252390
  H         7.8433667535        0.6624254041        5.9588034106
  H         7.1476488723       -0.9526619187        5.8107054639
  H         7.7709396938       -0.3641134506        3.5205624293
  H         7.1483457207        1.2799766660        3.6955463060
  H         6.4726675769       -2.1373373401        2.3244968890
  H         4.5552467906       -1.8491493628        0.8281067271
  H         3.4099934554       -2.1027616179        2.1318623140
  H         5.3182568471       -4.1819544356        0.9504804003
  H         3.5659184224       -4.1255648959        0.7723466578
  H         4.2385635031       -5.8109961705        2.4898654407
  H         3.2847787832       -4.5341820019        3.2242602345
  H         5.2898293702       -4.9939648550        4.6449744233
  H         6.3524154974       -4.7214651095        3.2636110704
  H         6.2828278782       -2.7091121809        4.7048808924
  H         4.5237081929       -2.6604515089        4.6299452976
  H         4.2034663055        0.2558021905        1.2839656132
  H         5.7334131938        2.6957396816        2.3215030146
  H         4.0441539949        2.3312482545        2.6834805867
  H         4.2265762176        3.9150745686        0.7395490367
  H         3.4850051828        2.3948102014        0.2536881471
  H         6.4040368102        3.2274228162       -0.2127073422
  H         5.1579264468        3.0549113839       -1.4426016099
  H         6.7303253142        1.0657944908       -1.3476875508
  H         5.0405188257        0.6208835635       -1.0885665074
  H         7.1743850070        0.9707207945        1.0897849830
  H         6.4848520048       -0.5531864148        0.5430060171
  H         2.1258242786        0.5292505781        2.4322764756
  H         2.1792367115       -1.8849101211        3.6617580769
  H         0.7613857508       -1.7230788853        5.8606073464
  H         2.2431003371       -0.0660106564        7.2841208585
  H         2.2077777634        2.3491156299        6.0594748218
  H         0.6841079026        2.1665611778        3.9259547058
  H        -0.6185330732        0.6087026328        5.7184032789
  H        -0.6344567691       -0.1967880917        4.1117927140
 Rh        14.7204120586       19.6384493240       14.9735070346
  P        12.9634121212       19.2104677904       13.5233469490
  C        13.1374000267       20.1912241088       11.9584831311
  C        13.5121172375       21.6639973320       12.2122375850
  C        13.8471176930       22.3647453005       10.8852306232
  C        12.6857903503       22.2648307895        9.8862951217
  C        12.2451285170       20.8085211196        9.6762304992
  C        11.9371975308       20.0941152044       11.0049845974
  C        12.6758203237       17.4542796165       12.9686890944
  C        13.6924051886       17.0368227959       11.8845895828
  C        13.6165849686       15.5367333772       11.5597388315
  C        13.7773279960       14.6904729961       12.8254807511
  C        12.6806889091       15.0372190141       13.8368124193
  C        12.7161785477       16.5288340704       14.2055204930
  C        11.3444713922       19.7183388547       14.3122238992
  C        11.4073523813       19.6607616373       15.8495465441
  P        13.0783732708       20.1653512632       16.5037887848
  C        12.9044437402       21.9610454084       16.9593540453
  C        13.9828119618       22.4011496190       17.9715601802
  C        13.9876456970       23.9223758935       18.1871719215
  C        14.0968529571       24.6903563253       16.8666361370
  C        12.9502561099       24.3067411766       15.9286383662
  C        12.9612831518       22.7960854894       15.6611148268
  C        13.3278376396       19.2286646116       18.0823652751
  C        13.6072203273       17.7377861127       17.8062259942
  C        14.0264290774       17.0239035272       19.0998860456
  C        12.9644057350       17.1847614642       20.1982128534
  C        12.6201360396       18.6638703416       20.4402874589
  C        12.2247715036       19.3921363225       19.1402966543
  C        16.4571400876       19.6205446148       16.3491297452
  C        16.4721076512       20.8178685848       15.6273343818
  C        17.3211046308       20.5625522563       14.3663634004
  C        16.4392334577       19.5880084547       13.5548007888
  C        16.4201369787       18.3919428362       14.2741197447
  C        17.2929919870       18.6153250704       15.5264670717
  C        18.3706682579       19.5733932030       14.9452387323
  H        14.0055897201       19.7129133638       11.4746338998
  H        12.6704865177       22.1822995124       12.6955205522
  H        14.3614422280       21.7237990788       12.9100533030
  H        14.1029794367       23.4171036740       11.0719129071
  H        14.7472237989       21.9000222308       10.4557717724
  H        12.9766191435       22.7128492653        8.9245560841
  H        11.8346916260       22.8550181981       10.2541224971
  H        11.3561176345       20.7666040912        9.0296430227
  H        13.0467712265       20.2612623762        9.1557280075
  H        11.6653455844       19.0484281353       10.8120949128
  H        11.0621311845       20.5595677237       11.4768286485
  H        11.6648295849       17.4172696231       12.5307917741
  H        13.5207745220       17.6180312373       10.9686443927
  H        14.7126577129       17.2795192933       12.2160602966
  H        12.6476678453       15.3080826672       11.0923339655
  H        14.3883097190       15.2869120552       10.8175216058
  H        13.7559471957       13.6207096079       12.5741081258
  H        14.7652256602       14.8747375620       13.2740531556
  H        11.7000140694       14.7751225926       13.4162146414
  H        12.7950703629       14.4488813750       14.7572927939
  H        11.8781226614       16.7670704415       14.8781234160
  H        13.6356172511       16.7392855497       14.7752822106
  H        10.5305767569       19.0850770158       13.9299257661
  H        11.1322826502       20.7418133366       13.9726866597
  H        10.6209186960       20.2800937255       16.3046947034
  H        11.2447222935       18.6317696031       16.1997479354
  H        11.9115560582       22.0881310285       17.4202937147
  H        13.8252345093       21.8975218285       18.9354031909
  H        14.9761682498       22.0862877716       17.6227688608
  H        13.0631553836       24.2202630827       18.7025130216
  H        14.8184310249       24.1869225781       18.8549430751
  H        14.1007173040       25.7712684793       17.0612215006
  H        15.0598613543       24.4715563013       16.3817108077
  H        13.0274655179       24.8364266020       14.9684920251
  H        11.9893441169       24.6011823183       16.3736963180
  H        12.1277877338       22.5235827904       14.9984418487
  H        13.8833305832       22.5327039744       15.1179054426
  H        14.2545769568       19.6704815351       18.4863776438
  H        12.7007552647       17.2598865237       17.4052586688
  H        14.3837518294       17.6365495326       17.0316684253
  H        14.2087402190       15.9596612778       18.8918519622
  H        14.9848518902       17.4400914169       19.4454526360
  H        12.0545880452       16.6399400607       19.9062569869
  H        13.3138455735       16.7214740752       21.1322461124
  H        11.7994559515       18.7475813859       21.1681360151
  H        13.4910573529       19.1710700523       20.8854249854
  H        11.2839692369       18.9734262045       18.7587606347
  H        12.0356160570       20.4531288874       19.3470770700
  H        16.2092763909       19.4952386893       17.3991073499
  H        16.2210411408       21.8094674962       15.9939048164
  H        17.6718559313       21.4506584962       13.8356019674
  H        16.1662788389       19.7292249565       12.5129876737
  H        16.1153136224       17.4127952903       13.9149253113
  H        17.6172040237       17.7141998511       16.0528259531
  H        18.9935079646       19.1055304526       14.1751860107
  H        18.9998708359       20.0273114086       15.7197823334
 Rh         5.9516794013       10.0595437098       14.9878461945
  P         4.1619383743        9.6051553163       13.5924345526
  C         3.8062100959        7.8503945855       13.0843704815
  C         3.7419935657        6.9308839251       14.3224941483
  C         3.6858917443        5.4446329483       13.9331553076
  C         4.8667675905        5.0682260357       13.0355035719
  C         4.8136551178        5.8934914878       11.7490496772
  C         4.8562169243        7.3981733788       12.0518160950
  C         2.5774451991       10.2036540671       14.3690650990
  C         2.6455105548       10.1078425101       15.9006066301
  P         4.3266970227       10.6012077514       16.5341530983
  C         4.1496200590       12.3791720715       17.0394112001
  C         4.0186202590       13.2622278056       15.7788219377
  C         4.0842336156       14.7631324189       16.0981816549
  C         5.3679749348       15.0894443605       16.8650952953
  C         5.4050061979       14.2965658910       18.1733523627
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  C         4.6939551622       20.0195181908       15.9748649853
  C         4.2790846190       21.3390984262       16.2260763184
  C         3.4389560994       21.6637636467       17.2990436325
  C         2.9629664830       20.6780719275       18.1593255285
  C         2.9234153870       23.0644691158       17.4347712961
  F         2.2997326854       23.2921771242       18.6243955068
  F         3.9023058452       24.0237970271       17.3054014408
  F         1.9924509501       23.2936046860       16.4316859155
  B         5.6121921257       19.6359275097       14.6728457928
  C         6.6479777363       18.4086362325       14.9714178268
  C         7.2649598333       18.2753614130       16.2274557762
  C         8.2434089577       17.3075417649       16.4687676648
  C         8.6464607263       16.4200393876       15.4706243995
  C         8.0500642024       16.5415849989       14.2162225681
  C         7.0826332049       17.5236612556       13.9688975430
  C         8.4237098266       15.5963542352       13.1144968284
  F         7.3130003391       15.0304507768       12.5392034492
  F         9.2159398909       14.5687890868       13.5620137649
  F         9.1081442269       16.2276391458       12.1007949754
  C         8.7838387512       17.1547759851       17.8521988393
  F         8.9101033003       18.3672966715       18.4839235304
  F        10.0145303521       16.5639643080       17.8928813058
  F         7.9539294801       16.3793214581       18.6303559010
  C         6.6350465655       20.8474754759       14.2686267962
  C         7.2160524793       21.6942886581       15.2315641147
  C         8.1647709415       22.6648670912       14.8899062088
  C         8.5894610869       22.8206992532       13.5669936181
  C         8.0391926969       21.9741254845       12.6043425137
  C         7.0867043228       21.0099747585       12.9489448537
  C         8.4039352371       22.1121217158       11.1582316408
  F         8.8235108933       20.9053981908       10.6313181812
  F         9.3801622167       23.0320306921       10.9270308349
  F         7.3247373371       22.5145905844       10.4081503306
  C         8.6821660928       23.5846088729       15.9566018476
  F         9.6015564461       24.4687653870       15.4764479586
  F         7.6876832380       24.3576706738       16.5043992041
  F         9.2705503820       22.8895601905       17.0030250242
  C         4.5419088746       19.2817601527       13.4815010002
  C         4.0522679540       17.9790256756       13.2700360189
  C         3.0835830488       17.6951906478       12.2962659866
  C         2.5596744458       18.7113511531       11.4963335204
  C         3.0184538869       20.0180020092       11.7030366847
  C         3.9794888343       20.2949353518       12.6791581193
  C         2.3990268112       21.1147978771       10.8867389299
  F         2.3720120764       20.7826156900        9.5419254477
  F         1.0899390280       21.3346392664       11.2601017543
  F         3.0363856785       22.3171892641       10.9980178833
  C         2.5088562502       16.3088191720       12.1876275367
  F         1.9323237281       16.0519540024       10.9843848933
  F         3.4285419709       15.3140892794       12.3964412180
  F         1.5223867590       16.1209862881       13.1306030826
  H         4.4367132680       17.9887199844       16.6725165255
  H         4.6112348911       22.1384636689       15.5651546002
  H         2.2987787052       20.9285130487       18.9821976364
  H         6.9792070892       18.9429008385       17.0388137680
  H         9.3864418807       15.6517092569       15.6710486925
  H         6.6564794621       17.5909704830       12.9689421269
  H         6.9187814370       21.6052866763       16.2757773321
  H         9.3094147284       23.5853486136       13.2939535437
  H         6.6846316410       20.3728585335       12.1626984083
  H         4.4296252573       17.1595054716       13.8803293747
  H         1.8063571976       18.4932481918       10.7432900488
  H         4.2983884083       21.3264351375       12.8167951412
  F        15.6186627613        1.2751025327       -0.2930616830
  C        15.6625444425        1.6684665931        1.0284031786
  F        16.9916862163        1.8963167958        1.3185689890
  F        15.0495485601        2.8842976113        1.1015968150
  C        15.0748613788        0.6116347046        1.9254645629
  C        14.2231190237        0.9230960870        2.9917747016
  C        13.7268726760       -0.0723177235        3.8624311293
  C        14.1662828345       -1.3848693399        3.6271129274
  C        15.0053967416       -1.7038035977        2.5553730031
  C        15.4648844284       -0.7127672150        1.6873319968
  C        15.4679411669       -3.1195898938        2.3835509707
  F        16.0486936597       -3.3178130224        1.1712774100
  F        14.4477264224       -4.0414090199        2.4964170145
  F        16.4091035413       -3.4512387491        3.3543747670
  B        12.7855160891        0.2713047004        5.1566961357
  C        11.7367881609        1.4845065238        4.8443134010
  C        11.1271204919        1.5975915349        3.5798997049
  C        10.1464486810        2.5571921174        3.3187381800
  C         9.7316811070        3.4567096401        4.3053976572
  C        10.3177491957        3.3535839979        5.5644839649
  C        11.2916760594        2.3806615822        5.8302317441
  C         9.9538454631        4.3110906027        6.6594464586
  F        11.0922277997        4.8782974632        7.1886661740
  F         9.1361298891        5.3320733480        6.2380992572
  F         9.3074197493        3.6817200621        7.6990403605
  C         9.6231251732        2.7203193049        1.9278152233
  F         9.4967629322        1.5339237958        1.2493964525
  F         8.4024714228        3.3409356851        1.9034419689
  F        10.4693685491        3.4761901182        1.1632508322
  C        11.7816517988       -0.9610136726        5.5496448768
  C        11.2392584127       -1.8352377270        4.5899914969
  C        10.2899056088       -2.8063362490        4.9263569841
  C         9.8257102018       -2.9394852489        6.2380248723
  C        10.3410568328       -2.0708157705        7.1988160526
  C        11.2970064299       -1.1056168186        6.8610585343
  C         9.9459116715       -2.1877994048        8.6396387770
  F         9.5858639988       -0.9740962655        9.1687599664
  F         8.9075830418       -3.0503305953        8.8702085855
  F        11.0139479239       -2.6144453858        9.3929625163
  C         9.7509222891       -3.6984234825        3.8494833997
  F         8.8176109440       -4.5678634114        4.3252414174
  F        10.7196440889       -4.4526980219        3.2286282379
  F         9.1411003141       -2.9678300648        2.8540067999
  C        13.8516598152        0.6101891659        6.3533507565
  C        14.3437670723        1.9089482074        6.5640965601
  C        15.3258225404        2.1850554424        7.5253522426
  C        15.8697232650        1.1705190477        8.3094681407
  C        15.4108810351       -0.1345563168        8.1000096515
  C        14.4268058767       -0.4068218285        7.1437140927
  C        16.0229757581       -1.2295294609        8.9221083359
  F        16.0412055654       -0.8758147250       10.2619475161
  F        17.3295951646       -1.4916824704        8.5809087962
  F        15.3721015493       -2.4177227661        8.8047449075
  C        15.8738770780        3.5757450050        7.6214501405
  F        16.4770874986        3.8574865019        8.8089734034
  F        14.9137271144        4.5287136826        7.4081238325
  F        16.8298506584        3.7882773702        6.6592734372
  H        13.9414874381        1.9630816549        3.1510995058
  H        13.8456242050       -2.1853498826        4.2927837101
  H        16.1209279140       -0.9617344845        0.8577827115
  H        11.4238321109        0.9223999295        2.7782350019
  H         8.9914610622        4.2214583539        4.0918659043
  H        11.7169421347        2.3329474480        6.8317513085
  H        11.5597319037       -1.7620206232        3.5513885679
  H         9.0968931780       -3.6979921129        6.5040751634
  H        11.6705263900       -0.4471507708        7.6441891405
  H        13.9595693272        2.7327268694        5.9642238240
  H        16.6325428419        1.3886076369        9.0530540635
  H        14.1012942515       -1.4370500968        7.0105478897
  H        10.7922150572       11.7834729542        4.6834397927
  H        11.5910500694       10.0340328044        3.1237604599
     646
 i =      156, E =         0.0024563988
 Rh         3.6498089981        0.2416211622        4.8226662920
  P         5.3927958355        0.6388870665        6.2908190335
  C         5.2312164811       -0.3116863255        7.8716954186
  C         4.8445765871       -1.7874451921        7.6546700857
  C         4.5347744748       -2.4519779109        9.0064466781
  C         5.7170951954       -2.3376160095        9.9790644394
  C         6.1824239389       -0.8829168437       10.1427612930
  C         6.4582911593       -0.2030079994        8.7903272332
  C         5.6694389145        2.4065547775        6.8118639666
  C         4.6324588808        2.8261848515        7.8770726705
  C         4.6455862468        4.3345186530        8.1732423539
  C         4.5497206920        5.1678672318        6.8924849418
  C         5.6883582662        4.8044592538        5.9368316159
  C         5.6309440179        3.3167647749        5.5647765910
  C         7.0062254699        0.0989587866        5.5226545848
  C         6.9780707683        0.2353741049        3.9908699651
  P         5.3152416108       -0.2376082396        3.2963589872
  C         5.4826168897       -2.0238055772        2.7948871864
  C         4.4007630148       -2.4035817946        1.7636736094
  C         4.3873127474       -3.9073513166        1.4671708487
  C         4.2522055071       -4.7417190807        2.7428248108
  C         5.3941789677       -4.4210100140        3.7114834876
  C         5.4249937447       -2.9220771956        4.0516277827
  C         5.1189182744        0.6988197951        1.7106687561
  C         4.8340214708        2.1975725817        1.9287914804
  C         4.4298907648        2.8451656893        0.5934709305
  C         5.5092301782        2.6485555759       -0.4823994931
  C         5.8887222912        1.1678270048       -0.6465174318
  C         6.2590862847        0.5097723805        0.6959385900
  C         1.8900819301        0.3178906494        3.4714981043
  C         1.9131383108       -0.9287321691        4.1030844851
  C         1.0808236331       -0.7885407775        5.3922751272
  C         1.9517479249        0.1461242906        6.2593765026
  C         1.9278012911        1.3918167974        5.6303954927
  C         1.0419358418        1.2380171632        4.3776391013
  C        -0.0009284422        0.2143479080        4.9051996970
  H         4.3783685104        0.1798765471        8.3689615167
  H         5.6717382289       -2.3218739269        7.1635049830
  H         3.9797132228       -1.8595321255        6.9777473135
  H         4.2643358440       -3.5066565871        8.8555906412
  H         3.6498544944       -1.9662528944        9.4433726222
  H         5.4387600347       -2.7551433560       10.9576654495
  H         6.5527096774       -2.9494634822        9.6128168406
  H         7.0912187690       -0.8371928837       10.7609700987
  H         5.4038862662       -0.3126104326       10.6734747811
  H         6.7462398834        0.8443217960        8.9498928143
  H         7.3140003716       -0.6889856719        8.3039677305
  H         6.6765916227        2.4619838503        7.2562417193
  H         4.8137756929        2.2745560863        8.8092362612
  H         3.6261101872        2.5369812428        7.5433136974
  H         5.5713371542        4.5987813370        8.7040911685
  H         3.8173455244        4.5708925370        8.8568725911
  H         4.5686222119        6.2383993234        7.1394927962
  H         3.5850621662        4.9875856979        6.3952046828
  H         6.6525412291        5.0334075141        6.4111258423
  H         5.6427867254        5.4055614023        5.0193476558
  H         6.4613038902        3.0656903469        4.8885413633
  H         4.7035393538        3.1158889593        5.0034730269
  H         7.8434676405        0.6626722148        5.9588073345
  H         7.1479112054       -0.9524843763        5.8107410952
  H         7.7711066364       -0.3639266045        3.5205852300
  H         7.1483850562        1.2801208063        3.6955558663
  H         6.4731639469       -2.1372524630        2.3247016645
  H         4.5560949419       -1.8494998166        0.8280130365
  H         3.4104446569       -2.1024746537        2.1315935562
  H         5.3183350232       -4.1823879780        0.9506938564
  H         3.5659636500       -4.1256664512        0.7727709018
  H         4.2385177621       -5.8109862830        2.4904737810
  H         3.2851057931       -4.5338395972        3.2248635815
  H         5.2905328367       -4.9939344249        4.6451977596
  H         6.3527718458       -4.7213522094        3.2635419441
  H         6.2832062470       -2.7089789451        4.7050507589
  H         4.5240454728       -2.6604195041        4.6300836098
  H         4.2032132090        0.2555660728        1.2841709825
  H         5.7329145878        2.6955815181        2.3219938858
  H         4.0436013128        2.3308736333        2.6834010042
  H         4.2265693565        3.9151335479        0.7398987419
  H         3.4851080037        2.3950039585        0.2534774479
  H         6.4044197297        3.2272585934       -0.2116960906
  H         5.1587118195        3.0556644706       -1.4420914424
  H         6.7301040323        1.0658664666       -1.3476586748
  H         5.0401547526        0.6214813796       -1.0886256338
  H         7.1742479488        0.9701197603        1.0897160281
  H         6.4841161143       -0.5534194828        0.5426746369
  H         2.1260127807        0.5290790903        2.4322438258
  H         2.1792758084       -1.8848833552        3.6620874046
  H         0.7614117399       -1.7226002100        5.8609896141
  H         2.2432579658       -0.0653422857        7.2842141252
  H         2.2081582647        2.3495630049        6.0590613397
  H         0.6844279335        2.1667618187        3.9256272264
  H        -0.6182762291        0.6093169200        5.7183909452
  H        -0.6343660421       -0.1964482922        4.1119292812
 Rh        14.7204870879       19.6385294856       14.9734383567
  P        12.9636386027       19.2105657090       13.5232307929
  C        13.1375765160       20.1912981037       11.9583799606
  C        13.5122684535       21.6640349309       12.2121801437
  C        13.8471247931       22.3649421632       10.8852368314
  C        12.6856441583       22.2650745479        9.8864352373
  C        12.2448922999       20.8087998396        9.6762853017
  C        11.9372723818       20.0942146934       11.0050186426
  C        12.6761656915       17.4542813770       12.9688210431
  C        13.6928197882       17.0367751748       11.8848414378
  C        13.6168756606       15.5367791542       11.5598227730
  C        13.7771613936       14.6902868157       12.8254292102
  C        12.6806374215       15.0372943668       13.8367418208
  C        12.7167071218       16.5288244280       14.2056285471
  C        11.3447327079       19.7188108515       14.3118890251
  C        11.4073867450       19.6604591588       15.8492088098
  P        13.0782806460       20.1652751413       16.5036153026
  C        12.9041153663       21.9608807775       16.9594271950
  C        13.9827523305       22.4006753801       17.9714551289
  C        13.9875476572       23.9218361052       18.1875477244
  C        14.0970858109       24.6899663079       16.8671193548
  C        12.9503453074       24.3069297620       15.9290742112
  C        12.9603201885       22.7962602824       15.6613569993
  C        13.3278201111       19.2286585948       18.0822354903
  C        13.6073625425       17.7377864611       17.8062047992
  C        14.0262047241       17.0239654761       19.1000349306
  C        12.9639261271       17.1849070822       20.1980734268
  C        12.6200431529       18.6640906362       20.4401562734
  C        12.2246521966       19.3922813083       19.1400927175
  C        16.4573348742       19.6204160590       16.3490997358
  C        16.4723301324       20.8177145876       15.6272814530
  C        17.3210765631       20.5627038754       14.3661759267
  C        16.4392380244       19.5882673821       13.5548274431
  C        16.4200571991       18.3919097859       14.2737192668
  C        17.2931452320       18.6153432978       15.5260323487
  C        18.3707614038       19.5734097063       14.9448554952
  H        14.0057446735       19.7130001529       11.4743697677
  H        12.6707365775       22.1822672104       12.6956451173
  H        14.3617332466       21.7238077068       12.9099309416
  H        14.1029490805       23.4172553137       11.0719678567
  H        14.7471845536       21.9002739170       10.4556061397
  H        12.9763724137       22.7131492402        8.9246752401
  H        11.8346277692       22.8552555813       10.2543982858
  H        11.3557829606       20.7669802962        9.0299096230
  H        13.0464466603       20.2615673252        9.1555501089
  H        11.6654048813       19.0485571563       10.8120793414
  H        11.0622415627       20.5596130868       11.4770737627
  H        11.6651693096       17.4171184341       12.5309310953
  H        13.5214387449       17.6181391663       10.9688878996
  H        14.7130606312       17.2793632517       12.2164949804
  H        12.6480500427       15.3083408050       11.0920888304
  H        14.3887709643       15.2869213832       10.8177368362
  H        13.7553051601       13.6205163973       12.5738290105
  H        14.7651218604       14.8739519290       13.2740796397
  H        11.6998886469       14.7756000943       13.4161851421
  H        12.7948174213       14.4487532815       14.7572247707
  H        11.8788595074       16.7672309863       14.8785574101
  H        13.6363219427       16.7390355014       14.7751204512
  H        10.5305396320       19.0861276023       13.9291352479
  H        11.1332272150       20.7424912287       13.9728125240
  H        10.6207381399       20.2795099873       16.3045223962
  H        11.2449399416       18.6313648556       16.1989364756
  H        11.9113116126       22.0877231683       17.4207423737
  H        13.8255077637       21.8967007797       18.9351512046
  H        14.9759842257       22.0860147502       17.6222004546
  H        13.0630194016       24.2196026521       18.7027459932
  H        14.8182622777       24.1861526419       18.8555211081
  H        14.1013785727       25.7708598744       17.0618279935
  H        15.0600030401       24.4708142823       16.3821939004
  H        13.0277899437       24.8366019523       14.9690174560
  H        11.9895160888       24.6018973866       16.3742100528
  H        12.1263515545       22.5243645238       14.9992880761
  H        13.8820050205       22.5325508502       15.1174233855
  H        14.2544945090       19.6705627589       18.4861815671
  H        12.7010298491       17.2597970730       17.4049684110
  H        14.3841038921       17.6366078629       17.0319241702
  H        14.2085229537       15.9596871186       18.8920607641
  H        14.9845512603       17.4401050539       19.4458105872
  H        12.0540775940       16.6403627483       19.9058651458
  H        13.3130442387       16.7214550720       21.1321907800
  H        11.7993565266       18.7480442481       21.1680489193
  H        13.4910257538       19.1711378832       20.8851612539
  H        11.2839011919       18.9735587099       18.7585706689
  H        12.0355870506       20.4532652848       19.3467583750
  H        16.2095836507       19.4949259409       17.3988757393
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 Rh        12.6560064635        9.8063243755        4.6978681957
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  C        13.1712820048       12.2944636635        7.4361042368
  C        15.9607454506        9.6320618992        5.4493023989
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  C        14.4469414003        5.2320827551        3.6000089406
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  C         5.7346047610       10.4834841101        2.9571760111
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  F        11.2165468026        9.0173563536       20.2226831490
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  C        11.4396703455       11.0395688046       18.2031094723
  C        11.8888975964       12.0127703874       17.3107737389
  C        12.7685762189       11.6834651495       16.2711650450
  C        13.2423375158       10.3737046093       16.0773536399
  C        12.7612502608        9.4011918751       16.9799541377
  B        14.1538795732        9.9818086733       14.7700876446
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  C        15.7608660477       12.0582309672       15.2242099577
  C        16.7004615779       13.0217917566       14.8367204352
  C        17.0860863049       13.1509392172       13.4976171346
  C        16.5061988212       12.2862554090       12.5612319765
  C        15.5688386776       11.3261476697       12.9600227647
  C        16.8421433472       12.3972728216       11.0967536012
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  F        15.7543916111       12.8159879944       10.3460146205
  F        17.2353645432       11.1907300557       10.5611766008
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  F        16.2460375527       14.6728525482       16.4976626991
  F        18.1482825849       14.8384947670       15.4057162503
  F        17.8385880211       13.2541641135       16.9334211686
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  C        12.4460350405       10.6747642869       12.8452437365
  C        11.4659550078       10.4124215384       11.8787356506
  C        11.0446740756        9.1068022278       11.6263949369
  C        11.6010230843        8.0759752320       12.3855583674
  C        12.5723029568        8.3414110819       13.3562683955
  C        11.0269172526        6.6992917666       12.2313687799
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  F        11.9227661913        5.6913819365       12.4654483526
  F        10.0060218881        6.4974004412       13.1315371490
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  F        10.6240156570       12.6599785667       11.7440708341
  F        11.7671196477       11.8878111265       10.0448442085
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  C        15.8546410085        8.5662574469       16.2865072977
  C        16.8097464263        7.5594251734       16.4636106878
  C        17.1182240914        6.6712616146       15.4292566592
  C        16.4816069686        6.8321012451       14.2065834046
  C        15.5550401329        7.8631698618       14.0144597229
  C        17.4840975822        7.2670897106       17.7704464273
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  F        16.7936913713        6.3147517999       18.4803707365
  F        18.7590455365        6.7893161325       17.5408087320
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  F        10.7857632717       13.6684578274       18.6261175825
  F        10.4814377326       13.7338544224       16.4321455083
  F        12.4023364631       14.3404820540       17.3058492480
  F        17.6306779779        4.8720827935       13.4875161883
  F        17.3767115322        6.5267634472       12.0281414772
  F        15.6566973152        5.2689447294       12.6112611759
  C        16.7876387432        5.8815212224       13.0908258734
  H        10.7505636019       11.2954439186       19.0030454642
  H        13.0883782340       12.4721571878       15.5913241450
  H        13.0660636329        8.3637169172       16.8576096742
  H        15.4879810370       11.9918503222       16.2764481378
  H        17.7987892460       13.9111916156       13.1926979188
  H        15.1421033494       10.6724183628       12.2008925338
  H        12.7466715891       11.7081348062       13.0150527141
  H        10.2853103122        8.8981167027       10.8789992390
  H        12.9645315967        7.5107246913       13.9396112586
  H        15.6264783282        9.2294613939       17.1206412778
  H        17.8320366731        5.8701424456       15.5817526790
  H        15.1037785693        7.9759136673       13.0294491926
  F         2.7317526800       18.6332323864       20.0998013657
  C         2.7305801438       18.2906984762       18.7678507348
  F         1.4066157048       18.0787652516       18.4736524193
  F         3.3592727658       17.0875691072       18.6313435103
  C         3.3383029249       19.3552945062       17.9097843926
  C         4.1814232042       19.0326474650       16.8414640210
  C         4.6941267293       20.0195613138       15.9746932826
  C         4.2790353275       21.3393285840       16.2262466234
  C         3.4389336948       21.6637482704       17.2990519084
  C         2.9629595131       20.6782450636       18.1591229621
  C         2.9236958019       23.0640770263       17.4344949496
  F         2.2993858099       23.2923973845       18.6248683175
  F         3.9023789823       24.0239571442       17.3054020726
  F         1.9922881747       23.2937253747       16.4315815124
  B         5.6121536548       19.6358781713       14.6729301610
  C         6.6479875792       18.4084731015       14.9714831831
  C         7.2648566589       18.2752816644       16.2274701445
  C         8.2433674830       17.3075643700       16.4687753164
  C         8.6465915456       16.4200098319       15.4706012387
  C         8.0500027427       16.5416394599       14.2162468472
  C         7.0825747480       17.5235782209       13.9689993270
  C         8.4237278153       15.5962634799       13.1143829757
  F         7.3130724616       15.0305238811       12.5392834620
  F         9.2159212603       14.5688209892       13.5620223951
  F         9.1080941780       16.2276234593       12.1008730108
  C         8.7838847000       17.1547852429       17.8522807377
  F         8.9100864821       18.3672132148       18.4838519590
  F        10.0145016298       16.5639726221       17.8928674019
  F         7.9539363481       16.3793311839       18.6303312800
  C         6.6351913224       20.8474743319       14.2686268664
  C         7.2161531366       21.6941688621       15.2315309195
  C         8.1647386062       22.6647674852       14.8898931917
  C         8.5894091182       22.8207280428       13.5670198658
  C         8.0392011661       21.9741121055       12.6043631492
  C         7.0866868670       21.0098472518       12.9490412272
  C         8.4039880377       22.1121696101       11.1581213757
  F         8.8234955572       20.9053987850       10.6313537178
  F         9.3800827908       23.0319517824       10.9270730691
  F         7.3247700771       22.5145661419       10.4081976182
  C         8.6821905471       23.5846544047       15.9566565061
  F         9.6015457879       24.4687497761       15.4764520119
  F         7.6877122822       24.3576294946       16.5043700265
  F         9.2705395376       22.8895580323       17.0030078555
  C         4.5417673052       19.2817433934       13.4813770911
  C         4.0522131899       17.9792071040       13.2699523609
  C         3.0836573073       17.6952437001       12.2963000509
  C         2.5596753602       18.7112412542       11.4963003434
  C         3.0184721319       20.0180328047       11.7030045427
  C         3.9796147077       20.2948480464       12.6793138632
  C         2.3990133217       21.1149879145       10.8867387126
  F         2.3720282149       20.7825890281        9.5419516218
  F         1.0900171080       21.3346107890       11.2600192743
  F         3.0362960697       22.3169889813       10.9980159574
  C         2.5088300281       16.3087596463       12.1875827331
  F         1.9323301033       16.0519660079       10.9843955629
  F         3.4285473873       15.3141276480       12.3964445752
  F         1.5223786875       16.1209916464       13.1306239203
  H         4.4366417377       17.9888867254       16.6725217182
  H         4.6114085186       22.1384485662       15.5653051810
  H         2.2985570420       20.9284933287       18.9821471796
  H         6.9790811249       18.9427361197       17.0388821757
  H         9.3866008795       15.6518494251       15.6709884369
  H         6.6563364191       17.5908258966       12.9689752539
  H         6.9189405815       21.6051016926       16.2758530778
  H         9.3092815296       23.5854425635       13.2939244991
  H         6.6846934051       20.3727530174       12.1627084987
  H         4.4296279471       17.1593889708       13.8804284003
  H         1.8064048027       18.4932576906       10.7432821993
  H         4.2983769556       21.3264161744       12.8168199837
  F        15.6186770721        1.2751006929       -0.2931557974
  C        15.6625065557        1.6683516678        1.0284713515
  F        16.9917873253        1.8963557464        1.3185742013
  F        15.0495026157        2.8844028979        1.1015906231
  C        15.0748982378        0.6116382435        1.9254375358
  C        14.2230336714        0.9231130486        2.9916717988
  C        13.7267510718       -0.0723224995        3.8623505310
  C        14.1661210311       -1.3849298372        3.6270205679
  C        15.0054062808       -1.7038252430        2.5553422064
  C        15.4649776443       -0.7127158250        1.6874511466
  C        15.4679306957       -3.1195956796        2.3835460052
  F        16.0486868316       -3.3178003462        1.1712829559
  F        14.4477226666       -4.0413963153        2.4964173547
  F        16.4090959728       -3.4512298397        3.3543655035
  B        12.7854559540        0.2713400789        5.1566222192
  C        11.7368627996        1.4845182769        4.8442674329
  C        11.1271304230        1.5976333259        3.5797361642
  C        10.1464209714        2.5572713892        3.3187280299
  C         9.7317117296        3.4566972878        4.3054076722
  C        10.3176963530        3.3536685591        5.5644632758
  C        11.2916786700        2.3807625060        5.8303119695
  C         9.9538837450        4.3110114362        6.6593408386
  F        11.0922751693        4.8783508702        7.1887161484
  F         9.1360868783        5.3321430492        6.2381026466
  F         9.3073545616        3.6816990931        7.6991320124
  C         9.6231226811        2.7203432605        1.9278078804
  F         9.4967573310        1.5339145649        1.2493811144
  F         8.4024770061        3.3409268423        1.9034351894
  F        10.4693646832        3.4762012123        1.1632399420
  C        11.7814921853       -0.9609506256        5.5496011417
  C        11.2391458218       -1.8350167096        4.5899281434
  C        10.2898222658       -2.8063373323        4.9263709829
  C         9.8258275517       -2.9394869379        6.2380405901
  C        10.3410263210       -2.0708557602        7.1987755838
  C        11.2969806280       -1.1055106197        6.8609916423
  C         9.9459119643       -2.1877755566        8.6396782492
  F         9.5858776330       -0.9741349485        9.1687309551
  F         8.9075923733       -3.0503308517        8.8701980552
  F        11.0139444984       -2.6144447287        9.3929498703
  C         9.7509059060       -3.6984315927        3.8494535716
  F         8.8176290002       -4.5678455863        4.3252423862
  F        10.7196257421       -4.4526768586        3.2286530303
  F         9.1411081977       -2.9678363892        2.8540204900
  C        13.8516777696        0.6101849038        6.3533056823
  C        14.3438474919        1.9088807355        6.5641165865
  C        15.3257331884        2.1851014790        7.5251766629
  C        15.8698181892        1.1704805177        8.3094447451
  C        15.4108586813       -0.1346558743        8.0999465502
  C        14.4267991609       -0.4066946705        7.1436699880
  C        16.0229732211       -1.2295004832        8.9220616179
  F        16.0412036856       -0.8758052852       10.2619478106
  F        17.3295862871       -1.4916758236        8.5809175846
  F        15.3720944427       -2.4177318839        8.8047425728
  C        15.8738637922        3.5757768006        7.6214032731
  F        16.4771100696        3.8575019927        8.8089899849
  F        14.9137893938        4.5286408154        7.4081489016
  F        16.8298431581        3.7882744717        6.6592705529
  H        13.9413267812        1.9630373724        3.1509412913
  H        13.8453336314       -2.1853840700        4.2925393494
  H        16.1212494193       -0.9616996970        0.8579648698
  H        11.4238590306        0.9225582898        2.7782212413
  H         8.9913895326        4.2215207910        4.0918500610
  H        11.7169346902        2.3329904199        6.8316722100
  H        11.5594004757       -1.7617465992        3.5513114902
  H         9.0970598145       -3.6981695315        6.5041252292
  H        11.6704352663       -0.4470522875        7.6441457544
  H        13.9595782622        2.7327632631        5.9641193711
  H        16.6326104077        1.3885640202        9.0528794919
  H        14.1011930131       -1.4370999716        7.0105346740
  H        10.7919218837       11.7838212854        4.6818441791
  H        11.5907560044       10.0331823115        3.1235685687
     646
 i =      157, E =         0.0018548986
 Rh         3.6500068805        0.2416737402        4.8227271297
  P         5.3929351039        0.6389011258        6.2909245753
  C         5.2312599152       -0.3118704401        7.8717115400
  C         4.8447775013       -1.7876864606        7.6542482598
  C         4.5347378315       -2.4523934046        9.0059644447
  C         5.7170104244       -2.3383130431        9.9786840893
  C         6.1821923760       -0.8836118895       10.1427507117
  C         6.4581964832       -0.2032802607        8.7905513838
  C         5.6694722326        2.4065769456        6.8120141896
  C         4.6324273355        2.8263796908        7.8770440150
  C         4.6461583188        4.3346250569        8.1733791700
  C         4.5499935109        5.1679992429        6.8926378355
  C         5.6881987507        4.8044612901        5.9365335860
  C         5.6308323528        3.3166784186        5.5648231503
  C         7.0063860341        0.0991546542        5.5226956459
  C         6.9782440859        0.2354763265        3.9908822487
  P         5.3153744813       -0.2376319634        3.2964522500
  C         5.4832692411       -2.0238339327        2.7949380942
  C         4.4011832254       -2.4036407523        1.7637703780
  C         4.3876540917       -3.9075583627        1.4674580830
  C         4.2523680340       -4.7416809458        2.7433962625
  C         5.3948101812       -4.4209937439        3.7117042174
  C         5.4253687464       -2.9219667588        4.0519063968
  C         5.1186415428        0.6986361714        1.7107112570
  C         4.8336492883        2.1973705211        1.9289087104
  C         4.4299509899        2.8452733200        0.5936711445
  C         5.5095641646        2.6488019386       -0.4817820677
  C         5.8885185603        1.1681044944       -0.6464277252
  C         6.2586762691        0.5095879803        0.6958225512
  C         1.8903016535        0.3178800768        3.4714766246
  C         1.9132720164       -0.9286374337        4.1032667061
  C         1.0808601363       -0.7882698278        5.3926187088
  C         1.9519989984        0.1467329830        6.2594912691
  C         1.9281491642        1.3922813280        5.6301517780
  C         1.0421923462        1.2384172554        4.3773834810
  C        -0.0007233519        0.2148386088        4.9051923848
  H         4.3782970848        0.1794775534        8.3688651134
  H         5.6721946034       -2.3219253580        7.1633341346
  H         3.9802227613       -1.8597379849        6.9771910329
  H         4.2643009707       -3.5070765896        8.8548261381
  H         3.6498361420       -1.9667651839        9.4427908907
  H         5.4385762708       -2.7560575284       10.9571643649
  H         6.5526118406       -2.9500480760        9.6123649436
  H         7.0910815463       -0.8380473929       10.7610454026
  H         5.4037105946       -0.3135159957       10.6736484943
  H         6.7458686621        0.8440932135        8.9504845024
  H         7.3140469861       -0.6888959015        8.3041934701
  H         6.6765373921        2.4620752474        7.2565199595
  H         4.8131846180        2.2744492189        8.8091560559
  H         3.6259513626        2.5377394016        7.5429586425
  H         5.5724814780        4.5984935120        8.7037236541
  H         3.8185410598        4.5713318995        8.8574386923
  H         4.5691919805        6.2385496578        7.1396418289
  H         3.5850278121        4.9878893908        6.3958729758
  H         6.6524869415        5.0339014357        6.4100091202
  H         5.6417611733        5.4052512212        5.0187097060
  H         6.4615283451        3.0656010535        4.8886733109
  H         4.7037280711        3.1154873695        5.0034421619
  H         7.8436144830        0.6629928825        5.9588234691
  H         7.1482313060       -0.9522353154        5.8107716501
  H         7.7712463753       -0.3636406497        3.5206494114
  H         7.1484379857        1.2803793140        3.6955452508
  H         6.4736172446       -2.1371215417        2.3250295519
  H         4.5571530529       -1.8499141084        0.8278610687
  H         3.4111565708       -2.1021733235        2.1311996956
  H         5.3183295988       -4.1828994888        0.9510114749
  H         3.5660101149       -4.1257875003        0.7733018252
  H         4.2384746681       -5.8108838114        2.4912366126
  H         3.2855604034       -4.5334302113        3.2255821732
  H         5.2913896389       -4.9938584019        4.6454259704
  H         6.3531319129       -4.7211953072        3.2634900270
  H         6.2836592264       -2.7088247567        4.7052273087
  H         4.5245716759       -2.6604157117        4.6301895460
  H         4.2029287951        0.2552898414        1.2844367911
  H         5.7323001106        2.6953913764        2.3225984961
  H         4.0428779118        2.3304204839        2.6833557631
  H         4.2265424285        3.9152397047        0.7403368966
  H         3.4851846582        2.3952276265        0.2532061893
  H         6.4049340754        3.2270934336       -0.2104495448
  H         5.1596443916        3.0566305335       -1.4415570624
  H         6.7298576979        1.0659441972       -1.3476475498
  H         5.0396764406        0.6221920406       -1.0887182710
  H         7.1740632675        0.9693736740        1.0896205799
  H         6.4832257642       -0.5537524990        0.5422670528
  H         2.1262415586        0.5288676098        2.4322023241
  H         2.1793060850       -1.8848042851        3.6625251095
  H         0.7615068063       -1.7218371870        5.8613677039
  H         2.2434204790       -0.0645168070        7.2842454469
  H         2.2086183180        2.3501067727        6.0585531928
  H         0.6848482382        2.1669347906        3.9252560320
  H        -0.6179778628        0.6100807612        5.7184113009
  H        -0.6342417292       -0.1960271775        4.1121179687
 Rh        14.7205811589       19.6386044029       14.9733592228
  P        12.9639042160       19.2106955920       13.5230923739
  C        13.1378490566       20.1913286254       11.9581901397
  C        13.5125591119       21.6640979934       12.2121701059
  C        13.8470884402       22.3651074023       10.8852019886
  C        12.6854950629       22.2653778977        9.8865848111
  C        12.2447056472       20.8091137993        9.6763822883
  C        11.9372948851       20.0943923040       11.0050872102
  C        12.6765787133       17.4542889782       12.9689885055
  C        13.6933579423       17.0368143025       11.8850823728
  C        13.6172459810       15.5368009603       11.5598478077
  C        13.7769510251       14.6899280910       12.8253304280
  C        12.6806469306       15.0373315461       13.8368154078
  C        12.7171943860       16.5288563071       14.2058077868
  C        11.3450361876       19.7192126435       14.3115122054
  C        11.4073862930       19.6602656928       15.8487764939
  P        13.0781679646       20.1651613291       16.5034104268
  C        12.9035914621       21.9606853379       16.9595392593
  C        13.9826438324       22.4001558789       17.9713177280
  C        13.9875367361       23.9211283013       18.1879527746
  C        14.0973613702       24.6894799086       16.8677231353
  C        12.9502584901       24.3071419748       15.9297548248
  C        12.9595250782       22.7965024304       15.6617003969
  C        13.3277254626       19.2286466614       18.0820410481
  C        13.6074498752       17.7377884974       17.8062283293
  C        14.0259157907       17.0239722490       19.1001674563
  C        12.9634306894       17.1851111225       20.1979856834
  C        12.6197270253       18.6643331272       20.4399767623
  C        12.2246342019       19.3924038211       19.1398618499
  C        16.4577330187       19.6202198827       16.3485676085
  C        16.4724387604       20.8179363552       15.6274547280
  C        17.3211426833       20.5626728651       14.3661514690
  C        16.4389630829       19.5885024577       13.5541399657
  C        16.4202279281       18.3925026897       14.2735576586
  C        17.2932846957       18.6150562765       15.5256709312
  C        18.3708147129       19.5734251495       14.9442606831
  H        14.0058888866       19.7131373924       11.4740753100
  H        12.6710085097       22.1822486508       12.6958114816
  H        14.3620335412       21.7238141366       12.9097391260
  H        14.1029218698       23.4174957759       11.0720488448
  H        14.7471284863       21.9005885989       10.4554074429
  H        12.9760570829       22.7135155761        8.9248337706
  H        11.8345252860       22.8555637379       10.2547463924
  H        11.3553181209       20.7674416376        9.0302033998
  H        13.0460150937       20.2619663599        9.1553449594
  H        11.6654749237       19.0486951540       10.8120567131
  H        11.0624072304       20.5596454426       11.4773540048
  H        11.6655938497       17.4169331572       12.5311089298
  H        13.5222591473       17.6182328818       10.9692388056
  H        14.7135232128       17.2791631741       12.2170197510
  H        12.6485312097       15.3086609864       11.0918017926
  H        14.3892998868       15.2869471426       10.8180352939
  H        13.7545178080       13.6203671665       12.5735035704
  H        14.7649958926       14.8730005182       13.2741200119
  H        11.6996861385       14.7761810037       13.4161202434
  H        12.7944924380       14.4486576435       14.7570432787
  H        11.8798393749       16.7674065049       14.8790264741
  H        13.6372223228       16.7387314424       14.7749358108
  H        10.5305350351       19.0874518568       13.9281835600
  H        11.1343599339       20.7434163874       13.9729428314
  H        10.6205658913       20.2787496868       16.3042876030
  H        11.2451917885       18.6307766998       16.1979641619
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 Rh        12.6558442650        9.8063476502        4.6978869194
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  F         0.1943405946        5.0747942434        4.3301417660
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  F        11.2165368000        9.0173477253       20.2227246144
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  C        13.2421791650       10.3737218575       16.0774595446
  C        12.7611374597        9.4013989890       16.9798750519
  B        14.1539904808        9.9817551600       14.7701180377
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  C        15.7607809947       12.0582318915       15.2242383499
  C        16.7004500944       13.0218273616       14.8368231481
  C        17.0860680782       13.1508767184       13.4975057855
  C        16.5062434704       12.2862656295       12.5611614610
  C        15.5688850240       11.3261315923       12.9601113583
  C        16.8419468189       12.3971627684       11.0969968221
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  F        15.7543584495       12.8160210059       10.3459472515
  F        17.2354097993       11.1906246866       10.5610656657
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  F        18.1482217248       14.8384424504       15.4057422888
  F        17.8385734198       13.2541722080       16.9334049402
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  C        11.4659644937       10.4125588511       11.8786962962
  C        11.0446132777        9.1066359200       11.6262379321
  C        11.6008831062        8.0758129614       12.3855047702
  C        12.5723455047        8.3422048424       13.3563870175
  C        11.0269352268        6.6993798270       12.2313987257
  F        10.4971133659        6.4947373480       10.9940388903
  F        11.9227786561        5.6913544189       12.4654554043
  F        10.0059981115        6.4973922806       13.1315521180
  C        10.9015742917       11.5268735336       11.0436890087
  F         9.7393965919       11.1775884891       10.4115064437
  F        10.6241239366       12.6596980952       11.7439622930
  F        11.7669842200       11.8877001637       10.0451163192
  C        15.1890740348        8.7406140272       15.0509167690
  C        15.8548976754        8.5661079957       16.2869981714
  C        16.8097229372        7.5593082479       16.4632701077
  C        17.1181425887        6.6717010049       15.4296069576
  C        16.4814565579        6.8322772127       14.2066331337
  C        15.5549774574        7.8626742126       14.0137030362
  C        17.4839923140        7.2670467283       17.7700523772
  F        17.6134835017        8.3291853156       18.6224284537
  F        16.7935501157        6.3145452695       18.4805776862
  F        18.7591799007        6.7892614287       17.5408204894
  C        11.3920302307       13.4254431921       17.4307798941
  F        10.7858133678       13.6684290741       18.6260405035
  F        10.4814826621       13.7338263376       16.4321834137
  F        12.4022966675       14.3404352212       17.3058565033
  F        17.6305255609        4.8722756839       13.4874935674
  F        17.3766021749        6.5267207097       12.0283229266
  F        15.6569474497        5.2691516153       12.6114584600
  C        16.7876453664        5.8812624528       13.0905211536
  H        10.7507119764       11.2954716755       19.0031745068
  H        13.0883476972       12.4721443697       15.5913430276
  H        13.0659138453        8.3635256359       16.8574747175
  H        15.4878695843       11.9919376591       16.2763790055
  H        17.7987790036       13.9111500642       13.1927066756
  H        15.1421571659       10.6722847657       12.2008703455
  H        12.7466881628       11.7083271465       13.0150390806
  H        10.2855341090        8.8981129930       10.8788936415
  H        12.9643638924        7.5105032470       13.9399592719
  H        15.6263957838        9.2293608564       17.1205225691
  H        17.8323560353        5.8701301125       15.5816752419
  H        15.1036977944        7.9757284460       13.0298668714
  F         2.7317574767       18.6332300887       20.0997480447
  C         2.7304712348       18.2905854241       18.7679456796
  F         1.4066195224       18.0787709534       18.4736590740
  F         3.3592319884       17.0876446124       18.6313477871
  C         3.3382769406       19.3555073621       17.9096602836
  C         4.1814767660       19.0336249984       16.8411720738
  C         4.6937011230       20.0194832772       15.9753251463
  C         4.2795404364       21.3387404697       16.2259098578
  C         3.4388598210       21.6639912911       17.2991024972
  C         2.9626529072       20.6777214372       18.1594116031
  C         2.9231640732       23.0647747767       17.4350124514
  F         2.3000557709       23.2919646761       18.6239418272
  F         3.9022191930       24.0236465942       17.3054142173
  F         1.9926078143       23.2934955297       16.4317890019
  B         5.6122411269       19.6357981780       14.6728416411
  C         6.6477609778       18.4085057933       14.9715436548
  C         7.2649190273       18.2750268007       16.2276047508
  C         8.2433690367       17.3075108466       16.4687524946
  C         8.6465872202       16.4202034433       15.4706766231
  C         8.0501109765       16.5414412889       14.2161449642
  C         7.0824545112       17.5234338417       13.9688785599
  C         8.4236777611       15.5964657681       13.1146365980
  F         7.3129192205       15.0303799616       12.5391313596
  F         9.2159950595       14.5687061799       13.5620197752
  F         9.1082037557       16.2276616564       12.1007223751
  C         8.7838120909       17.1547347050       17.8521166427
  F         8.9101182606       18.3673668526       18.4839804299
  F        10.0145963016       16.5639250930       17.8929066395
  F         7.9538978781       16.3792844307       18.6304049259
  C         6.6350967316       20.8471994150       14.2687043445
  C         7.2162256632       21.6940514532       15.2318312319
  C         8.1648862767       22.6648973201       14.8899978921
  C         8.5893128959       22.8206876020       13.5668927467
  C         8.0391519748       21.9740436365       12.6043963921
  C         7.0869090971       21.0098804979       12.9488233368
  C         8.4038859245       22.1120556232       11.1583242546
  F         8.8235240852       20.9053441969       10.6312965340
  F         9.3802385029       23.0321121946       10.9269878834
  F         7.3246953633       22.5146134367       10.4081090068
  C         8.6821385744       23.5844913216       15.9565584018
  F         9.6015848897       24.4688018483       15.4764391438
  F         7.6876526746       24.3577042148       16.5044250164
  F         9.2705682217       22.8895548426       17.0030523792
  C         4.5420117476       19.2817992229       13.4816602739
  C         4.0523578969       17.9786357813       13.2702749758
  C         3.0834902707       17.6950262621       12.2961541384
  C         2.5597775759       18.7116099884       11.4962543269
  C         3.0186418920       20.0178245705       11.7031922603
  C         3.9792425223       20.2950236360       12.6788831347
  C         2.3990038711       21.1147294979       10.8867740059
  F         2.3720093147       20.7826120028        9.5418944222
  F         1.0899296467       21.3346436839       11.2601083093
  F         3.0364602129       22.3172653891       10.9980258442
  C         2.5089136659       16.3089168990       12.1876826446
  F         1.9322937110       16.0519328756       10.9843517202
  F         3.4285627036       15.3140651962       12.3964368543
  F         1.5223780346       16.1209751409       13.1305966176
  H         4.4366946613       17.9883960040       16.6724522830
  H         4.6116135105       22.1385947797       15.5654516511
  H         2.2984565337       20.9284743472       18.9818617366
  H         6.9788921776       18.9425849979       17.0389995319
  H         9.3868507044       15.6519549188       15.6709192795
  H         6.6562007035       17.5906494356       12.9691318828
  H         6.9191653337       21.6048819838       16.2758114223
  H         9.3091129813       23.5855598759       13.2939119040
  H         6.6847528937       20.3726175229       12.1627544683
  H         4.4294566163       17.1596572282       13.8802673561
  H         1.8064133316       18.4932156097       10.7432365483
  H         4.2984107341       21.3264115022       12.8169050920
  F        15.6186536772        1.2751107211       -0.2929869021
  C        15.6626185105        1.6685864062        1.0283204325
  F        16.9915940733        1.8962825254        1.3185533227
  F        15.0496023458        2.8841890176        1.1016011128
  C        15.0748945243        0.6116046501        1.9254659980
  C        14.2228830102        0.9230353704        2.9916296509
  C        13.7266736141       -0.0723605747        3.8621675649
  C        14.1659323247       -1.3848733778        3.6268622914
  C        15.0053920496       -1.7037922766        2.5553224645
  C        15.4651705094       -0.7127703526        1.6875149351
  C        15.4679276683       -3.1195929233        2.3835395520
  F        16.0486875204       -3.3178000268        1.1712724582
  F        14.4477140012       -4.0413939911        2.4964130371
  F        16.4090911033       -3.4512304852        3.3543541762
  B        12.7854286422        0.2713531558        5.1565794131
  C        11.7366893318        1.4848074032        4.8441856531
  C        11.1272563910        1.5977722151        3.5800216044
  C        10.1463833570        2.5573321792        3.3186156834
  C         9.7316100645        3.4568252241        4.3053898623
  C        10.3177169501        3.3536698309        5.5644396821
  C        11.2917236352        2.3806514732        5.8299551403
  C         9.9537889561        4.3111790576        6.6595164766
  F        11.0921896532        4.8782659241        7.1886327484
  F         9.1361350314        5.3320598681        6.2381094760
  F         9.3074658381        3.6817415673        7.6989722862
  C         9.6231009353        2.7203618062        1.9277848889
  F         9.4967603875        1.5339401606        1.2494015396
  F         8.4024600179        3.3409364646        1.9034321601
  F        10.4693645955        3.4762147620        1.1632304764
  C        11.7814060958       -0.9607650526        5.5495141524
  C        11.2388377308       -1.8349372802        4.5898500204
  C        10.2898198977       -2.8062366326        4.9263625562
  C         9.8259150001       -2.9395690842        6.2380013929
  C        10.3410339262       -2.0708334876        7.1988149802
  C        11.2968796881       -1.1054142950        6.8610431036
  C         9.9459462832       -2.1877979196        8.6395984892
  F         9.5858580917       -0.9740761475        9.1687764484
  F         8.9075870709       -3.0503378600        8.8702081187
  F        11.0139645332       -2.6144497089        9.3929695627
  C         9.7509068499       -3.6983854100        3.8494873142
  F         8.8175988905       -4.5678745115        4.3252533259
  F        10.7196565335       -4.4527044681        3.2286251107
  F         9.1410837497       -2.9678200672        2.8539843198
  C        13.8515778821        0.6101862288        6.3531315945
  C        14.3437858597        1.9091235758        6.5639004647
  C        15.3258320734        2.1850165199        7.5252125646
  C        15.8698589553        1.1704660151        8.3093295961
  C        15.4107927481       -0.1345582354        8.0997861362
  C        14.4268258377       -0.4069947809        7.1437395346
  C        16.0229846399       -1.2295675900        8.9220925147
  F        16.0411956337       -0.8757990420       10.2618976979
  F        17.3295825685       -1.4916706463        8.5809035404
  F        15.3721018935       -2.4177010321        8.8047317143
  C        15.8739184078        3.5757306841        7.6214175263
  F        16.4770808414        3.8574727581        8.8089441295
  F        14.9137137365        4.5287272915        7.4081117863
  F        16.8298668402        3.7882882728        6.6592455792
  H        13.9411213622        1.9630423450        3.1507490415
  H        13.8449602579       -2.1854799915        4.2922851568
  H        16.1215870919       -0.9616294312        0.8582502048
  H        11.4239338210        0.9226258018        2.7780216043
  H         8.9913781262        4.2215164256        4.0918503335
  H        11.7169928188        2.3330537806        6.8317758646
  H        11.5590166001       -1.7613969241        3.5511873353
  H         9.0972906133       -3.6983542455        6.5041837831
  H        11.6703168733       -0.4469497828        7.6440591051
  H        13.9596486540        2.7326592162        5.9640897105
  H        16.6327070206        1.3885240107        9.0526819517
  H        14.1011234497       -1.4369462148        7.0105299579
  H        10.7914687561       11.7841667516        4.6798573660
  H        11.5904008699       10.0321400509        3.1233349728
     646
 i =      158, E =         0.0000335323
 Rh         3.6500406440        0.2416822949        4.8227393590
  P         5.3929731720        0.6389119411        6.2909531188
  C         5.2312875048       -0.3119306117        7.8716883902
  C         4.8448659035       -1.7877222375        7.6542109102
  C         4.5347621954       -2.4525301212        9.0058182605
  C         5.7169625466       -2.3384502311        9.9786000983
  C         6.1822064302       -0.8837856065       10.1427630616
  C         6.4581508097       -0.2033241494        8.7906114139
  C         5.6694584568        2.4065869070        6.8120351143
  C         4.6323940369        2.8264016291        7.8770453014
  C         4.6463814561        4.3346617886        8.1734003852
  C         4.5500522530        5.1680335683        6.8926865489
  C         5.6880895251        4.8044719163        5.9363910733
  C         5.6309348134        3.3166472641        5.5648263908
  C         7.0064384569        0.0992076491        5.5227045539
  C         6.9782461379        0.2355857232        3.9908927304
  P         5.3154271844       -0.2376522849        3.2964623830
  C         5.4832548831       -2.0238248943        2.7950238228
  C         4.4014567374       -2.4036786162        1.7636932460
  C         4.3875963130       -3.9075826273        1.4675856654
  C         4.2524962932       -4.7416467396        2.7434964980
  C         5.3948565804       -4.4209578871        3.7117810351
  C         5.4255747800       -2.9219726232        4.0519002695
  C         5.1185956933        0.6986165794        1.7107230127
  C         4.8335275185        2.1973196118        1.9289710996
  C         4.4299233811        2.8453027912        0.5937185562
  C         5.5096580141        2.6489167438       -0.4817036516
  C         5.8884646435        1.1681425499       -0.6464253703
  C         6.2585795316        0.5094953896        0.6957918787
  C         1.8903377078        0.3178939271        3.4714856022
  C         1.9132679894       -0.9285699376        4.1033637357
  C         1.0809653522       -0.7879583918        5.3925778239
  C         1.9520088166        0.1468599039        6.2594242902
  C         1.9282122160        1.3923815315        5.6300765953
  C         1.0423060140        1.2383637661        4.3773968276
  C        -0.0006618926        0.2149694385        4.9052389568
  H         4.3782655567        0.1793976175        8.3688535123
  H         5.6722992138       -2.3219396791        7.1632883847
  H         3.9802961390       -1.8597865164        6.9770313298
  H         4.2642940258       -3.5071611118        8.8546521302
  H         3.6498013907       -1.9668664422        9.4426735901
  H         5.4385341408       -2.7562683087       10.9570480208
  H         6.5526029220       -2.9501902088        9.6122532868
  H         7.0910163530       -0.8382437973       10.7610416066
  H         5.4036513010       -0.3137134099       10.6736949250
  H         6.7457829311        0.8440320940        8.9506179918
  H         7.3140696361       -0.6888844867        8.3042388402
  H         6.6765353777        2.4620979813        7.2565789996
  H         4.8130547382        2.2744311200        8.8091335001
  H         3.6259371493        2.5379133872        7.5428849726
  H         5.5727029863        4.5984198617        8.7036197309
  H         3.8187818901        4.5714385275        8.8575914881
  H         4.5693199285        6.2385822527        7.1396735127
  H         3.5850267866        4.9879606861        6.3960197159
  H         6.6525213682        5.0340173457        6.4097782505
  H         5.6415348522        5.4051607412        5.0186030392
  H         6.4615257792        3.0655937779        4.8887362009
  H         4.7037253628        3.1153932827        5.0034151833
  H         7.8436373497        0.6630610960        5.9588209099
  H         7.1483065147       -0.9521855287        5.8107823671
  H         7.7713103556       -0.3636003801        3.5206451431
  H         7.1484437027        1.2803926451        3.6955543270
  H         6.4738028261       -2.1371075591        2.3250584961
  H         4.5573724699       -1.8500280245        0.8278674257
  H         3.4112209437       -2.1020830886        2.1311568801
  H         5.3183996088       -4.1830292428        0.9510504029
  H         3.5660428492       -4.1258159965        0.7734301364
  H         4.2384605879       -5.8108889410        2.4914083373
  H         3.2856263511       -4.5333284037        3.2257632233
  H         5.2915895707       -4.9938473282        4.6454829535
  H         6.3532630749       -4.7211729243        3.2634568482
  H         6.2837512052       -2.7087912398        4.7052649496
  H         4.5246312155       -2.6603961408        4.6302486164
  H         4.2028613113        0.2552248245        1.2844914857
  H         5.7321685192        2.6953474832        2.3227355170
  H         4.0427436578        2.3303153011        2.6833225447
  H         4.2265446679        3.9152486937        0.7404340912
  H         3.4852316727        2.3952885714        0.2531554696
  H         6.4050295928        3.2270414579       -0.2101711720
  H         5.1598715774        3.0568308631       -1.4413903012
  H         6.7297947957        1.0659680339       -1.3476366820
  H         5.0395879053        0.6223658677       -1.0887282353
  H         7.1740315885        0.9692134754        1.0896044974
  H         6.4830240884       -0.5537963352        0.5421768320
  H         2.1262994549        0.5288148307        2.4321853306
  H         2.1793294299       -1.8848344408        3.6625983777
  H         0.7614736107       -1.7218128884        5.8615261697
  H         2.2434768782       -0.0643367940        7.2843142721
  H         2.2087267442        2.3502318877        6.0584393600
  H         0.6849187886        2.1670388612        3.9251362986
  H        -0.6179018732        0.6102481651        5.7183963875
  H        -0.6342333428       -0.1959421897        4.1121356430
 Rh        14.7206105754       19.6386412404       14.9733362514
  P        12.9639582290       19.2107148513       13.5230615975
  C        13.1378814797       20.1913608758       11.9581694569
  C        13.5125783651       21.6641065630       12.2121440734
  C        13.8471038871       22.3651925937       10.8852060969
  C        12.6854473211       22.2654412858        9.8866283954
  C        12.2446024962       20.8092047665        9.6763921581
  C        11.9373416855       20.0944003603       11.0050824650
  C        12.6766713293       17.4542925847       12.9690226584
  C        13.6934751948       17.0367805850       11.8851702279
  C        13.6173116222       15.5368157023       11.5598794109
  C        13.7769243547       14.6899195004       12.8253373243
  C        12.6805895310       15.0373645675       13.8367447769
  C        12.7173983080       16.5288459519       14.2058283584
  C        11.3451189372       19.7193942495       14.3114195688
  C        11.4074117059       19.6601311277       15.8486809426
  P        13.0781315286       20.1651443614       16.5033699451
  C        12.9035475565       21.9606364100       16.9595514035
  C        13.9826273729       22.4000034563       17.9712998448
  C        13.9874863865       23.9209865253       18.1880696508
  C        14.0974177808       24.6893848557       16.8678636840
  C        12.9503536475       24.3071944902       15.9298282263
  C        12.9591303091       22.7965439315       15.6617657960
  C        13.3277348958       19.2286474750       18.0820095118
  C        13.6074998522       17.7377898275       17.8062149043
  C        14.0258667887       17.0240228790       19.1002223520
  C        12.9632511590       17.1851385844       20.1979202163
  C        12.6197754981       18.6644148253       20.4399374042
  C        12.2245659451       19.3924422760       19.1397925308
  C        16.4577202698       19.6201792576       16.3488046636
  C        16.4725698884       20.8176783463       15.6273348550
  C        17.3211328619       20.5628633846       14.3660035765
  C        16.4390780577       19.5885856467       13.5544816558
  C        16.4200875516       18.3921840512       14.2732988851
  C        17.2933292462       18.6152674768       15.5254572947
  C        18.3708525156       19.5734183889       14.9442238584
  H        14.0059465499       19.7131527917       11.4739906403
  H        12.6710870174       22.1822360867       12.6958440553
  H        14.3621330580       21.7238167483       12.9097142690
  H        14.1029107314       23.4175201538       11.0720605968
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 Rh        12.6558099786        9.8063523039        4.6978856632
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  F        11.2165451233        9.0173521588       20.2226964681
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  C        11.8889191135       12.0127574483       17.3108024813
  C        12.7685690781       11.6834272308       16.2711584593
  C        13.2422666358       10.3737075694       16.0773400468
  C        12.7611361847        9.4011526381       16.9799010543
  B        14.1538641841        9.9817726016       14.7701031132
  C        15.1598490994       11.1869660842       14.3000981681
  C        15.7607960649       12.0582610906       15.2242051498
  C        16.7004210806       13.0217792966       14.8367451969
  C        17.0860666517       13.1508872057       13.4975826841
  C        16.5062160952       12.2862355815       12.5612159340
  C        15.5688727781       11.3260872227       12.9600526316
  C        16.8420743537       12.3972264356       11.0968314586
  F        17.8574431432       13.2699161317       10.8525657565
  F        15.7543811540       12.8159989173       10.3459923051
  F        17.2353764370       11.1906912886       10.5611351349
  C        17.2385316275       13.9424394728       15.8965807679
  F        16.2460543874       14.6728362570       16.4976473291
  F        18.1482471196       14.8384607645       15.4057293365
  F        17.8385788111       13.2541683541       16.9334074106
  C        13.0468904487        9.6454471614       13.5996629875
  C        12.4460630071       10.6746938268       12.8453001080
  C        11.4659950655       10.4123864750       11.8787482200
  C        11.0447237592        9.1067366461       11.6263114010
  C        11.6009654772        8.0760070361       12.3855528042
  C        12.5721619907        8.3415597719       13.3563813690
  C        11.0269143228        6.6992931133       12.2313989787
  F        10.4971313664        6.4947500568       10.9940660257
  F        11.9227692092        5.6913807573       12.4654521593
  F        10.0060073659        6.4973978980       13.1315454510
  C        10.9016388266       11.5267477048       11.0438022950
  F         9.7393115689       11.1775790432       10.4114259439
  F        10.6240703312       12.6598363946       11.7440185449
  F        11.7670693887       11.8877646615       10.0449528954
  C        15.1893581528        8.7402445517       15.0508665597
  C        15.8545989654        8.5662196629       16.2865678918
  C        16.8098036278        7.5593876694       16.4636293044
  C        17.1182901959        6.6714124872       15.4293096880
  C        16.4815350336        6.8321336932       14.2065465443
  C        15.5548996812        7.8629918416       14.0143427767
  C        17.4840207723        7.2670710954       17.7701933559
  F        17.6134391835        8.3290056864       18.6222297629
  F        16.7936251961        6.3146587426       18.4804649049
  F        18.7591111267        6.7892889271       17.5408215167
  C        11.3920384531       13.4254349837       17.4307703706
  F        10.7857832157       13.6684472439       18.6260874092
  F        10.4814620734       13.7338391452       16.4321647286
  F        12.4023209898       14.3404613167       17.3058522840
  F        17.6306204144        4.8721577472       13.4875018809
  F        17.3766784090        6.5267531683       12.0281926922
  F        15.6567882460        5.2690172674       12.6113282010
  C        16.7876412004        5.8814270344       13.0907454967
  H        10.7507361511       11.2954676703       19.0032171616
  H        13.0883523610       12.4721195704       15.5913408419
  H        13.0658469237        8.3636260236       16.8574557238
  H        15.4878352645       11.9919487866       16.2763964875
  H        17.7987874894       13.9111479969       13.1926973278
  H        15.1421884681       10.6722825408       12.2008997778
  H        12.7466607915       11.7081328267       13.0150355502
  H        10.2855056317        8.8980875614       10.8787952908
  H        12.9642474536        7.5107171384       13.9398955600
  H        15.6263881341        9.2293921123       17.1206346485
  H        17.8322889886        5.8702904673       15.5816498009
  H        15.1035443802        7.9756928673       13.0296034589
  F         2.7317507030       18.6332304750       20.0997889330
  C         2.7305372495       18.2906592024       18.7678392271
  F         1.4065843967       18.0787553860       18.4736598196
  F         3.3592510697       17.0875903418       18.6313527950
  C         3.3381908516       19.3553653278       17.9097678873
  C         4.1814236205       19.0327846997       16.8413767665
  C         4.6940763971       20.0195322544       15.9748409256
  C         4.2791882424       21.3392501226       16.2263039593
  C         3.4389593840       21.6636800985       17.2990378759
  C         2.9627769365       20.6781341113       18.1591131986
  C         2.9234717006       23.0643852245       17.4347004435
  F         2.2996366137       23.2922354154       18.6245218813
  F         3.9023269838       24.0238365305       17.3054051291
  F         1.9924038224       23.2936394894       16.4316499523
  B         5.6121673504       19.6358043955       14.6729467704
  C         6.6478396635       18.4083699488       14.9715235968
  C         7.2647604180       18.2751276862       16.2275635422
  C         8.2434046204       17.3074952855       16.4688195559
  C         8.6466904272       16.4200702479       15.4705614166
  C         8.0500270263       16.5415759382       14.2162476709
  C         7.0824812065       17.5234199482       13.9690484840
  C         8.4237343000       15.5963028205       13.1144717274
  F         7.3130250173       15.0304753691       12.5392292447
  F         9.2159297855       14.5688011096       13.5620104660
  F         9.1081250871       16.2276315648       12.1008250808
  C         8.7838667359       17.1547441471       17.8522295693
  F         8.9100967458       18.3672649386       18.4838977782
  F        10.0145223680       16.5639676195       17.8928801731
  F         7.9539319066       16.3793226006       18.6303488126
  C         6.6352435379       20.8473006653       14.2686797550
  C         7.2162951864       21.6940160530       15.2315959999
  C         8.1647945262       22.6647553809       14.8899261772
  C         8.5893283813       22.8207555370       13.5670152620
  C         8.0392020777       21.9740734156       12.6043240341
  C         7.0867762792       21.0097507889       12.9490230033
  C         8.4039457968       22.1121111340       11.1582098188
  F         8.8235048868       20.9053713786       10.6313340714
  F         9.3801299929       23.0319993690       10.9270467250
  F         7.3247511372       22.5145782218       10.4081688654
  C         8.6821970191       23.5846104900       15.9566311796
  F         9.6015472414       24.4687475475       15.4764544801
  F         7.6876950234       24.3576486603       16.5043842197
  F         9.2705496435       22.8895548263       17.0030306598
  C         4.5418295900       19.2816910256       13.4814931289
  C         4.0521862361       17.9791067619       13.2699812160
  C         3.0836534532       17.6952014684       12.2962690717
  C         2.5597382784       18.7112529346       11.4962741040
  C         3.0184676530       20.0180538329       11.7029615751
  C         3.9795713975       20.2948820413       12.6792624588
  C         2.3990532028       21.1147931497       10.8867476673
  F         2.3720205015       20.7826089107        9.5419419400
  F         1.0899557046       21.3346313521       11.2600476682
  F         3.0363778657       22.3171530994       10.9980231231
  C         2.5088364740       16.3087923355       12.1875991768
  F         1.9323250991       16.0519552245       10.9843878720
  F         3.4285458631       15.3141058945       12.3964397543
  F         1.5223940025       16.1209909801       13.1306035258
  H         4.4365989193       17.9888068859       16.6724955415
  H         4.6116813084       22.1385371107       15.5654768512
  H         2.2983334707       20.9284572476       18.9819351082
  H         6.9788764569       18.9425139414       17.0390017850
  H         9.3868509459       15.6520414067       15.6709023911
  H         6.6561359186       17.5906139874       12.9690738478
  H         6.9191802830       21.6048258687       16.2759427125
  H         9.3090660641       23.5855684864       13.2938955294
  H         6.6847800443       20.3725942165       12.1627421959
  H         4.4295533509       17.1594104221       13.8804492489
  H         1.8064529541       18.4932548079       10.7432494077
  H         4.2983847688       21.3264111783       12.8168834481
  F        15.6186685693        1.2751023664       -0.2930938399
  C        15.6625491064        1.6684343779        1.0284170387
  F        16.9917275713        1.8963302015        1.3185670474
  F        15.0495391670        2.8843256403        1.1015959255
  C        15.0749209120        0.6116195756        1.9254382489
  C        14.2228902997        0.9230743086        2.9915552500
  C        13.7266017010       -0.0723523127        3.8621983558
  C        14.1659027124       -1.3849426577        3.6268336863
  C        15.0053907559       -1.7038120181        2.5553244639
  C        15.4651832048       -0.7127137574        1.6875540984
  C        15.4679203721       -3.1195867257        2.3835421393
  F        16.0486900878       -3.3178065442        1.1712709541
  F        14.4477115765       -4.0413997105        2.4964105113
  F        16.4090934376       -3.4512342645        3.3543536748
  B        12.7853937550        0.2713921791        5.1565368872
  C        11.7368517085        1.4846620889        4.8442008546
  C        11.1271620792        1.5977798142        3.5797196995
  C        10.1464110375        2.5573569783        3.3187207172
  C         9.7316514374        3.4567709876        4.3053639211
  C        10.3176901016        3.3536955114        5.5644068027
  C        11.2917047877        2.3808101489        5.8302329830
  C         9.9538351393        4.3110988750        6.6594279804
  F        11.0922315167        4.8783151011        7.1886758986
  F         9.1361033349        5.3321110406        6.2381044442
  F         9.3074056857        3.6817199876        7.6990538217
  C         9.6231066930        2.7203601028        1.9277715961
  F         9.4967569175        1.5339323413        1.2493908678
  F         8.4024513737        3.3409422757        1.9034295073
  F        10.4693660940        3.4762200817        1.1632214721
  C        11.7813350865       -0.9607769134        5.5495325886
  C        11.2388626616       -1.8348136540        4.5898369493
  C        10.2897646591       -2.8062834361        4.9263384412
  C         9.8259277045       -2.9395752140        6.2380630947
  C        10.3410358206       -2.0708394065        7.1987774937
  C        11.2968653030       -1.1054126099        6.8609596515
  C         9.9459322578       -2.1877925593        8.6396413651
  F         9.5858702775       -0.9741067218        9.1687521848
  F         8.9076000764       -3.0503275872        8.8701984452
  F        11.0139530343       -2.6144451307        9.3929592434
  C         9.7508964461       -3.6983990886        3.8494721333
  F         8.8176209126       -4.5678552762        4.3252432942
  F        10.7196353197       -4.4526861077        3.2286427268
  F         9.1410957279       -2.9678316112        2.8539957283
  C        13.8516641385        0.6101908692        6.3531961955
  C        14.3438397944        1.9088823770        6.5639937111
  C        15.3257865427        2.1850717444        7.5251323687
  C        15.8698536550        1.1704756494        8.3092896781
  C        15.4108447443       -0.1346644914        8.0998442972
  C        14.4267575977       -0.4067436877        7.1436178131
  C        16.0229645265       -1.2295128536        8.9220509464
  F        16.0411977526       -0.8758041542       10.2619185627
  F        17.3296002863       -1.4916826051        8.5809037006
  F        15.3720939980       -2.4177304177        8.8047360326
  C        15.8739024654        3.5757295445        7.6214066231
  F        16.4770916592        3.8574827972        8.8089550068
  F        14.9137417708        4.5286915142        7.4081195346
  F        16.8298702070        3.7882883966        6.6592433117
  H        13.9410799871        1.9630167440        3.1507099971
  H        13.8448874650       -2.1854742464        4.2922105513
  H        16.1216800394       -0.9616264158        0.8582908698
  H        11.4239275849        0.9227168547        2.7780971013
  H         8.9913414261        4.2215512824        4.0918448733
  H        11.7169501070        2.3330593222        6.8316357264
  H        11.5589241097       -1.7613292686        3.5511675178
  H         9.0973505323       -3.6983892530        6.5041871906
  H        11.6703040430       -0.4469025026        7.6440742740
  H        13.9596126826        2.7327644630        5.9639997763
  H        16.6327438412        1.3885123323        9.0526580349
  H        14.1010772062       -1.4370550458        7.0105237842
  H        10.7914116152       11.7842852445        4.6794142215
  H        11.5903124029       10.0318968807        3.1232836347
     646
 i =      159, E =         0.0032110058
 Rh         3.6502093112        0.2417204789        4.8227849849
  P         5.3931223658        0.6389331334        6.2910492759
  C         5.2313458745       -0.3121133349        7.8716701735
  C         4.8451127588       -1.7879121747        7.6539121919
  C         4.5347585913       -2.4529476233        9.0053347504
  C         5.7168654870       -2.3390634420        9.9782496227
  C         6.1820708474       -0.8844173458       10.1427780472
  C         6.4580415710       -0.2035534187        8.7908188725
  C         5.6694722359        2.4066146539        6.8121541043
  C         4.6323358754        2.8265469371        7.8770299187
  C         4.6470214458        4.3347733492        8.1735111451
  C         4.5502904091        5.1681640733        6.8928419211
  C         5.6878648894        4.8044952240        5.9360235192
  C         5.6309920546        3.3165503422        5.5648490298
  C         7.0066092064        0.0994081277        5.5227370622
  C         6.9783464285        0.2357881024        3.9909188186
  P         5.3155757875       -0.2376930773        3.2965280355
  C         5.4836426665       -2.0238311655        2.7951627412
  C         4.4020244818       -2.4037861182        1.7637009866
  C         4.3877875511       -3.9077422186        1.4679313747
  C         4.2527325317       -4.7415411921        2.7440007151
  C         5.3953283944       -4.4208900920        3.7119777847
  C         5.4260220737       -2.9219285397        4.0520440931
  C         5.1183843981        0.6984845306        1.7107627582
  C         4.8331570736        2.1971332576        1.9291256535
  C         4.4299188364        2.8454124620        0.5939062093
  C         5.5099854723        2.6492241589       -0.4812287574
  C         5.8882800474        1.1683565576       -0.6463696247
  C         6.2582066002        0.5092781243        0.6956857664
  C         1.8905265977        0.3178989857        3.4714734985
  C         1.9133653541       -0.9284501540        4.1035652429
  C         1.0810765207       -0.7875149768        5.3927967337
  C         1.9522035332        0.1473860433        6.2594688870
  C         1.9285175376        1.3928219912        5.6298300132
  C         1.0425672980        1.2386421748        4.3772087018
  C        -0.0004826635        0.2154401862        4.9052710506
  H         4.3781823395        0.1790551864        8.3687799845
  H         5.6727062332       -2.3219864581        7.1631166427
  H         3.9806848072       -1.8599689304        6.9764803563
  H         4.2642677778       -3.5075341156        8.8539535436
  H         3.6497464057       -1.9673167885        9.4421633589
  H         5.4383647070       -2.7570997528       10.9565913962
  H         6.5525236641       -2.9507235131        9.6118351499
  H         7.0908473753       -0.8390201985       10.7610813424
  H         5.4034713808       -0.3145243769       10.6738537965
  H         6.7454471213        0.8438135609        8.9511505130
  H         7.3141213799       -0.6888129129        8.3044372006
  H         6.6764975796        2.4621819668        7.2568112442
  H         4.8125468665        2.2743457549        8.8090625229
  H         3.6258304772        2.5385940864        7.5425866643
  H         5.5736828662        4.5981550043        8.7032605888
  H         3.8198201488        4.5718424212        8.8581323283
  H         4.5698287952        6.2387083036        7.1397999331
  H         3.5850097142        4.9882346621        6.3966150329
  H         6.6525229939        5.0344584442        6.4088005331
  H         5.6406274064        5.4048539253        5.0180879565
  H         6.4616473545        3.0655312329        4.8888917079
  H         4.7038343754        3.1150333929        5.0033665995
  H         7.8437473586        0.6633429070        5.9588207679
  H         7.1486026286       -0.9519708865        5.8108132949
  H         7.7714794092       -0.3633696161        3.5206749045
  H         7.1484767960        1.2805679261        3.6955583677
  H         6.4743115467       -2.1370103488        2.3252891374
  H         4.5582858068       -1.8504118710        0.8277639522
  H         3.4117437363       -2.1017978261        2.1308706607
  H         5.3184733379       -4.1835014302        0.9513041370
  H         3.5660936798       -4.1259379386        0.7739022764
  H         4.2384217715       -5.8108612960        2.4920886502
  H         3.2860036869       -4.5329593133        3.2264258196
  H         5.2923619746       -4.9937973444        4.6457173922
  H         6.3536370226       -4.7210516657        3.2633971912
  H         6.2841758023       -2.7086503121        4.7054297208
  H         4.5250460621       -2.6603681149        4.6303882029
  H         4.2026048554        0.2549743180        1.2847172204
  H         5.7316275196        2.6951701667        2.3232730567
  H         4.0421431987        2.3299076130        2.6832569951
  H         4.2265335724        3.9153174912        0.7408278997
  H         3.4853470530        2.3955066572        0.2529346349
  H         6.4054553023        3.2268752084       -0.2090624833
  H         5.1607271486        3.0576745711       -1.4408476612
  H         6.7295647523        1.0660526542       -1.3476142495
  H         5.0391922504        0.6230231893       -1.0887936853
  H         7.1738785073        0.9685626722        1.0895256960
  H         6.4822402671       -0.5540520565        0.5418134818
  H         2.1265129830        0.5286122260        2.4321354290
  H         2.1793701903       -1.8848131883        3.6629729806
  H         0.7615063975       -1.7212569128        5.8619267097
  H         2.2436337672       -0.0636047295        7.2843933482
  H         2.2091421729        2.3507218087        6.0579811542
  H         0.6852849254        2.1672267833        3.9247732440
  H        -0.6176240347        0.6109303158        5.7183911428
  H        -0.6341404493       -0.1955753737        4.1122762230
 Rh        14.7207200511       19.6387287759       14.9732592520
  P        12.9641835283       19.2108119439       13.5229323078
  C        13.1380898723       20.1914241524       11.9580278059
  C        13.5127744150       21.6641576687       12.2120917419
  C        13.8471051725       22.3654015030       10.8851913719
  C        12.6852870041       22.2657125633        9.8867771590
  C        12.2443654635       20.8095074441        9.6764563526
  C        11.9374097262       20.0945225628       11.0051139168
  C        12.6770464794       17.4543070097       12.9691662142
  C        13.6939468282       17.0367586265       11.8854201986
  C        13.6176307973       15.5368500398       11.5599389673
  C        13.7767433868       14.6896791553       12.8252751366
  C        12.6805372320       15.0374364734       13.8367035070
  C        12.7179459813       16.5288500427       14.2059524651
  C        11.3454069538       19.7198678217       14.3110726146
  C        11.4074523845       19.6598334190       15.8482967398
  P        13.0780085200       20.1650527339       16.5031988191
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  F         5.7121590484        5.6251838405        2.0530554137
  F         0.7126504568       15.0295150469        6.2355184628
  F         0.8948152996       13.3791398165        7.6960468209
  F         2.6778962435       14.5684500337        7.1196442170
  C         1.5258252806       13.9970726606        6.6377285080
  H         7.6848679699        8.6043337787        0.8624546004
  H         5.1441005427        7.3474253099        4.0950336764
  H         5.4807792750       11.5280581242        3.1316250393
  H         2.8291249682        7.9298658454        3.5990069322
  H         0.5921988073        5.9712204004        6.7131614798
  H         3.2684470282        9.2085289082        7.6758461964
  H         5.5669228120        8.1757488635        6.7422971917
  H         8.0505971579       10.8353934654        9.0328462219
  H         5.4901104664       12.3838551342        5.9321341640
  H         2.9125940893       10.6188761840        2.7185894366
  H         0.5380828291       13.9389783776        4.0777645249
  H         3.2239528912       11.9532656273        6.7929525419
  F         9.9828014319        8.3886784091       18.4854950394
  C        11.2757734060        8.6558608009       18.8871712615
  F        11.9352124050        7.4692127379       18.8445261794
  F        11.2165484592        9.0173581343       20.2226843432
  C        11.8821445012        9.7244347523       18.0215147867
  C        11.4397938541       11.0395736497       18.2032425035
  C        11.8889290564       12.0127920401       17.3108137546
  C        12.7685596358       11.6834044743       16.2711515264
  C        13.2422122546       10.3736856661       16.0773483650
  C        12.7610733740        9.4011529886       16.9798280678
  B        14.1538216702        9.9817564731       14.7701005355
  C        15.1598465921       11.1869605076       14.3001007903
  C        15.7607320376       12.0582591055       15.2241856495
  C        16.7004076441       13.0217784487       14.8367293443
  C        17.0860679122       13.1508778831       13.4976045928
  C        16.5061982785       12.2861872959       12.5612262347
  C        15.5688844811       11.3260264041       12.9600508443
  C        16.8421154822       12.3972399374       11.0967757862
  F        17.8573821391       13.2698585783       10.8525924557
  F        15.7543884961       12.8159890428       10.3460074814
  F        17.2353621482       11.1907076014       10.5611545299
  C        17.2385073715       13.9424129052       15.8965725859
  F        16.2460461205       14.6728451754       16.4976585313
  F        18.1482640924       14.8384733771       15.4057224097
  F        17.8385845722       13.2541662377       16.9334117113
  C        13.0468544264        9.6454631352       13.5997033328
  C        12.4460385519       10.6746888377       12.8452933011
  C        11.4659740838       10.4124333398       11.8786921323
  C        11.0447530092        9.1067751819       11.6262329141
  C        11.6009256248        8.0759473219       12.3855689077
  C        12.5720696917        8.3415684441       13.3564911460
  C        11.0269034051        6.6993116466       12.2313863286
  F        10.4971381859        6.4947495130       10.9940824260
  F        11.9227733160        5.6913886294       12.4654552525
  F        10.0060052460        6.4973940170       13.1315534469
  C        10.9016998273       11.5266110061       11.0438781132
  F         9.7392627398       11.1775860591       10.4113752580
  F        10.6240399136       12.6599148455       11.7440575387
  F        11.7671118760       11.8878037242       10.0448763497
  C        15.1893179534        8.7401596142       15.0508560231
  C        15.8545630216        8.5661733110       16.2865760863
  C        16.8097457042        7.5594400813       16.4635410283
  C        17.1183187812        6.6714795560       15.4292189037
  C        16.4815583227        6.8321058702       14.2066030421
  C        15.5547770660        7.8629547551       14.0144155306
  C        17.4840808531        7.2670919628       17.7703860202
  F        17.6134067700        8.3288961087       18.6220998792
  F        16.7936598222        6.3147206477       18.4803880403
  F        18.7590616340        6.7893027540       17.5408110357
  C        11.3920603194       13.4253871014       17.4307642869
  F        10.7857647179       13.6684610082       18.6261139138
  F        10.4814570979       13.7338429601       16.4321621554
  F        12.4023298117       14.3404725537       17.3058544844
  F        17.6306462197        4.8721314243       13.4875081651
  F        17.3767010753        6.5267650921       12.0281573089
  F        15.6567311717        5.2689689198       12.6112863721
  C        16.7876425854        5.8814671954       13.0907806878
  H        10.7508720393       11.2954802483       19.0033218055
  H        13.0883314957       12.4720898844       15.5913547112
  H        13.0657006949        8.3635472786       16.8573469842
  H        15.4877310394       11.9920151376       16.2763702402
  H        17.7987846036       13.9111136325       13.1926962168
  H        15.1422561998       10.6722005661       12.2009206736
  H        12.7466541121       11.7081151270       13.0150263023
  H        10.2856400597        8.8980641221       10.8786525276
  H        12.9640303084        7.5107541239       13.9400681155
  H        15.6263217914        9.2293535623       17.1206469570
  H        17.8324582359        5.8704096914       15.5815758313
  H        15.1033478525        7.9755392401       13.0296470855
  F         2.7317523585       18.6332226465       20.0998014657
  C         2.7304979216       18.2906853389       18.7678290852
  F         1.4065446062       18.0787415423       18.4736730645
  F         3.3592542806       17.0875855929       18.6313521159
  C         3.3381699549       19.3553082211       17.9097019284
  C         4.1813340111       19.0327883430       16.8414552228
  C         4.6941433381       20.0195148624       15.9748017573
  C         4.2792862952       21.3392965924       16.2263362599
  C         3.4388734732       21.6638098382       17.2990970917
  C         2.9626846153       20.6781168915       18.1590468175
  C         2.9236137033       23.0641457263       17.4345488348
  F         2.2994640266       23.2923564222       18.6247713780
  F         3.9023729488       24.0239121343       17.3054086210
  F         1.9923313743       23.2936933278       16.4316056791
  B         5.6121627646       19.6357638372       14.6729980624
  C         6.6477682280       18.4082675861       14.9715692985
  C         7.2646885504       18.2750033548       16.2275965927
  C         8.2434118539       17.3074366451       16.4687606070
  C         8.6467428292       16.4201403757       15.4705494294
  C         8.0500621991       16.5415322131       14.2162945793
  C         7.0823805206       17.5233330200       13.9690613563
  C         8.4237300723       15.5962788865       13.1144329300
  F         7.3130659362       15.0304988949       12.5392588474
  F         9.2159217836       14.5688146175       13.5620073616
  F         9.1081070515       16.2276190106       12.1008533116
  C         8.7838985505       17.1547397276       17.8522932930
  F         8.9100872915       18.3672373190       18.4838755848
  F        10.0145160967       16.5639734461       17.8928767247
  F         7.9539344967       16.3793257912       18.6303459440
  C         6.6353114909       20.8471947856       14.2686808644
  C         7.2163828607       21.6938978625       15.2316536050
  C         8.1648151968       22.6647160052       14.8899225287
  C         8.5892639509       22.8207538068       13.5669688049
  C         8.0391891543       21.9740515065       12.6044044328
  C         7.0868378489       21.0096874939       12.9490313417
  C         8.4039716296       22.1121168099       11.1581543268
  F         8.8234998147       20.9053716649       10.6313415984
  F         9.3800860785       23.0319504453       10.9270748363
  F         7.3247724433       22.5145600129       10.4081890320
  C         8.6822047352       23.5846147802       15.9566545110
  F         9.6015485661       24.4687380473       15.4764497729
  F         7.6877080258       24.3576373816       16.5043693454
  F         9.2705500720       22.8895549069       17.0030379676
  C         4.5418157341       19.2817150163       13.4814889362
  C         4.0522104258       17.9790662813       13.2700413829
  C         3.0836274569       17.6951859964       12.2962118572
  C         2.5597787104       18.7112868236       11.4962324761
  C         3.0185311209       20.0179571213       11.7030170519
  C         3.9795657442       20.2948306243       12.6792640526
  C         2.3990332416       21.1149283511       10.8867500995
  F         2.3720409516       20.7825998676        9.5419306879
  F         1.0899770549       21.3346175225       11.2601030269
  F         3.0363228795       22.3170779388       10.9980252383
  C         2.5088360154       16.3087553674       12.1875920658
  F         1.9323373387       16.0519648979       10.9843903544
  F         3.4285340304       15.3140974793       12.3964306466
  F         1.5223962189       16.1209993831       13.1305982079
  H         4.4365606237       17.9887831964       16.6724792913
  H         4.6118609663       22.1385590427       15.5656252166
  H         2.2981545748       20.9284359260       18.9818102931
  H         6.9787246318       18.9423707075       17.0391091549
  H         9.3870365334       15.6521675807       15.6708382476
  H         6.6560062660       17.5904553812       12.9691578175
  H         6.9193585863       21.6046354824       16.2759947450
  H         9.3089188635       23.5856622605       13.2938723702
  H         6.6848470873       20.3724803185       12.1627629618
  H         4.4294989125       17.1594038541       13.8804697917
  H         1.8064915201       18.4932459165       10.7432220179
  H         4.2983941439       21.3264293692       12.8169248620
  F        15.6186702565        1.2751012671       -0.2931251178
  C        15.6625304812        1.6683714193        1.0284477569
  F        16.9917771340        1.8963494954        1.3185731591
  F        15.0495120905        2.8843784176        1.1015997361
  C        15.0749505907        0.6116265002        1.9254211233
  C        14.2228137662        0.9230603104        2.9914381706
  C        13.7264727961       -0.0723629843        3.8621232725
  C        14.1657527508       -1.3849952166        3.6267086622
  C        15.0053866386       -1.7038038713        2.5553051992
  C        15.4653134505       -0.7126855602        1.6876426913
  C        15.4679198254       -3.1195903056        2.3835298614
  F        16.0486881775       -3.3178162823        1.1712795078
  F        14.4477055707       -4.0414075282        2.4964035891
  F        16.4090914703       -3.4512406377        3.3543449799
  B        12.7853573366        0.2714571910        5.1564763506
  C        11.7368857811        1.4847190053        4.8441671097
  C        11.1271753495        1.5978786854        3.5796711995
  C        10.1464000462        2.5574020084        3.3186586305
  C         9.7316124480        3.4568305233        4.3053682312
  C        10.3176844039        3.3537443349        5.5644241978
  C        11.2916796038        2.3808940537        5.8301778298
  C         9.9538446441        4.3110575876        6.6593484219
  F        11.0922507062        4.8783449573        7.1886996138
  F         9.1360794679        5.3321485021        6.2381026832
  F         9.3073754121        3.6817073183        7.6990954798
  C         9.6231001143        2.7203870533        1.9277898648
  F         9.4967533104        1.5339319374        1.2493859863
  F         8.4024423654        3.3409440033        1.9034196622
  F        10.4693666696        3.4762305938        1.1632048838
  C        11.7812199162       -0.9606671582        5.5494891776
  C        11.2386495297       -1.8346763320        4.5897896978
  C        10.2897366932       -2.8062273066        4.9263351555
  C         9.8259879138       -2.9396536693        6.2380759682
  C        10.3410488605       -2.0708232189        7.1987717762
  C        11.2967738141       -1.1053505732        6.8609386272
  C         9.9459347025       -2.1877883331        8.6396506695
  F         9.5858800093       -0.9741246548        9.1687364393
  F         8.9076149025       -3.0503184939        8.8701919507
  F        11.0139469778       -2.6144415564        9.3929567071
  C         9.7508688005       -3.6984131511        3.8494579002
  F         8.8176318338       -4.5678474579        4.3252346260
  F        10.7196236693       -4.4526726265        3.2286525117
  F         9.1411011759       -2.9678363995        2.8539885105
  C        13.8516629139        0.6101627188        6.3531310029
  C        14.3438298313        1.9089097726        6.5638961757
  C        15.3258051506        2.1850629890        7.5250816196
  C        15.8698673587        1.1704150762        8.3091861471
  C        15.4108646618       -0.1346449802        8.0997974368
  C        14.4267027071       -0.4067546005        7.1435489150
  C        16.0229509816       -1.2295275842        8.9220340120
  F        16.0411997283       -0.8758106871       10.2619054793
  F        17.3296033942       -1.4916863911        8.5809036835
  F        15.3720989398       -2.4177330427        8.8047372883
  C        15.8738765239        3.5757637950        7.6213701308
  F        16.4770916315        3.8574709422        8.8089488077
  F        14.9137724191        4.5286487509        7.4081213842
  F        16.8298866417        3.7882849021        6.6592360499
  H        13.9409056637        1.9630005748        3.1505510076
  H        13.8445768925       -2.1855307610        4.2919719204
  H        16.1219925708       -0.9615827503        0.8585140380
  H        11.4239711866        0.9228405629        2.7780227768
  H         8.9913056110        4.2215692411        4.0918398713
  H        11.7169645892        2.3331062868        6.8316148185
  H        11.5585919945       -1.7610334079        3.5510469741
  H         9.0975713862       -3.6985348222        6.5042280752
  H        11.6702117757       -0.4467925387        7.6440292404
  H        13.9596421496        2.7327518016        5.9639265877
  H        16.6328487342        1.3884806716        9.0525267905
  H        14.1009960748       -1.4370355129        7.0105146435
  H        10.7910665717       11.7846498262        4.6776248828
  H        11.5899829575       10.0309379971        3.1230775299
     646
 i =      160, E =         0.0002200963
 Rh         3.6503169111        0.2417485126        4.8228224311
  P         5.3931924312        0.6389450092        6.2911003448
  C         5.2313669896       -0.3122047357        7.8716866187
  C         4.8451935114       -1.7880371584        7.6536672386
  C         4.5347287384       -2.4531497501        9.0050822951
  C         5.7168236340       -2.3394443772        9.9780474318
  C         6.1819166206       -0.8847797483       10.1427700277
  C         6.4579965292       -0.2037003170        8.7909363235
  C         5.6695059660        2.4066228332        6.8122381932
  C         4.6323413582        2.8266626005        7.8770113522
  C         4.6472875873        4.3348250272        8.1735897758
  C         4.5504322741        5.1682312685        6.8929147026
  C         5.6878169819        4.8044959987        5.9358963749
  C         5.6308626720        3.3165063670        5.5648625379
  C         7.0066901287        0.0995163536        5.5227529181
  C         6.9784536168        0.2358049534        3.9909187613
  P         5.3156367277       -0.2376919986        3.2965748940
  C         5.4840568562       -2.0238558680        2.7951570111
  C         4.4021706358       -2.4038129307        1.7637950524
  C         4.3880187039       -3.9078637363        1.4680667069
  C         4.2527978475       -4.7415386590        2.7443119146
  C         5.3956921917       -4.4208835559        3.7120844678
  C         5.4261847117       -2.9218671061        4.0522053567
  C         5.1182365088        0.6983779382        1.7107846164
  C         4.8329831058        2.1970325983        1.9291856819
  C         4.4299666746        2.8454764363        0.5940169709
  C         5.5101609194        2.6493404885       -0.4808782506
  C         5.8881821334        1.1685165061       -0.6463241800
  C         6.2580014200        0.5092071779        0.6956280661
  C         1.8906431305        0.3179081538        3.4714495241
  C         1.9134413275       -0.9284158112        4.1036585723
  C         1.0810589212       -0.7874422528        5.3930074367
  C         1.9523514536        0.1477581775        6.2595216296
  C         1.9287096591        1.3930388581        5.6297134965
  C         1.0427020992        1.2388822234        4.3770520977
  C        -0.0003825956        0.2156941835        4.9052506316
  H         4.3781481815        0.1788446929        8.3687252264
  H         5.6729515946       -2.3220136660        7.1630132884
  H         3.9809631845       -1.8600689746        6.9761937790
  H         4.2642535743       -3.5077713648        8.8535339783
  H         3.6497427139       -1.9676015728        9.4418450738
  H         5.4382653668       -2.7575890533       10.9563165367
  H         6.5524727725       -2.9510363193        9.6115892004
  H         7.0907826533       -0.8394786133       10.7611279916
  H         5.4033843309       -0.3150165848       10.6739385250
  H         6.7452500115        0.8436919134        8.9514673355
  H         7.3141449962       -0.6887647760        8.3045577153
  H         6.6764668663        2.4622304098        7.2569485551
  H         4.8122525149        2.2742895871        8.8090282243
  H         3.6257469028        2.5389914154        7.5424099923
  H         5.5743115980        4.5980109259        8.7030720395
  H         3.8204778066        4.5720721609        8.8584214629
  H         4.5701311029        6.2387869427        7.1398764950
  H         3.5849970371        4.9883930084        6.3969759632
  H         6.6524700569        5.0347128525        6.4081960776
  H         5.6400851229        5.4046978580        5.0177389252
  H         6.4617753503        3.0654789253        4.8889398705
  H         4.7039565006        3.1148276362        5.0033697039
  H         7.8438299521        0.6635224877        5.9588277745
  H         7.1487793612       -0.9518374431        5.8108268818
  H         7.7715388540       -0.3631967578        3.5207144423
  H         7.1484976023        1.2807267114        3.6955465951
  H         6.4745122792       -2.1369358611        2.3254742755
  H         4.5588348652       -1.8506243750        0.8276755661
  H         3.4121491460       -2.1016604139        2.1306622093
  H         5.3184505661       -4.1837675849        0.9514906932
  H         3.5661139587       -4.1260094143        0.7741833173
  H         4.2384043436       -5.8107987006        2.4925007854
  H         3.2862521871       -4.5327463956        3.2268089587
  H         5.2928139475       -4.9937580519        4.6458488846
  H         6.3538176978       -4.7209723622        3.2633793519
  H         6.2844378085       -2.7085673617        4.7055218194
  H         4.5253489058       -2.6603693326        4.6304427540
  H         4.2024639036        0.2548328595        1.2848567869
  H         5.7312996694        2.6950644756        2.3235888033
  H         4.0417644161        2.3296694101        2.6832441023
  H         4.2265176267        3.9153738097        0.7410674646
  H         3.4853806919        2.3956258047        0.2527958814
  H         6.4057253890        3.2267954161       -0.2084033781
  H         5.1612134387        3.0581963223       -1.4405735680
  H         6.7294319027        1.0661015855       -1.3476053675
  H         5.0389423613        0.6234024561       -1.0888416141
  H         7.1737752092        0.9681732119        1.0894716954
  H         6.4817826046       -0.5542298609        0.5415969861
  H         2.1266341489        0.5284935978        2.4321142116
  H         2.1793822243       -1.8847736019        3.6632110732
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 Rh        14.7207587816       19.6387665787       14.9732258753
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  C        11.4074372551       19.6597708942       15.8480753326
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  H        11.7990864177       18.7495168708       21.1677006522
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  H        16.1151659898       17.4134075578       13.9131257372
  H        17.6180313795       17.7137565672       16.0503965594
  H        18.9931140396       19.1059200876       14.1727058358
  H        19.0008831692       20.0268087089       15.7178216109
 Rh         5.9509125549       10.0593914875       14.9880565248
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  C         2.5768991762       10.2034099180       14.3683088772
  C         2.6446515909       10.1075186531       15.8999497700
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 Rh        12.6555565878        9.8063773130        4.6979039774
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  C        14.4468351927        5.2328313503        3.6009996746
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  C        11.1288660196        8.3829097303        5.2727760598
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  H        11.6082667906        7.4267143378        5.4727384463
  F         8.5023369619       11.5983358583        1.4655885595
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  F         7.3491435420       10.8246072255       -0.2359788796
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  C         6.9954440364        8.8483218622        1.6654531947
  C         6.4461536420        7.8481316878        2.4608420738
  C         5.5470619531        8.1620052679        3.4941164005
  C         5.1592808280        9.4852979316        3.7744113735
  C         5.7348365637       10.4831102201        2.9576362512
  B         4.2406165680        9.8996482722        5.0771377746
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  C         2.5875838889        7.8533065877        4.6587580207
  C         1.6592512931        6.8798238830        5.0589693787
  C         1.2947107752        6.7380840731        6.3996212464
  C         1.8883211467        7.6068751115        7.3249183423
  C         2.8242149234        8.5662458692        6.9167590477
  C         1.5835540042        7.5070277526        8.7957144635
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  F         2.6869703177        7.1596835047        9.5337513324
  F         1.1749465163        8.7178910088        9.3117557332
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  F         0.1943871547        5.0748439664        4.3301461825
  F         0.6519700591        6.7255720171        2.9283397344
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  C         5.8968093969        9.1913441388        6.9516486165
  C         6.8566421711        9.3862485219        7.9454195068
  C         7.3165871912       10.6704640500        8.2511434939
  C         6.8188903033       11.7410297985        7.4916350914
  C         5.8571979321       11.5263071773        6.4935925967
  C         7.3345772045       13.1429554339        7.6994500788
  F         7.8476947093       13.3443670658        8.9473207891
  F         6.3558829958       14.0810836754        7.4845065465
  F         8.3397846139       13.4811876985        6.8170469333
  C         7.2736408024        8.1351351849        8.6616679493
  F         8.4344460399        8.2299209857        9.3839164749
  F         7.4253935419        7.1002526238        7.7769085349
  F         6.2867863878        7.7316649385        9.5347311050
  C         3.2329581475       11.1416858680        4.7871702827
  C         2.6312499366       11.2898001245        3.5285345220
  C         1.6672680150       12.2668651305        3.2885413783
  C         1.2687419332       13.1634431075        4.2812709591
  C         1.8565486210       13.0320799355        5.5381341056
  C         2.8055153738       12.0318111914        5.7900422144
  C         1.1057829655       12.3797618436        1.9156217112
  F         1.0153635457       11.1552020379        1.3117907040
  F         1.8933558299       13.1555860236        1.0974152311
  F        -0.1577145811       12.9027206967        1.9035552313
  C         6.8216038084        6.4133853394        2.2180200717
  F         7.6151710211        6.2391301614        1.1140213296
  F         7.4983974116        5.8849236774        3.2978188537
  F         5.7123844420        5.6253875338        2.0531167173
  F         0.7126027847       15.0295788059        6.2355399536
  F         0.8948000432       13.3791115106        7.6961017177
  F         2.6779399694       14.5684534381        7.1196758114
  C         1.5258028257       13.9970467785        6.6375829684
  H         7.6845903263        8.6043243033        0.8623377399
  H         5.1442749205        7.3473670370        4.0952608368
  H         5.4808716473       11.5282634115        3.1317188801
  H         2.8292491917        7.9297722748        3.5989435879
  H         0.5923706901        5.9713521383        6.7131004874
  H         3.2682920489        9.2087478889        7.6758913846
  H         5.5667147405        8.1757031526        6.7424870461
  H         8.0506514359       10.8353979319        9.0327514497
  H         5.4901958623       12.3838718050        5.9320986679
  H         2.9126646014       10.6189728060        2.7186792653
  H         0.5381473812       13.9386762375        4.0778661880
  H         3.2240604490       11.9533649649        6.7927783766
  F         9.9827336054        8.3886418765       18.4854864533
  C        11.2757842461        8.6559952392       18.8871331504
  F        11.9352688181        7.4690717271       18.8445412776
  F        11.2165362693        9.0173490804       20.2227263441
  C        11.8821680271        9.7244206109       18.0214865597
  C        11.4398340613       11.0394617613       18.2032972417
  C        11.8888826145       12.0128866340       17.3108651166
  C        12.7686540787       11.6832371870       16.2710725237
  C        13.2421121499       10.3736935804       16.0774252935
  C        12.7610001364        9.4013028031       16.9797990892
  B        14.1539279608        9.9817229018       14.7701260817
  C        15.1598005699       11.1869029546       14.3000696426
  C        15.7606960438       12.0582684897       15.2242151264
  C        16.7004026054       13.0218084588       14.8368271448
  C        17.0860475001       13.1508225884       13.4974988229
  C        16.5062436319       12.2862129060       12.5611578274
  C        15.5689238961       11.3260427983       12.9601186096
  C        16.8419187551       12.3971294066       11.0970161881
  F        17.8576434477       13.2700748359       10.8524817303
  F        15.7543544563       12.8160222726       10.3459401837
  F        17.2354092107       11.1906047204       10.5610470899
  C        17.2385235151       13.9424401147       15.8965555801
  F        16.2460622233       14.6728260592       16.4976387180
  F        18.1482100477       14.8384286542       15.4057418092
  F        17.8385688461       13.2541714620       16.9333975910
  C        13.0464718770        9.6453425624       13.5994056059
  C        12.4462411752       10.6742132747       12.8455716852
  C        11.4659879672       10.4125326196       11.8786829059
  C        11.0447034765        9.1065989731       11.6261516399
  C        11.6008401610        8.0758689727       12.3855281044
  C        12.5721262800        8.3422257168       13.3565354460
  C        11.0269123556        6.6993632399       12.2314074899
  F        10.4971084640        6.4947381002       10.9940357185
  F        11.9227773210        5.6913702894       12.4654565056
  F        10.0059925726        6.4973893345       13.1315569252
  C        10.9015582000       11.5269273337       11.0436515061
  F         9.7394206607       11.1775903642       10.4115196439
  F        10.6241408801       12.6596531837       11.7439606975
  F        11.7669795746       11.8876914337       10.0451443796
  C        15.1889425623        8.7405457150       15.0509506252
  C        15.8547956834        8.5660683329       16.2870027576
  C        16.8097525028        7.5593198577       16.4632979403
  C        17.1182906880        6.6717759200       15.4295767940
  C        16.4813953654        6.8322844952       14.2065971150
  C        15.5547968523        7.8625148166       14.0137475383
  C        17.4839569867        7.2670456319       17.7699578869
  F        17.6134921606        8.3292304151       18.6224725922
  F        16.7935353106        6.3145314604       18.4805922681
  F        18.7591894626        6.7892552829       17.5408271890
  C        11.3920283673       13.4254546741       17.4308000246
  F        10.7858212562       13.6684210821       18.6260292260
  F        10.4814943448       13.7338154168       16.4321922561
  F        12.4022960917       14.3404280638       17.3058579211
  F        17.6305273348        4.8722822234       13.4874880169
  F        17.3765945454        6.5267205281       12.0283321899
  F        15.6569642057        5.2691628376       12.6114681889
  C        16.7876365576        5.8812571417       13.0905101653
  H        10.7509393991       11.2955038555       19.0033924332
  H        13.0883188447       12.4721020647       15.5913508898
  H        13.0656340647        8.3634371792       16.8572759509
  H        15.4876767097       11.9920570147       16.2763316895
  H        17.7987828727       13.9110987189       13.1927026879
  H        15.1422704231       10.6721193170       12.2008936595
  H        12.7466773416       11.7083013319       13.0150235419
  H        10.2857615298        8.8980726231       10.8786120939
  H        12.9639771049        7.5105610175       13.9402905670
  H        15.6262779267        9.2292772935       17.1205306237
  H        17.8326286680        5.8703946013       15.5815322778
  H        15.1033485773        7.9754437408       13.0299764973
  F         2.7317584433       18.6332298358       20.0997390830
  C         2.7304139933       18.2905622182       18.7679397205
  F         1.4065601160       18.0787583311       18.4736688684
  F         3.3592135661       17.0876657042       18.6313529142
  C         3.3381428800       19.3555155966       17.9096443679
  C         4.1814729572       19.0335790564       16.8411080242
  C         4.6937152317       20.0194969907       15.9753938337
  C         4.2796676411       21.3387373889       16.2260609994
  C         3.4388860221       21.6638950989       17.2990860711
  C         2.9624751179       20.6777165176       18.1592905177
  C         2.9230779228       23.0648912608       17.4350897079
  F         2.3001212564       23.2919228999       18.6238523250
  F         3.9022068993       24.0235984108       17.3054182832
  F         1.9926357752       23.2934746316       16.4318033318
  B         5.6122472257       19.6357115327       14.6728954998
  C         6.6476204941       18.4083201218       14.9716111412
  C         7.2647629116       18.2748381683       16.2276991763
  C         8.2433705800       17.3074772205       16.4688130701
  C         8.6467752603       16.4202175283       15.4706276561
  C         8.0500811609       16.5414205553       14.2161282254
  C         7.0823450698       17.5232269898       13.9689942247
  C         8.4236917559       15.5964654799       13.1146637708
  F         7.3129122361       15.0303719285       12.5391235597
  F         9.2160060226       14.5686882717       13.5620159485
  F         9.1082082018       16.2276654699       12.1007159877
  C         8.7838166928       17.1547082867       17.8520997352
  F         8.9101188370       18.3673719588       18.4839884224
  F        10.0146216280       16.5639163589       17.8929221469
  F         7.9538945335       16.3792768981       18.6304225472
  C         6.6352286162       20.8470247676       14.2687526848
  C         7.2164061992       21.6938377296       15.2318649275
  C         8.1649085689       22.6648173296       14.8900227994
  C         8.5892245196       22.8207429354       13.5669126971
  C         8.0391463613       21.9739822879       12.6043517948
  C         7.0869774505       21.0097189843       12.9488648384
  C         8.4038677066       22.1120105924       11.1583710644
  F         8.8235289449       20.9053246838       10.6312904160
  F         9.3802465432       23.0321162398       10.9269890637
  F         7.3246935022       22.5146094601       10.4081071647
  C         8.6821559390       23.5844635605       15.9565608669
  F         9.6015916831       24.4687976905       15.4764392891
  F         7.6876534933       24.3577055774       16.5044224884
  F         9.2705709574       22.8895548719       17.0030716473
  C         4.5420085415       19.2817299140       13.4817116608
  C         4.0522919819       17.9786539520       13.2702458424
  C         3.0835511685       17.6950034907       12.2961625082
  C         2.5598255784       18.7115427636       11.4961874897
  C         3.0186538179       20.0178684054       11.7031493558
  C         3.9792949967       20.2950261006       12.6789391257
  C         2.3990110277       21.1147021376       10.8867981104
  F         2.3720125546       20.7826209513        9.5418801285
  F         1.0899194452       21.3346448121       11.2600691849
  F         3.0364596283       22.3172982267       10.9980228001
  C         2.5089169223       16.3089084855       12.1876667771
  F         1.9322876508       16.0519212370       10.9843338331
  F         3.4285597241       15.3140372369       12.3964331412
  F         1.5223729183       16.1209688080       13.1305987106
  H         4.4366020914       17.9884151789       16.6724429664
  H         4.6119642436       22.1386783831       15.5656876479
  H         2.2981246562       20.9284271658       18.9816404894
  H         6.9786335273       18.9422776688       17.0391511742
  H         9.3871654176       15.6522157481       15.6707996646
  H         6.6559415065       17.5903610006       12.9692413245
  H         6.9194863849       21.6045297574       16.2759286114
  H         9.3088364560       23.5857241802       13.2938645652
  H         6.6848871483       20.3724229614       12.1628010705
  H         4.4293808895       17.1596020315       13.8803455090
  H         1.8064827438       18.4932143248       10.7431803892
  H         4.2984026778       21.3263822232       12.8169686085
  F        15.6186521979        1.2751101569       -0.2929772892
  C        15.6626422356        1.6686156049        1.0283092909
  F        16.9915796659        1.8962773620        1.3185486247
  F        15.0496125342        2.8841621092        1.1016052158
  C        15.0749268091        0.6115972733        1.9254610341
  C        14.2227032214        0.9230058090        2.9914669201
  C        13.7264810636       -0.0723859251        3.8619739492
  C        14.1656351053       -1.3849024880        3.6266432357
  C        15.0053826651       -1.7037978853        2.5552931871
  C        15.4654226629       -0.7127272899        1.6876598817
  C        15.4679186569       -3.1195996779        2.3835275710
  F        16.0486920360       -3.3178088037        1.1712637311
  F        14.4477026867       -4.0413984085        2.4964012710
  F        16.4090858173       -3.4512325849        3.3543367505
  B        12.7853491666        0.2714475940        5.1564706957
  C        11.7366995785        1.4849648843        4.8441002596
  C        11.1273118876        1.5979221659        3.5799395167
  C        10.1463573823        2.5574614131        3.3186132493
  C         9.7315789978        3.4568734786        4.3053651322
  C        10.3176757460        3.3537457761        5.5643698539
  C        11.2917600619        2.3807382971        5.8299140931
  C         9.9537670426        4.3112106538        6.6595277932
  F        11.0921697677        4.8782638384        7.1886200098
  F         9.1361265424        5.3320646921        6.2381047782
  F         9.3074755569        3.6817472240        7.6989470188
  C         9.6230733081        2.7204018961        1.9277408488
  F         9.4967561421        1.5339574026        1.2494108350
  F         8.4024482211        3.3409410625        1.9034285085
  F        10.4693594905        3.4762330993        1.1632134572
  C        11.7811710817       -0.9605793020        5.5494367554
  C        11.2385202967       -1.8346145440        4.5897254773
  C        10.2897099151       -2.8062019408        4.9263394682
  C         9.8260801483       -2.9396479070        6.2380379932
  C        10.3410191000       -2.0708474598        7.1988063798
  C        11.2967539643       -1.1052615932        6.8609812899
  C         9.9459648341       -2.1877936210        8.6395861875
  F         9.5858604988       -0.9740728317        9.1687759509
  F         8.9075983050       -3.0503369992        8.8702020075
  F        11.0139707585       -2.6144508723        9.3929751577
  C         9.7508833523       -3.6983614594        3.8494820859
  F         8.8175923211       -4.5678829491        4.3252546713
  F        10.7196556990       -4.4527035829        3.2286281261
  F         9.1410768478       -2.9678206106        2.8539643655
  C        13.8515677769        0.6102032169        6.3529882962
  C        14.3438253863        1.9090933182        6.5638026694
  C        15.3258117512        2.1850102118        7.5250630501
  C        15.8699492208        1.1704558966        8.3091856238
  C        15.4107614822       -0.1346282839        8.0996547658
  C        14.4267849738       -0.4069796047        7.1436661573
  C        16.0229803880       -1.2295682390        8.9220548771
  F        16.0411923760       -0.8758034322       10.2618777969
  F        17.3295835613       -1.4916752619        8.5809001169
  F        15.3720953344       -2.4177133748        8.8047251385
  C        15.8739334497        3.5757087962        7.6213788765
  F        16.4770716475        3.8574648984        8.8089245185
  F        14.9137051087        4.5287294404        7.4080968842
  F        16.8298898021        3.7882961458        6.6592284884
  H        13.9408102784        1.9629926139        3.1504483644
  H        13.8443872214       -2.1855993899        4.2918540138
  H        16.1221603968       -0.9615474211        0.8586580265
  H        11.4240091738        0.9228650335        2.7778979719
  H         8.9912890711        4.2215735363        4.0918389270
  H        11.7169969907        2.3331467586        6.8316920325
  H        11.5583894879       -1.7608595850        3.5510037701
  H         9.0976612083       -3.6986593763        6.5042701777
  H        11.6701397140       -0.4467558532        7.6439708971
  H        13.9596828728        2.7326721312        5.9639261061
  H        16.6328694412        1.3884540403        9.0524110337
  H        14.1009645621       -1.4369407928        7.0105077025
  H        10.7908055982       11.7848169107        4.6765446072
  H        11.5897962380       10.0303686336        3.1229526607
     646
 i =      161, E =         0.0028142979
 Rh         3.6504898044        0.2417927715        4.8228783755
  P         5.3933133525        0.6389687000        6.2911958921
  C         5.2314151606       -0.3123830430        7.8716808545
  C         4.8453957937       -1.7882310494        7.6533224923
  C         4.5347126861       -2.4535527786        9.0046060154
  C         5.7167199734       -2.3400646660        9.9776979181
  C         6.1817443153       -0.8854189771       10.1427750493
  C         6.4578905253       -0.2039325750        8.7911447066
  C         5.6695267336        2.4066454366        6.8123608247
  C         4.6323105935        2.8268265409        7.8769958727
  C         4.6478701166        4.3349310686        8.1737065285
  C         4.5506738839        5.1683541142        6.8930618399
  C         5.6876267969        4.8045076197        5.9355771061
  C         5.6308331915        3.3164213773        5.5648860317
  C         7.0068466842        0.0997061278        5.5227824641
  C         6.9785832853        0.2359547356        3.9909295960
  P         5.3157680841       -0.2377176991        3.2966446866
  C         5.4845369662       -2.0238772330        2.7952459355
  C         4.4026564521       -2.4038925677        1.7638262859
  C         4.3882384967       -3.9080402300        1.4683754734
  C         4.2530143287       -4.7414901505        2.7448075554
  C         5.3961939744       -4.4208404138        3.7123004145
  C         5.4266121282       -2.9217935481        4.0523975863
  C         5.1180099741        0.6982269075        1.7108253329
  C         4.8326352608        2.1968500847        1.9293260863
  C         4.4299956430        2.8455844377        0.5942058035
  C         5.5104792024        2.6496093460       -0.4803673046
  C         5.8880016158        1.1687558568       -0.6462614847
  C         6.2576429870        0.5090173550        0.6955201795
  C         1.8908308026        0.3179128173        3.4714399564
  C         1.9135298859       -0.9283036448        4.1038739041
  C         1.0811443670       -0.7870301650        5.3932139278
  C         1.9525505616        0.1483134129        6.2595683116
  C         1.9290230491        1.3934599690        5.6294875686
  C         1.0429838521        1.2391350522        4.3768498492
  C        -0.0001947095        0.2161366027        4.9052802400
  H         4.3780769603        0.1784979411        8.3686415354
  H         5.6733609264       -2.3220586019        7.1628356010
  H         3.9813853334       -1.8602424283        6.9756670367
  H         4.2642310210       -3.5081509270        8.8528247255
  H         3.6497020829       -1.9680668830        9.4413225165
  H         5.4380955113       -2.7584247455       10.9558538909
  H         6.5523996380       -2.9515759513        9.6111635841
  H         7.0906305282       -0.8402580556       10.7611815722
  H         5.4032091487       -0.3158378158       10.6740938590
  H         6.7449151000        0.8434787062        8.9520048718
  H         7.3141993025       -0.6886936903        8.3047561168
  H         6.6764348298        2.4623161172        7.2571805888
  H         4.8117542912        2.2742034949        8.8089590487
  H         3.6256340425        2.5396686295        7.5421161248
  H         5.5753252631        4.5977536151        8.7027239305
  H         3.8215496654        4.5724709326        8.8589460707
  H         4.5706431850        6.2389167685        7.1400036112
  H         3.5849793411        4.9886641352        6.3975782693
  H         6.6524514139        5.0351517416        6.4072040002
  H         5.6391723812        5.4044064850        5.0171949091
  H         6.4619240949        3.0654066090        4.8890662505
  H         4.7040902953        3.1144702893        5.0033394865
  H         7.8439603674        0.6638217842        5.9588329283
  H         7.1490809768       -0.9516194707        5.8108554676
  H         7.7716885447       -0.3629431937        3.5207536551
  H         7.1485274101        1.2809365890        3.6955417881
  H         6.4749682840       -2.1368305926        2.3257273715
  H         4.5597430823       -1.8510110113        0.8275768880
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 Rh         5.9507510715       10.0593538844       14.9881104845
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  C         6.4461680445        7.8482136732        2.4608515936
  C         5.5471813698        8.1621768038        3.4943200016
  C         5.1594623779        9.4852598337        3.7744575879
  C         5.7349336424       10.4830682970        2.9577519830
  B         4.2406748903        9.8997155125        5.0771920867
  C         3.2164552209        8.7124224175        5.5719904413
  C         2.5877905895        7.8534138960        4.6588354528
  C         1.6593108291        6.8798650251        5.0591482384
  C         1.2946873770        6.7380129021        6.3995839945
  C         1.8883576012        7.6069857669        7.3247831711
  C         2.8240583845        8.5663737130        6.9167031641
  C         1.5834944418        7.5070251473        8.7959170276
  F         0.6300350292        6.5795796054        9.0907036582
  F         2.6869209997        7.1597199438        9.5336760069
  F         1.1749953673        8.7178232435        9.3116775421
  C         1.1560411373        5.9759403890        3.9691908220
  F         2.1806521301        5.2392561209        3.4408633291
  F         0.1945332883        5.0749702463        4.3301196041
  F         0.6520237782        6.7255152567        2.9284448106
  C         5.3439416491       10.2466735312        6.2215113419
  C         5.8966366866        9.1914271335        6.9518247094
  C         6.8566047617        9.3863263903        7.9454583309
  C         7.3166675876       10.6704217411        8.2511434645
  C         6.8189085686       11.7410087559        7.4916249521
  C         5.8572385216       11.5263108010        6.4935978954
  C         7.3346272221       13.1430578425        7.6994835180
  F         7.8476618691       13.3443386697        8.9472557177
  F         6.3559145896       14.0810339008        7.4845110173
  F         8.3397592303       13.4811701847        6.8170674156
  C         7.2736466186        8.1350933402        8.6617007542
  F         8.4344334413        8.2299255213        9.3839049616
  F         7.4253889162        7.1002826261        7.7769308795
  F         6.2868086535        7.7316775852        9.5347110829
  C         3.2330650848       11.1417351224        4.7871109522
  C         2.6313958738       11.2897367756        3.5284200478
  C         1.6671022710       12.2670528152        3.2885400483
  C         1.2688429371       13.1631737447        4.2813337945
  C         1.8564217731       13.0322256529        5.5380390362
  C         2.8056915937       12.0319223923        5.7901528047
  C         1.1058543416       12.3797201176        1.9157313026
  F         1.0153385278       11.1551723485        1.3117546221
  F         1.8933663966       13.1556127576        1.0973907682
  F        -0.1577692079       12.9027418324        1.9035612337
  C         6.8216105873        6.4132606488        2.2180167643
  F         7.6151328670        6.2391600917        1.1140590422
  F         7.4983524872        5.8849755038        3.2977676264
  F         5.7124691113        5.6254561498        2.0531402354
  F         0.7125870204       15.0295866239        6.2355244383
  F         0.8947786756       13.3791071034        7.6961249880
  F         2.6779586278       14.5684768194        7.1196923535
  C         1.5258361203       13.9969958285        6.6375395604
  H         7.6841986104        8.6042869914        0.8620521558
  H         5.1446074048        7.3474326589        4.0955773767
  H         5.4810680019       11.5283412806        3.1318637172
  H         2.8294622089        7.9296415002        3.5989580673
  H         0.5924720554        5.9713672856        6.7130792384
  H         3.2679997976        9.2090641886        7.6758583622
  H         5.5664054939        8.1757827551        6.7428312979
  H         8.0508113060       10.8353959311        9.0326652979
  H         5.4903284916       12.3838679663        5.9320320948
  H         2.9127577130       10.6191186229        2.7187100112
  H         0.5378617000       13.9385868508        4.0779164513
  H         3.2242538293       11.9535872900        6.7926232661
  F         9.9827064373        8.3886249200       18.4854865388
  C        11.2757898419        8.6560462517       18.8871122197
  F        11.9352899295        7.4690073265       18.8445504805
  F        11.2165307885        9.0173382494       20.2227479717
  C        11.8821818611        9.7244036939       18.0214712957
  C        11.4398901140       11.0394468743       18.2033529681
  C        11.8888879676       12.0128764186       17.3108955904
  C        12.7686512864       11.6831932788       16.2710690405
  C        13.2420660610       10.3736713060       16.0774162526
  C        12.7609162391        9.4012801611       16.9797694413
  B        14.1539172069        9.9817034430       14.7701403186
  C        15.1597704887       11.1868602661       14.3000541180
  C        15.7606485820       12.0582896185       15.2242172245
  C        16.7003770882       13.0218046789       14.8368524514
  C        17.0860332835       13.1507812871       13.4974604615
  C        16.5062621828       12.2862045279       12.5611386384
  C        15.5689473477       11.3260037380       12.9601448430
  C        16.8418491274       12.3970840418       11.0970955299
  F        17.8577358142       13.2701480255       10.8524447664
  F        15.7543410040       12.8160346033       10.3459167961
  F        17.2354232178       11.1905639483       10.5610061047
  C        17.2385346751       13.9424589044       15.8965607029
  F        16.2460700097       14.6728149972       16.4976242702
  F        18.1481791728       14.8384007558       15.4057476493
  F        17.8385582795       13.2541731123       16.9333851974
  C        13.0463421473        9.6453031308       13.5993669076
  C        12.4462725723       10.6741292696       12.8456290686
  C        11.4660188703       10.4125052751       11.8786999402
  C        11.0447275221        9.1065312606       11.6260890085
  C        11.6008087584        8.0758951454       12.3855357442
  C        12.5720345707        8.3423711650       13.3566121019
  C        11.0269116728        6.6993670524       12.2314326762
  F        10.4970924394        6.4947337173       10.9940068457
  F        11.9227738831        5.6913620582       12.4654577384
  F        10.0059811230        6.4973862335       13.1315559745
  C        10.9014900348       11.5271023823       11.0435463042
  F         9.7394905873       11.1775853045       10.4115836593
  F        10.6241859912       12.6595344185       11.7439135523
  F        11.7669268606       11.8876460522       10.0452508920
  C        15.1887939999        8.7406097491       15.0510057849
  C        15.8547842068        8.5660326745       16.2870682203
  C        16.8098125831        7.5592621150       16.4633001865
  C        17.1183380675        6.6718998200       15.4296500336
  C        16.4813405884        6.8323113074       14.2065721563
  C        15.5547151422        7.8623461407       14.0136180118
  C        17.4838757024        7.2670304361       17.7697122330
  F        17.6135318334        8.3293826778       18.6226447642
  F        16.7934808646        6.3144497140       18.4806878811
  F        18.7592480105        6.7892338230       17.5408402520
  C        11.3920110497       13.4254976322       17.4308220331
  F        10.7858447319       13.6684042551       18.6259983192
  F        10.4815103674       13.7338017534       16.4322049129
  F        12.4022848895       14.3404117733       17.3058563952
  F        17.6304857822        4.8723402011       13.4874765748
  F        17.3765561869        6.5267027412       12.0283936827
  F        15.6570568893        5.2692366852       12.6115356117
  C        16.7876287982        5.8811840965       13.0904281383
  H        10.7510628784       11.2955233938       19.0035059917
  H        13.0883050359       12.4720897800       15.5913469796
  H        13.0654862931        8.3633858509       16.8571690479
  H        15.4875753368       11.9921199520       16.2763012948
  H        17.7987836082       13.9110710518       13.1927024770
  H        15.1423233091       10.6720213619       12.2008948803
  H        12.7466764976       11.7083254747       13.0150158344
  H        10.2858939459        8.8980565201       10.8784733450
  H        12.9637825118        7.5105551942       13.9404889765
  H        15.6262119414        9.2292257224       17.1205167484
  H        17.8327966365        5.8705130425       15.5814575122
  H        15.1031837653        7.9752881775       13.0300976601
  F         2.7317536912       18.6332378406       20.0997158688
  C         2.7303828876       18.2905136925       18.7679539578
  F         1.4065366206       18.0787622764       18.4736625803
  F         3.3591946073       17.0876849107       18.6313538531
  C         3.3380775019       19.3555745093       17.9096129788
  C         4.1814967456       19.0337347093       16.8410045146
  C         4.6936210189       20.0194862119       15.9755751152
  C         4.2797949636       21.3386464727       16.2260806455
  C         3.4389419669       21.6638282006       17.2990358616
  C         2.9623404071       20.6776189032       18.1592982172
  C         2.9228707441       23.0651966078       17.4352983097
  F         2.3003687223       23.2917528255       18.6234963117
  F         3.9021373663       24.0234769615       17.3054248756
  F         1.9927456130       23.2933968055       16.4318765057
  B         5.6122651913       19.6356492645       14.6728834596
  C         6.6475352609       18.4082436067       14.9716768166
  C         7.2646880481       18.2747379438       16.2277760813
  C         8.2433756701       17.3074532396       16.4688586037
  C         8.6468282015       16.4202866058       15.4706132073
  C         8.0500972712       16.5413676708       14.2161118792
  C         7.0822638653       17.5231273838       13.9690231684
  C         8.4236966341       15.5965064961       13.1147319271
  F         7.3128521087       15.0303278754       12.5390753278
  F         9.2160288505       14.5686535623       13.5620206399
  F         9.1082438903       16.2276835026       12.1006704364
  C         8.7837872275       17.1546866331       17.8520290037
  F         8.9101335291       18.3674126544       18.4840247743
  F        10.0146487134       16.5639004281       17.8929332355
  F         7.9538877058       16.3792625200       18.6304407910
  C         6.6352739615       20.8469149841       14.2688102421
  C         7.2164945834       21.6937192705       15.2319219600
  C         8.1649417657       22.6648076761       14.8900669478
  C         8.5891574775       22.8207486596       13.5669192088
  C         8.0391426771       21.9739434232       12.6043096558
  C         7.0870377451       21.0096436777       12.9488492769
  C         8.4038263458       22.1119643393       11.1584510474
  F         8.8235399705       20.9052954957       10.6312769909
  F         9.3803017633       23.0321752614       10.9269594717
  F         7.3246645510       22.5146273282       10.4080820982
  C         8.6821545899       23.5844110426       15.9565350993
  F         9.6015989882       24.4688063376       15.4764423283
  F         7.6876367339       24.3577216604       16.5044368625
  F         9.2705768240       22.8895526822       17.0030823820
  C         4.5420484411       19.2817040629       13.4817854471
  C         4.0522869726       17.9785649888       13.2702858108
  C         3.0835581294       17.6949648633       12.2961441589
  C         2.5598854251       18.7115619934       11.4961802251
  C         3.0186665005       20.0179111747       11.7031244733
  C         3.9792582835       20.2950650824       12.6788952449
  C         2.3990198839       21.1145514578       10.8868219449
  F         2.3719842634       20.7826361456        9.5418857290
  F         1.0899099062       21.3346531821       11.2600577615
  F         3.0365328190       22.3174104297       10.9980190545
  C         2.5089369952       16.3089474317       12.1876744933
  F         1.9322689916       16.0519048927       10.9843146425
  F         3.4285730771       15.3140234042       12.3964366675
  F         1.5223712348       16.1209582859       13.1305974945
  H         4.4365683271       17.9883499358       16.6724298644
  H         4.6121455507       22.1387267464       15.5658237838
  H         2.2979605110       20.9284029808       18.9815035661
  H         6.9785015321       18.9420906004       17.0392047237
  H         9.3873675039       15.6523202395       15.6707418320
  H         6.6558069223       17.5902039683       12.9693112294
  H         6.9196665011       21.6043421559       16.2759571326
  H         9.3087008956       23.5858255139       13.2938360852
  H         6.6849593308       20.3723195161       12.1628309031
  H         4.4293146369       17.1596295681       13.8803497574
  H         1.8065015504       18.4932041278       10.7431277086
  H         4.2983985059       21.3263464173       12.8170069489
  F        15.6186473530        1.2751151719       -0.2929277342
  C        15.6626886844        1.6687095750        1.0282591608
  F        16.9915128465        1.8962518595        1.3185362772
  F        15.0496517277        2.8840822585        1.1016057274
  C        15.0749284106        0.6115922064        1.9254764718
  C        14.2225898535        0.9229798951        2.9914058742
  C        13.7263971638       -0.0723950645        3.8618466167
  C        14.1654766453       -1.3848982162        3.6265211622
  C        15.0053699631       -1.7037990801        2.5552851078
  C        15.4655600326       -0.7127322211        1.6877400946
  C        15.4679095944       -3.1196029950        2.3835299154
  F        16.0486964738       -3.3178024719        1.1712462235
  F        14.4476973833       -4.0413910362        2.4963986024
  F        16.4090812268       -3.4512287253        3.3543258378
  B        12.7852903434        0.2714679696        5.1564113052
  C        11.7366696297        1.4850892684        4.8440397144
  C        11.1273453308        1.5980211585        3.5799517768
  C        10.1463673284        2.5575013647        3.3186117928
  C         9.7315311628        3.4569247455        4.3053310944
  C        10.3176846900        3.3537504245        5.5643350213
  C        11.2917845619        2.3807558570        5.8298411022
  C         9.9537248884        4.3112898445        6.6596156001
  F        11.0921316149        4.8782280225        7.1885836510
  F         9.1361389847        5.3320373046        6.2381073743
  F         9.3075207549        3.6817671261        7.6988776071
  C         9.6230587342        2.7204170556        1.9277013469
  F         9.4967552591        1.5339694876        1.2494195575
  F         8.4024333547        3.3409495673        1.9034277802
  F        10.4693568330        3.4762453977        1.1632078006
  C        11.7810585176       -0.9604593745        5.5493811316
  C        11.2383330864       -1.8344645265        4.5896586552
  C        10.2896814210       -2.8061544613        4.9262989970
  C         9.8261580572       -2.9397074511        6.2380480080
  C        10.3410322635       -2.0708255981        7.1988195019
  C        11.2966830278       -1.1051855104        6.8609552242
  C         9.9459793975       -2.1878001490        8.6395638567
  F         9.5858528271       -0.9740478135        9.1687939557
  F         8.9075915969       -3.0503477200        8.8702069216
  F        11.0139858062       -2.6144546741        9.3929816982
  C         9.7508772936       -3.6983334408        3.8494917326
  F         8.8175759255       -4.5678984108        4.3252634486
  F        10.7196678876       -4.4527139696        3.2286228322
  F         9.1410638065       -2.9678133166        2.8539528524
  C        13.8515524773        0.6102349856        6.3528993941
  C        14.3438213241        1.9091133449        6.5637167747
  C        15.3258443621        2.1849851362        7.5250351840
  C        15.8699717050        1.1704654674        8.3090809091
  C        15.4107496304       -0.1346384461        8.0995879866
  C        14.4267750245       -0.4070278708        7.1436481083
  C        16.0229870025       -1.2295771209        8.9220322929
  F        16.0411841063       -0.8757917385       10.2618567786
  F        17.3295756315       -1.4916683811        8.5808970697
  F        15.3720880725       -2.4177139777        8.8047190610
  C        15.8739707847        3.5756571692        7.6213668596
  F        16.4770597508        3.8574614489        8.8089039192
  F        14.9136698002        4.5287777246        7.4080841503
  F        16.8298947370        3.7883084437        6.6592174916
  H        13.9406476722        1.9629602918        3.1502839467
  H        13.8440798361       -2.1856668159        4.2916251953
  H        16.1224710351       -0.9615015792        0.8588702437
  H        11.4240537686        0.9229840933        2.7778182087
  H         8.9912460567        4.2215970826        4.0918363400
  H        11.7170056518        2.3331997501        6.8316680835
  H        11.5580494944       -1.7605704440        3.5509176155
  H         9.0978505674       -3.6988341188        6.5043227162
  H        11.6700407709       -0.4466543529        7.6439218269
  H        13.9597093682        2.7326563610        5.9638532480
  H        16.6329546267        1.3884181294        9.0522666381
  H        14.1008838573       -1.4369190971        7.0104942939
  H        10.7904264292       11.7851531281        4.6747246110
  H        11.5894692860       10.0293952102        3.1227424082
     646
 i =      162, E =         0.0005215356
 Rh         3.6505721125        0.2418145931        4.8229059705
  P         5.3933843707        0.6389850361        6.2912577594
  C         5.2314532357       -0.3125035073        7.8716407263
  C         4.8455854052       -1.7883185510        7.6532161509
  C         4.5347351566       -2.4538315965        9.0042946878
  C         5.7166374941       -2.3403866643        9.9774972306
  C         6.1817419952       -0.8857893097       10.1427997772
  C         6.4578061509       -0.2040447036        8.7912643941
  C         5.6695069434        2.4066677145        6.8124108805
  C         4.6322455779        2.8268793962        7.8770014370
  C         4.6483361027        4.3350094784        8.1737544866
  C         4.5508024443        5.1684342700        6.8931668621
  C         5.6874149889        4.8045334292        5.9352887479
  C         5.6310193210        3.3163590096        5.5648956872
  C         7.0069581769        0.0998240815        5.5228042118
  C         6.9785952741        0.2361687796        3.9909512468
  P         5.3158737945       -0.2377619831        3.2966746819
  C         5.4845630106       -2.0238666088        2.7954018775
  C         4.4031623809       -2.4039879798        1.7637278292
  C         4.3882049056       -3.9081034040        1.4686336447
  C         4.2532303648       -4.7413911816        2.7450608913
  C         5.3963607409       -4.4207748157        3.7124357924
  C         5.4269838839       -2.9217962532        4.0524065663
  C         5.1179203650        0.6981798993        1.7108494801
  C         4.8323929432        2.1967393468        1.9294447541
  C         4.4299525992        2.8456455198        0.5943120504
  C         5.5106801766        2.6498387333       -0.4801726849
  C         5.8878900610        1.1688478608       -0.6462415757
  C         6.2574339869        0.5088449882        0.6954524244
  C         1.8909288696        0.3179079858        3.4714548925
  C         1.9135460422       -0.9282039866        4.1040404716
  C         1.0812971277       -0.7865546239        5.3932156580
  C         1.9526090512        0.1485644743        6.2595380471
  C         1.9291820086        1.3937146628        5.6293419682
  C         1.0431723621        1.2391684894        4.3767970628
  C        -0.0000796874        0.2163998065        4.9053561384
  H         4.3780245318        0.1783185297        8.3686049187
  H         5.6735749086       -2.3220800346        7.1627354365
  H         3.9815569613       -1.8603408843        6.9753308906
  H         4.2642204506       -3.5083359987        8.8524382773
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  H        14.6279589839        7.1222447262        7.2194370822
  H        13.1344234347        6.0388454770        8.9308813149
  H        12.5342353736        7.6213931890        9.4107750368
  H        14.2883554344        6.8872841385       11.0064209945
  H        15.4249016513        6.6249590655        9.6916215106
  H        15.9416399189        8.7951633030       10.7393796835
  H        14.2555540521        9.3121529337       10.5954853335
  H        16.2186894988        8.8374166471        8.2857555712
  H        15.6134074811       10.3898336292        8.8507631143
  H        10.0238003476       10.0221785725        2.4604350614
  H        11.2115058650        9.4714479976        7.2040829926
  H         9.0924816884       10.7212388139        6.4429785124
  H         8.0343775556        9.3604219197        4.3488267465
  H         8.5392742756        8.2294128981        5.6427521971
  H        10.0012095777        7.7406382811        3.4494035995
  H         9.1506501399       11.5810827794        4.0444010982
  H        11.6077135861        7.4278975339        5.4757118508
  F         8.5024264348       11.5983949740        1.4655788181
  C         7.2277514574       11.2411494355        1.0646545696
  F         6.4847130146       12.3780425343        1.0305451335
  F         7.3491656808       10.8246063628       -0.2360712753
  C         6.6266209383       10.1720640656        1.9258938661
  C         6.9951301467        8.8483513022        1.6653632773
  C         6.4460783617        7.8481425195        2.4609885464
  C         5.5475225762        8.1615620309        3.4942011341
  C         5.1591903109        9.4855150913        3.7749001503
  C         5.7350948969       10.4835474214        2.9576212036
  B         4.2407918934        9.8995834947        5.0772098071
  C         3.2168773041        8.7129693464        5.5720901058
  C         2.5873778203        7.8528159140        4.6585046195
  C         1.6593713589        6.8797624623        5.0586517430
  C         1.2949968967        6.7383742437        6.3996456057
  C         1.8881211366        7.6068084564        7.3250821429
  C         2.8239495096        8.5664750993        6.9169391987
  C         1.5837950001        7.5072193143        8.7951831821
  F         0.6296545597        6.5792385663        9.0909305002
  F         2.6870931830        7.1596045688        9.5339538237
  F         1.1748052502        8.7180840253        9.3119744387
  C         1.1564196221        5.9765313620        3.9697620043
  F         2.1808319403        5.2390439102        3.4406584815
  F         0.1941339241        5.0746431155        4.3302001902
  F         0.6518734489        6.7256647491        2.9281387905
  C         5.3437133951       10.2467441024        6.2213643816
  C         5.8965860015        9.1911522542        6.9520071792
  C         6.8566621539        9.3861075286        7.9456061334
  C         7.3166155037       10.6706633386        8.2509856567
  C         6.8190002022       11.7409473476        7.4917101348
  C         5.8573753775       11.5264667051        6.4936893484
  C         7.3345020750       13.1427710536        7.6993444713
  F         7.8478065744       13.3444536285        8.9475270730
  F         6.3558070074       14.0812199052        7.4844898543
  F         8.3399045288       13.4812681395        6.8169751948
  C         7.2735576926        8.1353304873        8.6615732139
  F         8.4345166366        8.2299064275        9.3839733677
  F         7.4254143617        7.1001753649        7.7768659694
  F         6.2867542574        7.7316063393        9.5348010107
  C         3.2326047164       11.1423230403        4.7869784737
  C         2.6320257802       11.2894167313        3.5291250269
  C         1.6666365439       12.2676225460        3.2886386008
  C         1.2692742154       13.1626730434        4.2815513163
  C         1.8558951874       13.0326822088        5.5376208799
  C         2.8062219413       12.0312454567        5.7896392880
  C         1.1057409369       12.3797101234        1.9154813665
  F         1.0153510566       11.1552655639        1.3118116330
  F         1.8933036635       13.1555399143        1.0975142406
  F        -0.1575615777       12.9026639797        1.9036231608
  C         6.8215791710        6.4136966619        2.2180706961
  F         7.6152341800        6.2390670936        1.1139527693
  F         7.4985125414        5.8847932885        3.2979444355
  F         5.7121918363        5.6251998361        2.0530649343
  F         0.7126442805       15.0295125550        6.2355008441
  F         0.8948070596       13.3791357271        7.6960478183
  F         2.6779052499       14.5684613462        7.1196484516
  C         1.5258375637       13.9970552817        6.6376895582
  H         7.6840678376        8.6042406510        0.8618066660
  H         5.1448238612        7.3476180667        4.0956851013
  H         5.4812104922       11.5281446679        3.1319302043
  H         2.8295795872        7.9295942467        3.5990797541
  H         0.5923449280        5.9711753724        6.7131473352
  H         3.2678057916        9.2091741805        7.6757317628
  H         5.5662696149        8.1759432716        6.7430351556
  H         8.0509450658       10.8353829398        9.0326688968
  H         5.4903897005       12.3838451359        5.9319877404
  H         2.9128303437       10.6190926217        2.7185319897
  H         0.5376031553       13.9386516896        4.0779062006
  H         3.2244231905       11.9537354419        6.7927712338
  F         9.9827884254        8.3886678042       18.4854998939
  C        11.2757808037        8.6558708981       18.8871558242
  F        11.9352179609        7.4691745113       18.8445346569
  F        11.2165456472        9.0173418666       20.2227012716
  C        11.8821567526        9.7244075038       18.0215027865
  C        11.4399105464       11.0395775587       18.2033544145
  C        11.8889499889       12.0127620059       17.3108678890
  C        12.7685224584       11.6833667079       16.2711646929
  C        13.2421342615       10.3736201413       16.0773135192
  C        12.7609204574        9.4010547483       16.9797431347
  B        14.1537375603        9.9817180270       14.7701210845
  C        15.1598027973       11.1868957220       14.3000857883
  C        15.7606303600       12.0582979997       15.2241687493
  C        16.7003627201       13.0217647203       14.8367219519
  C        17.0860522799       13.1508204652       13.4975880737
  C        16.5062046214       12.2861378213       12.5612292164
  C        15.5689235420       11.3259205250       12.9600614792
  C        16.8420954483       12.3972161811       11.0967969045
  F        17.8574108292       13.2698734098       10.8525828021
  F        15.7543804710       12.8159930299       10.3459994684
  F        17.2353605129       11.1906830277       10.5611329284
  C        17.2385101646       13.9424213253       15.8965789934
  F        16.2460478387       14.6728386677       16.4976473351
  F        18.1482404438       14.8384485536       15.4057221591
  F        17.8385766975       13.2541641413       16.9334002490
  C        13.0467421556        9.6454384207       13.5997671369
  C        12.4460085818       10.6746963235       12.8452931508
  C        11.4660062736       10.4123903328       11.8786853107
  C        11.0448349290        9.1067290529       11.6261149473
  C        11.6008819901        8.0759874570       12.3856118088
  C        12.5718296504        8.3415877349       13.3566670828
  C        11.0268937632        6.6993115842       12.2314187236
  F        10.4971290296        6.4947470468       10.9940619781
  F        11.9227637168        5.6913822037       12.4654593517
  F        10.0059884927        6.4973883826       13.1315514957
  C        10.9016690998       11.5267126870       11.0438268625
  F         9.7392952454       11.1775791508       10.4114044534
  F        10.6240598360       12.6598619309       11.7440315658
  F        11.7670946394       11.8877928228       10.0449125069
  C        15.1891629686        8.7400913824       15.0509183206
  C        15.8544496887        8.5661153062       16.2865541545
  C        16.8097948297        7.5594332398       16.4635712714
  C        17.1184487598        6.6716112433       15.4291762792
  C        16.4815241354        6.8320771503       14.2065792700
  C        15.5545630480        7.8627895386       14.0144751966
  C        17.4840188320        7.2670978886       17.7702458028
  F        17.6134240386        8.3289676256       18.6221773269
  F        16.7936343247        6.3146856336       18.4804323413
  F        18.7590897837        6.7892896821       17.5408195833
  C        11.3920530895       13.4254127210       17.4307844709
  F        10.7857742053       13.6684554673       18.6261091994
  F        10.4814668070       13.7338321975       16.4321711550
  F        12.4023291206       14.3404698763       17.3058510087
  F        17.6306364426        4.8721572318       13.4874996883
  F        17.3766865668        6.5267576156       12.0281802780
  F        15.6567707449        5.2689976427       12.6113114651
  C        16.7876368236        5.8814371240       13.0907584414
  H        10.7511387481       11.2955151582       19.0035618814
  H        13.0883021242       12.4720537018       15.5913498007
  H        13.0653781082        8.3634619742       16.8571239158
  H        15.4875101938       11.9921458404       16.2763250586
  H        17.7987796586       13.9110448932       13.1926946086
  H        15.1423805521       10.6720083149       12.2009429302
  H        12.7466441866       11.7080928017       13.0150110653
  H        10.2859013994        8.8980183964       10.8783375444
  H        12.9635796692        7.5108414630       13.9404328686
  H        15.6261843344        9.2292628000       17.1206662635
  H        17.8327844914        5.8707004212       15.5814159266
  H        15.1029384407        7.9752108357       13.0297579803
  F         2.7317395101       18.6332315310       20.0997866877
  C         2.7304660526       18.2906540254       18.7677855763
  F         1.4064809071       18.0787355501       18.4736656552
  F         3.3592344187       17.0875870760       18.6313565017
  C         3.3380550469       19.3552876279       17.9096255788
  C         4.1812767016       19.0327709785       16.8414390700
  C         4.6941607595       20.0194765112       15.9749037849
  C         4.2794380307       21.3393399072       16.2264821058
  C         3.4389048795       21.6637629788       17.2990590105
  C         2.9624816164       20.6780664772       18.1589247274
  C         2.9235496512       23.0642642966       17.4346003239
  F         2.2995489309       23.2922854929       18.6246366384
  F         3.9023374496       24.0238639227       17.3054214357
  F         1.9923655630       23.2936696026       16.4316360630
  B         5.6121589334       19.6356379664       14.6730457535
  C         6.6476286151       18.4080590672       14.9716964477
  C         7.2645058092       18.2747955277       16.2277139953
  C         8.2434092155       17.3073824623       16.4687980542
  C         8.6468978002       16.4202336299       15.4705070795
  C         8.0500688055       16.5414820380       14.2163277825
  C         7.0822116143       17.5231337979       13.9691675106
  C         8.4237513273       15.5962662673       13.1144480791
  F         7.3130406368       15.0304843163       12.5392422511
  F         9.2159290072       14.5688030120       13.5620098409
  F         9.1081217704       16.2276258560       12.1008397004
  C         8.7838955467       17.1547099178       17.8522723099
  F         8.9100951623       18.3672424839       18.4838825194
  F        10.0145192719       16.5639685837       17.8928756554
  F         7.9539359406       16.3793189111       18.6303465281
  C         6.6354518292       20.8469956878       14.2687562639
  C         7.2165913301       21.6936536584       15.2317168964
  C         8.1648523042       22.6646381936       14.8899563352
  C         8.5891344127       22.8207806257       13.5669777861
  C         8.0391892152       21.9739919217       12.6043942194
  C         7.0869363726       21.0095111925       12.9490688101
  C         8.4039570743       22.1120876399       11.1581829307
  F         8.8235032936       20.9053331651       10.6313444909
  F         9.3800957098       23.0319637633       10.9270680838
  F         7.3247605430       22.5145635455       10.4081869054
  C         8.6822299357       23.5845816022       15.9566553801
  F         9.6015424929       24.4687245162       15.4764585130
  F         7.6877017916       24.3576329335       16.5043694357
  F         9.2705528490       22.8895474738       17.0030473538
  C         4.5418099461       19.2816515458       13.4815440264
  C         4.0521730990       17.9790444189       13.2700555651
  C         3.0836728746       17.6951788699       12.2961842364
  C         2.5598721512       18.7112465466       11.4961955888
  C         3.0185420835       20.0179968236       11.7029547296
  C         3.9795873878       20.2948066556       12.6792974240
  C         2.3990585251       21.1148247012       10.8867355893
  F         2.3720091412       20.7826110412        9.5419671033
  F         1.0899891494       21.3346148790       11.2600629409
  F         3.0363723573       22.3171396567       10.9980246474
  C         2.5088408578       16.3087625328       12.1875709808
  F         1.9323288391       16.0519555751       10.9843822098
  F         3.4285458673       15.3140996970       12.3964325228
  F         1.5224080339       16.1209969743       13.1305912289
  H         4.4364590453       17.9888142432       16.6724637083
  H         4.6122515523       22.1386260839       15.5659191966
  H         2.2977595326       20.9283887247       18.9815766535
  H         6.9784374042       18.9419874398       17.0392455805
  H         9.3874369808       15.6524242803       15.6707095268
  H         6.6557125926       17.5901223335       12.9692901251
  H         6.9197305235       21.6042311433       16.2761008273
  H         9.3086146365       23.5858597793       13.2938158939
  H         6.6849963428       20.3722483780       12.1628103398
  H         4.4293928518       17.1593791214       13.8805361138
  H         1.8065693585       18.4932387346       10.7431426122
  H         4.2983920422       21.3263961755       12.8170022745
  F        15.6186722189        1.2751057535       -0.2931158069
  C        15.6625536043        1.6684105698        1.0284328465
  F        16.9917676076        1.8963434544        1.3185631074
  F        15.0495308515        2.8843506367        1.1015980169
  C        15.0749758309        0.6116367371        1.9254281160
  C        14.2226082072        0.9230272473        2.9912569768
  C        13.7262501907       -0.0723800047        3.8619074438
  C        14.1654228516       -1.3850383115        3.6264532057
  C        15.0053606191       -1.7038181556        2.5552907731
  C        15.4655914565       -0.7126537651        1.6878248351
  C        15.4679032942       -3.1195987861        2.3835275522
  F        16.0486904105       -3.3178066783        1.1712591338
  F        14.4476929802       -4.0413977796        2.4963975137
  F        16.4090839700       -3.4512359491        3.3543237759
  B        12.7852300540        0.2715248677        5.1563298762
  C        11.7369094188        1.4848903668        4.8440556788
  C        11.1272144241        1.5980718246        3.5795741137
  C        10.1464066490        2.5574973198        3.3186345958
  C         9.7315447086        3.4569127198        4.3053238046
  C        10.3176757740        3.3538009006        5.5643791578
  C        11.2916983725        2.3810087782        5.8301173928
  C         9.9538103697        4.3111130904        6.6593927437
  F        11.0922264193        4.8783320143        7.1886822374
  F         9.1360685906        5.3321548774        6.2381076924
  F         9.3073963419        3.6817212206        7.6990582746
  C         9.6230871729        2.7204163954        1.9277463340
  F         9.4967468411        1.5339433959        1.2493861434
  F         8.4024122357        3.3409587859        1.9034113580
  F        10.4693631484        3.4762592706        1.1631834498
  C        11.7809656049       -0.9604292645        5.5493795607
  C        11.2382685604       -1.8343321867        4.5896595177
  C        10.2896600044       -2.8061369884        4.9262788816
  C         9.8261520098       -2.9397798342        6.2381095554
  C        10.3410687954       -2.0707944454        7.1987662239
  C        11.2966271077       -1.1051900695        6.8608618773
  C         9.9459524058       -2.1877889539        8.6396464137
  F         9.5858779063       -0.9741123374        9.1687466132
  F         8.9076167554       -3.0503262610        8.8701927384
  F        11.0139616629       -2.6144442369        9.3929597712
  C         9.7508410447       -3.6983870349        3.8494534211
  F         8.8176261094       -4.5678540560        4.3252401013
  F        10.7196261556       -4.4526729317        3.2286579237
  F         9.1410879598       -2.9678319410        2.8539746722
  C        13.8516574892        0.6101940493        6.3529775319
  C        14.3438509111        1.9089005304        6.5637558334
  C        15.3258418722        2.1850373254        7.5249797453
  C        15.8699182353        1.1703918924        8.3089779637
  C        15.4108740890       -0.1346714186        8.0996895819
  C        14.4266503753       -0.4067551267        7.1434594000
  C        16.0229500342       -1.2295263446        8.9219785061
  F        16.0411870138       -0.8757939237       10.2618665983
  F        17.3295978645       -1.4916808151        8.5808982366
  F        15.3720882051       -2.4177396059        8.8047288503
  C        15.8739122111        3.5757066146        7.6213314506
  F        16.4770795244        3.8574623302        8.8089147413
  F        14.9137575325        4.5286727626        7.4081117398
  F        16.8298975775        3.7883014741        6.6592138891
  H        13.9405558120        1.9629305477        3.1502061596
  H        13.8439263138       -2.1856559757        4.2914731564
  H        16.1226640481       -0.9614914084        0.8589561910
  H        11.4240580697        0.9231219572        2.7778954991
  H         8.9911993168        4.2216333630        4.0918291701
  H        11.7169740896        2.3332136937        6.8315279514
  H        11.5578712067       -1.7604168167        3.5508514423
  H         9.0979862814       -3.6988975138        6.5043345364
  H        11.6700059930       -0.4465673189        7.6439346463
  H        13.9596877066        2.7327493086        5.9637530707
  H        16.6330253127        1.3884027819        9.0522153158
  H        14.1008147206       -1.4370332140        7.0104841194
  H        10.7902927838       11.7853994408        4.6737419632
  H        11.5892823916       10.0288530950        3.1226270219
     646
 i =      163, E =         0.0025859149
 Rh         3.6507094780        0.2418506545        4.8229547104
  P         5.3934968901        0.6390061243        6.2913402877
  C         5.2315074029       -0.3126656249        7.8716145340
  C         4.8458096008       -1.7884717165        7.6529801427
  C         4.5347422693       -2.4541936913        9.0038590036
  C         5.7165523436       -2.3409200431        9.9771856601
  C         6.1816362895       -0.8863325896       10.1428167523
  C         6.4577100852       -0.2042375945        8.7914390089
  C         5.6695226196        2.4066959853        6.8125128412
  C         4.6321985454        2.8270027579        7.8769935731
  C         4.6489119616        4.3351079651        8.1738481243
  C         4.5510015468        5.1685320848        6.8933039784
  C         5.6872145238        4.8045534546        5.9349640938
  C         5.6310903597        3.3162721875        5.5649075491
  C         7.0071103274        0.1000074017        5.5228379995
  C         6.9786706080        0.2363674299        3.9909743248
  P         5.3160030238       -0.2378001987        3.2967284561
  C         5.4848538225       -2.0238730092        2.7955333807
  C         4.4036634237       -2.4041053687        1.7637375665
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  F         7.3491742164       10.8246166452       -0.2361193858
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  F         2.6871441452        7.1595783618        9.5340260763
  F         1.1747516407        8.7181760168        9.3120669673
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  F         0.1939890690        5.0745313189        4.3302398417
  F         0.6518199879        6.7257425912        2.9280193057
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  C         1.8563180433       13.0323440765        5.5379175506
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  F         7.4985597223        5.8847387814        3.2980084471
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  F        11.2165561133        9.0173427501       20.2226679474
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  C        15.7605817008       12.0582938505       15.2241362423
  C        16.7003529675       13.0217619074       14.8367109877
  C        17.0860556746       13.1508179123       13.4976271930
  C        16.5061750324       12.2860813172       12.5612368763
  C        15.5689337093       11.3258673362       12.9600396307
  C        16.8421557696       12.3972436100       11.0967099183
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  F        17.2353411427       11.1907231324       10.5611714266
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  F        18.1482840310       14.8384836668       15.4057089671
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  C        11.4659628959       10.4124357383       11.8786081665
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  F        10.6240041578       12.6600109649       11.7440861610
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  H        14.1007495371       -1.4370291986        7.0104724968
  H        10.7900115769       11.7857177080        4.6721941639
  H        11.5889973045       10.0280110823        3.1224515548
     646
 i =      164, E =         0.0010918919
 Rh         3.6508479615        0.2418815604        4.8229910656
  P         5.3936069000        0.6390206199        6.2914004053
  C         5.2315439077       -0.3127834345        7.8716343465
  C         4.8459119663       -1.7886290025        7.6526628112
  C         4.5347160326       -2.4544646547        9.0035194201
  C         5.7164901287       -2.3414106969        9.9769176796
  C         6.1814372113       -0.8868104188       10.1427988091
  C         6.4576449992       -0.2044285135        8.7915964198
  C         5.6695637400        2.4067118721        6.8126168248
  C         4.6322186488        2.8271559410        7.8769755964
  C         4.6492699736        4.3351724036        8.1739512434
  C         4.5511914749        5.1686284406        6.8934017191
  C         5.6871509914        4.8045568783        5.9347827457
  C         5.6309279015        3.3162115042        5.5649205144
  C         7.0072151545        0.1001518992        5.5228580960
  C         6.9788133492        0.2364000498        3.9909736443
  P         5.3160844016       -0.2378058815        3.2967863626
  C         5.4853847046       -2.0239007665        2.7955333509
  C         4.4038659242       -2.4041374215        1.7638499916
  C         4.3886434762       -3.9083963260        1.4691377276
  C         4.2535495372       -4.7412914841        2.7459014533
  C         5.3972210473       -4.4206950218        3.7127538433
  C         5.4276183500       -2.9216937309        4.0527138089
  C         5.1175563904        0.6979369408        1.7109054014
  C         4.8318584843        2.1964552523        1.9296806622
  C         4.4299829717        2.8458383019        0.5946224778
  C         5.5111948820        2.6502958306       -0.4793356412
  C         5.8876154952        1.1692372244       -0.6461510571
  C         6.2568714956        0.5085672726        0.6952938457
  C         1.8912447121        0.3179011527        3.4714120264
  C         1.9137159273       -0.9280392777        4.1043402401
  C         1.0813971842       -0.7860039759        5.3936512920
  C         1.9529297520        0.1494630196        6.2596150371
  C         1.9296719996        1.3943862173        5.6289423687
  C         1.0435887720        1.2396751299        4.3764481924
  C         0.0002141868        0.2171536079        4.9053567721
  H         4.3779029306        0.1777654342        8.3684727613
  H         5.6742306288       -2.3221460366        7.1624276661
  H         3.9822192465       -1.8606080505        6.9744645823
  H         4.2641856510       -3.5089751434        8.8512646885
  H         3.6495742751       -1.9690733892        9.4401947502
  H         5.4377202362       -2.7602508330       10.9548404068
  H         6.5522338074       -2.9527438931        9.6102305522
  H         7.0902507616       -0.8419572676       10.7612723491
  H         5.4028065199       -0.3176186573       10.6744323168
  H         6.7441848654        0.8429964774        8.9531721008
  H         7.3143142943       -0.6885418971        8.3051876753
  H         6.6763723722        2.4625009111        7.2576523912
  H         4.8107157804        2.2740350984        8.8088067311
  H         3.6254385544        2.5411309755        7.5415127078
  H         5.5774759059        4.5971933179        8.7019369697
  H         3.8238396335        4.5733412085        8.8601154223
  H         4.5717505556        6.2391966548        7.1402729627
  H         3.5849478101        4.9892462029        6.3988752086
  H         6.6524594805        5.0360939147        6.4050819541
  H         5.6372078848        5.4037494040        5.0160730708
  H         6.4621583059        3.0652690433        4.8893695802
  H         4.7043025086        3.1136983778        5.0032530846
  H         7.8442084158        0.6644607506        5.9588182409
  H         7.1497467067       -0.9511508261        5.8109203526
  H         7.7720656445       -0.3624212602        3.5208000496
  H         7.1485739238        1.2813411344        3.6955417672
  H         6.4760608981       -2.1366253886        2.3261987648
  H         4.5616582738       -1.8518481763        0.8273774737
  H         3.4138304903       -2.1008251685        2.1297943879
  H         5.3186757760       -4.1852589515        0.9523349085
  H         3.5663039607       -4.1264229985        0.7757027320
  H         4.2382923918       -5.8106866409        2.4946917883
  H         3.2874455951       -4.5315823776        3.2289339866
  H         5.2952665734       -4.9935886755        4.6466110713
  H         6.3550147649       -4.7206127643        3.2631999169
  H         6.2858269244       -2.7081276818        4.7060150647
  H         4.5267163845       -2.6602833150        4.6309017815
  H         4.2016759719        0.2540513939        1.2855573305
  H         5.7296215067        2.6945046406        2.3252944482
  H         4.0398828537        2.3283776218        2.6830704125
  H         4.2264863158        3.9156125222        0.7423497382
  H         3.4857242824        2.3963134376        0.2521148876
  H         6.4070847491        3.2263045972       -0.2048820612
  H         5.1639046457        3.0608917962       -1.4388521092
  H         6.7287096454        1.0664060039       -1.3475313237
  H         5.0376987962        0.6254962607       -1.0890496980
  H         7.1733043582        0.9661525321        1.0892214999
  H         6.4793426326       -0.5550226260        0.5404397351
  H         2.1273100617        0.5278369708        2.4319664280
  H         2.1794924584       -1.8846999718        3.6644147314
  H         0.7616568967       -1.7190021409        5.8633855487
  H         2.2442068661       -0.0608065245        7.2846594081
  H         2.2107164234        2.3525665318        6.0562243235
  H         0.6866770354        2.1679439489        3.9233913352
  H        -0.6166038837        0.6135383476        5.7183620197
  H        -0.6337571548       -0.1941495058        4.1128407851
 Rh        14.7210429126       19.6390576705       14.9729870408
  P        12.9651147233       19.2112557773       13.5224600506
  C        13.1389389134       20.1916310799       11.9574468219
  C        13.5136438161       21.6643557795       12.2119405602
  C        13.8470575445       22.3660970206       10.8851062957
  C        12.6847223411       22.2667629640        9.8873195704
  C        12.2435763508       20.8106482970        9.6767201840
  C        11.9376066073       20.0950498880       11.0052686696
  C        12.6784741763       17.4543499694       12.9696688754
  C        13.6957394685       17.0367337244       11.8862848843
  C        13.6188335909       15.5369607470       11.5601009434
  C        13.7760341526       14.6886868362       12.8249763610
  C        12.6804383286       15.0376725737       13.8366679859
  C        12.7198482824       16.5289121776       14.2064314004
  C        11.3464683569       19.7214395841       14.3097652734
  C        11.4075517305       19.6589045340       15.8468634963
  P        13.0776590686       20.1647049676       16.5025000441
  C        12.9016142384       21.9597719214       16.9600262324
  C        13.9822109874       22.3976266065       17.9708212098
  C        13.9872833614       23.9180485598       18.1899674571
  C        14.0986100197       24.6873236856       16.8704658467
  C        12.9503802940       24.3081215838       15.9325211123
  C        12.9548981485       22.7975195228       15.6632167035
  C        13.3274668791       19.2285987722       18.0812482459
  C        13.6079808285       17.7377812320       17.8062133166
  C        14.0246318001       17.0241874033       19.1008927454
  C        12.9608915773       17.1859364391       20.1973808023
  C        12.6187982584       18.6655051031       20.4392016342
  C        12.2241770452       19.3930567162       19.1387305910
  C        16.4590656273       19.6194444885       16.3476819028
  C        16.4734264462       20.8176700083       15.6275237845
  C        17.3212896689       20.5633592195       14.3654488831
  C        16.4385773808       19.5898108191       13.5532192657
  C        16.4202172731       18.3932701009       14.2718132968
  C        17.2940623570       18.6148908873       15.5235198171
  C        18.3712699277       19.5735131230       14.9419867214
  H        14.0066905363       19.7136661128       11.4726142526
  H        12.6723946729       22.1821217893       12.6965363581
  H        14.3636139569       21.7238320576       12.9089278290
  H        14.1027984585       23.4184333170       11.0723537260
  H        14.7468841910       21.9020027176       10.4544295028
  H        12.9745948520       22.7152530417        8.9255357931
  H        11.8341057051       22.8569112298       10.2563485083
  H        11.3533931485       20.7695417456        9.0315991767
  H        13.0441824635       20.2637597706        9.1543541699
  H        11.6658293504       19.0493821596       10.8119146460
  H        11.0630691752       20.5598502678       11.4786455116
  H        11.6675045244       17.4161408970       12.5318089660
  H        13.5259417288       17.6187424642       10.9705789540
  H        14.7157419754       17.2782609992       12.2193347479
  H        12.6506129880       15.3100865451       11.0904342756
  H        14.3917788731       15.2869742598       10.8192261214
  H        13.7509372855       13.6194409991       12.5719653831
  H        14.7644205817       14.8687076965       13.2742451083
  H        11.6988914708       14.7788382710       13.4158771210
  H        12.7930727150       14.4481011735       14.7564797324
  H        11.8840284695       16.7683037038       14.8812232145
  H        13.6411813389       16.7373857354       14.7740131112
  H        10.5304896602       19.0931844014       13.9238904804
  H        11.1394750957       20.7471951190       13.9735669024
  H        10.6197242033       20.2754203534       16.3032597950
  H        11.2464144122       18.6283956823       16.1935431859
  H        11.9098478301       22.0848993364       17.4237459892
  H        13.8272373253       21.8911924663       18.9335796424
  H        14.9747883087       22.0840891832       17.6185738545
  H        13.0620471939       24.2152690552       18.7045402229
  H        14.8172045062       24.1809353128       18.8593886723
  H        14.1058570127       25.7680842980       17.0659476306
  H        15.0609563373       24.4658124185       16.3854428001
  H        13.0298030538       24.8379586138       14.9724996352
  H        11.9909426113       24.6065747739       16.3777829338
  H        12.1163428753       22.5294958585       15.0047526136
  H        13.8727199940       22.5317047372       15.1144617378
  H        14.2540218881       19.6710837914       18.4849739203
  H        12.7028669625       17.2592277505       17.4031065483
  H        14.3864713431       17.6369027791       17.0335174560
  H        14.2069947030       15.9598923194       18.8934990435
  H        14.9825320892       17.4402079183       19.4482290370
  H        12.0505089456       16.6430779402       19.9032444856
  H        13.3076266344       16.7213959523       21.1317307586
  H        11.7986936203       18.7510679292       21.1673336453
  H        13.4908740888       19.1716904177       20.8835207298
  H        11.2832881444       18.9744023355       18.7572208115
  H        12.0353063077       20.4542940057       19.3446285482
  H        16.2115099426       19.4927918309       17.3979260663
  H        16.2226777199       21.8085733352       15.9951112649
  H        17.6715288164       21.4521636934       13.8351879801
  H        16.1651234154       19.7320157391       12.5122079517
  H        16.1151072584       17.4140336902       13.9116664678
  H        17.6187466647       17.7133285931       16.0484303786
  H        18.9928319012       19.1062533081       14.1706510749
  H        19.0017237424       20.0264028088       15.7162017353
 Rh         5.9503044148       10.0592734852       14.9882366768
  P         4.1618970415        9.6070327202       13.5908038626
  C         3.8094306270        7.8514248101       13.0840518637
  C         3.7476338541        6.9334988924       14.3232960472
  C         3.6891534552        5.4470218548       13.9354946164
  C         4.8673696434        5.0679844490       13.0355552701
  C         4.8155645798        5.8941940616       11.7495995484
  C         4.8601783381        7.3987718527       12.0527828199
  C         2.5764459268       10.2031966110       14.3676667540
  C         2.6439421996       10.1072697917       15.8994058592
  P         4.3249656896       10.5997427262       16.5343559902
  C         4.1497512822       12.3780924041       17.0386569661
  C         4.0209634491       13.2602816984       15.7772644223
  C         4.0851146959       14.7613717004       16.0960633148
  C         5.3667309234       15.0894205196       16.8658198785
  C         5.4032908463       14.2954816593       18.1735593072
  C         5.3411952322       12.7841679083       17.9295835251
  C         4.5607191017        9.6575713982       18.1112351364
  C         4.8927570789        8.1772753101       17.8409008414
  C         5.1930150062        7.4486875631       19.1583062546
  C         4.0143741771        7.5648370392       20.1352307213
  C         3.3897901531        9.8057750356       19.0964820029
  C         3.6635606122        9.0366311616       20.4012950408
  C         4.3599341647       10.5631345733       12.0145922415
  C         4.7145104537       12.0398352118       12.2769349042
  C         5.0346008745       12.7612863520       10.9575972224
  C         3.8828961447       12.6367014981        9.9499788613
  C         3.4875969821       11.1703394597        9.7240984212
  C         3.1753623467       10.4469945325       11.0463859897
  C         7.7776639354       11.1880651852       15.5586845396
  C         7.5748304980        8.6930840242       14.3590169354
  C         8.4697690242        8.9406525448       15.5906654533
  C         9.5971562949        9.7943022608       14.9467791241
  C         8.6030025584       10.8077799134       14.3133421737
  C         7.7022848054       10.0423365621       16.3541411744
  C         7.6567782113        9.8409562244       13.5662668920
  H         2.8188191402        7.8519832882       12.5994030409
  H         4.6367040782        7.1079008868       14.9498221322
  H         2.8753059068        7.1931192258       14.9411939690
  H         2.7501403677        5.2326687064       13.4071320465
  H         3.6759315458        4.8435885866       14.8501760972
  H         5.8144592727        5.2485443330       13.5664005637
  H         4.8549127376        3.9950120310       12.7986457224
  H         5.6453512871        5.6372803195       11.0770050513
  H         3.8895926515        5.6545692803       11.2074707562
  H         4.7101719743        7.9612594718       11.1262810854
  H         5.8674901097        7.6566064681       12.4113278784
  H         2.4442384719       11.2473351695       14.0519893889
  H         1.7214867047        9.6386515674       13.9683687899
  H         1.8650214079       10.7194901018       16.3759855770
  H         2.4841508657        9.0697935309       16.2242665573
  H         3.2200700414       12.4663046594       17.6238581148
  H         4.8360658015       13.0074180978       15.0810288501
  H         3.0810237637       13.0294387951       15.2564095270
  H         4.0227991240       15.3290943746       15.1561446474
  H         3.2118840811       15.0556328935       16.6955848281
  H         5.4400717299       16.1641845368       17.0782449310
  H         6.2445252695       14.8439762631       16.2488589385
  H         6.3076711663       14.5290018042       18.7488744051
  H         4.5473756428       14.5953573773       18.7947166716
  H         6.2816015137       12.4571641205       17.4636459191
  H         5.2809898753       12.2619347343       18.8943884393
  H         5.4548056881       10.1186927232       18.5626377207
  H         5.7455288124        8.1083975342       17.1478589203
  H         4.0448332402        7.6879739813       17.3404536735
  H         6.0921574695        7.8898932900       19.6130311157
  H         5.4332285123        6.3947907546       18.9574518842
  H         4.2470492086        7.0547164487       21.0800869086
  H         3.1409494384        7.0493341448       19.7100874639
  H         3.2017701463       10.8648392333       19.3150806300
  H         2.4751150682        9.4126382423       18.6345579905
  H         4.4984514217        9.5165954845       20.9364227915
  H         2.7834031330        9.1091175190       21.0569911050
  H         5.2387911738       10.0908285631       11.5447236391
  H         5.5665275564       12.1040101050       12.9728600337
  H         3.8675606642       12.5408238402       12.7697161796
  H         5.2556693427       13.8192224251       11.1566819692
  H         5.9512464967       12.3307256783       10.5289468752
  H         4.1644632817       13.1051465882        8.9953988267
  H         3.0114506817       13.1943716861       10.3198860022
  H         2.6117758418       11.1064170840        9.0619377018
  H         4.3135182943       10.6454101108        9.2175768397
  H         2.2819899686       10.8912779607       11.5059478949
  H         2.9338972897        9.3962496536       10.8506837041
  H         7.5767157891       12.2130829039       15.8582310594
  H         7.2187518425        7.7106238997       14.0610335428
  H         8.7457874640        8.0537861545       16.1666642169
  H        10.2654978772       10.2514610617       15.6867048237
  H        10.1781951894        9.2409612432       14.2027252849
  H         9.0032891858       11.6424877895       13.7311253190
  H         7.4561090151        9.9975791819       17.4110853717
  H         7.3839595537        9.9334484404       12.5183222801
 Rh        12.6550923257        9.8063916821        4.6979265717
  P        14.2908850271       10.0486720130        6.1713391903
  C        14.4250336847       11.8502976048        6.6626429790
  C        14.7093485754       12.8076051177        5.4882171145
  C        14.7801311221       14.2702641570        5.9697598643
  C        13.5135871610       14.6910803435        6.7234225321
  C        13.2662733522       13.7514748691        7.9069861586
  C        13.1686509127       12.2935821938        7.4339558663
  C        15.9596136076        9.6307658802        5.4499027370
  C        15.9760263869        9.8390987522        3.9231611074
  P        14.3103184689        9.4387722725        3.2038603170
  C        14.3800042284        7.6366336622        2.7172548756
  C        14.5632213997        6.7272220818        3.9506032028
  C        14.4467321733        5.2335315488        3.6021642020
  C        13.1204123984        4.9326874159        2.8981208442
  C        13.0071548468        5.7734736266        1.6236767722
  C        13.1056293727        7.2731679332        1.9282070217
  C        14.1119887521       10.3435597670        1.6036717315
  C        13.9088840045       11.8521148086        1.8370744353
  C        13.5415954307       12.5556868905        0.5228481183
  C        14.5843338260       12.2898688501       -0.5714678477
  C        15.1764839193       10.0662371565        0.5320770928
  C        14.8167534063       10.7855836012       -0.7795547662
  C        14.1402593211        9.1618346931        7.7894553030
  C        13.7790798826        7.6733149037        7.6475686197
  C        13.4220304456        7.0941505626        9.0258304669
  C        14.5840320939        7.2540680601       10.0130326388
  C        15.0440467694        8.7159895968       10.1085774536
  C        15.3450360643        9.3327107974        8.7290007596
  C        10.4982305492        9.9384765619        3.4454497634
  C        10.8860773572        9.4427899902        6.1680870353
  C         9.6336452045       10.1785147591        5.6680459478
  C         8.8778767190        9.0188124722        4.9626757972
  C        10.1135207888        8.5788906700        4.1451984190
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  F         7.3491441002       10.8246163001       -0.2360072168
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  C         6.9949862424        8.8482739489        1.6650788374
  C         6.4461960149        7.8481523314        2.4609010824
  C         5.5476198557        8.1620995080        3.4945879350
  C         5.1596793100        9.4854274116        3.7747246216
  C         5.7352051051       10.4832432471        2.9578848090
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  F         2.6869704192        7.1596955403        9.5337363297
  F         1.1749362177        8.7179225094        9.3117712061
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  F         0.1943923058        5.0748687014        4.3301696153
  F         0.6519831988        6.7255903238        2.9283482494
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  C         5.8963214093        9.1914841560        6.9522731386
  C         6.8566139583        9.3863120149        7.9456646509
  C         7.3168276099       10.6705039660        8.2510895733
  C         6.8190341151       11.7410194159        7.4916772090
  C         5.8573513639       11.5263829485        6.4936321536
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  F         6.3558983564       14.0810700191        7.4844997710
  F         8.3398018740       13.4812078575        6.8170379105
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  F         7.4253801486        7.1002834740        7.7769005191
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  C         2.6318047605       11.2896489367        3.5285198997
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  C         1.8561899474       13.0324553220        5.5377719507
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  F         1.8933426825       13.1555929823        1.0974354077
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  F         7.4983951748        5.8849251758        3.2978345645
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  F        11.2165402364        9.0173380973       20.2227126012
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  C        11.8889256132       12.0128619010       17.3109200487
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  C        12.7607773787        9.4011868162       16.9796735368
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  C        15.7605442902       12.0583143540       15.2241861453
  C        16.7003368480       13.0217828456       14.8368216271
  C        17.0860230025       13.1507440556       13.4975123952
  C        16.5062381798       12.2861221575       12.5611505509
  C        15.5689746384       11.3258790738       12.9601209740
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  F        15.7543556861       12.8160232452       10.3459433560
  F        17.2353987972       11.1905979231       10.5610395074
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  F        18.1482109584       14.8384231426       15.4057348385
  F        17.8385687006       13.2541712905       16.9333921815
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  C        11.4660069647       10.4124989211       11.8786362170
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  F        11.9227685269        5.6913870843       12.4654682167
  F        10.0059771379        6.4973848442       13.1315680115
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  F        10.6241378029       12.6596620152       11.7439631534
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  C        16.8097904350        7.5593315158       16.4632941771
  C        17.1184726852        6.6719383913       15.4294376572
  C        16.4813526785        6.8322540418       14.2066031202
  C        15.5544742324        7.8622875535       14.0138471628
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  F        10.7196480844       -4.4526908570        3.2286387647
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  C        14.3438380283        1.9090674977        6.5635857931
  C        15.3258594295        2.1849936815        7.5249058674
  C        15.8700023243        1.1703873531        8.3088812172
  C        15.4107749420       -0.1346714433        8.0994910899
  C        14.4266680508       -0.4069759166        7.1434921678
  C        16.0229575546       -1.2295667160        8.9219900465
  F        16.0411887822       -0.8757953345       10.2618302837
  F        17.3295949369       -1.4916763068        8.5808913981
  F        15.3720973794       -2.4177130888        8.8047157666
  C        15.8739407693        3.5757026711        7.6213091136
  F        16.4770776067        3.8574457839        8.8089016743
  F        14.9137259153        4.5286926876        7.4080877178
  F        16.8299184594        3.7883018933        6.6591919682
  H        13.9402929049        1.9629239337        3.1499580833
  H        13.8434400325       -2.1857793050        4.2911361449
  H        16.1231068917       -0.9614041788        0.8593363666
  H        11.4241498511        0.9232506330        2.7776912216
  H         8.9911601462        4.2216305813        4.0918307679
  H        11.7170220378        2.3332980854        6.8315806723
  H        11.5573542789       -1.7599568521        3.5506888727
  H         9.0982981578       -3.6991607256        6.5044144070
  H        11.6698453087       -0.4464167654        7.6438401962
  H        13.9597565428        2.7326732066        5.9636843666
  H        16.6331360984        1.3883525871        9.0519858130
  H        14.1007230258       -1.4369016330        7.0104686655
  H        10.7896753313       11.7859354762        4.6707614179
  H        11.5887473846       10.0272458171        3.1222940046
     646
 i =      165, E =         0.0031143025
 Rh         3.6510456229        0.2419260061        4.8230438429
  P         5.3937731433        0.6390490591        6.2915072231
  C         5.2316013519       -0.3129844296        7.8716254090
  C         4.8461469759       -1.7888486933        7.6522485143
  C         4.5346957573       -2.4549580531        9.0029499996
  C         5.7163597504       -2.3421292086        9.9765040396
  C         6.1812458342       -0.8875692408       10.1427984464
  C         6.4575133457       -0.2047009746        8.7918441521
  C         5.6695812760        2.4067431327        6.8127453754
  C         4.6321982584        2.8273434805        7.8769674594
  C         4.6499822293        4.3353012924        8.1740842842
  C         4.5514837171        5.1687873639        6.8935735249
  C         5.6869107205        4.8045738570        5.9343857117
  C         5.6309158336        3.3161150354        5.5649462989
  C         7.0073999998        0.1003729239        5.5228833636
  C         6.9789605084        0.2365958271        3.9909867211
  P         5.3162475349       -0.2378467949        3.2968628443
  C         5.4859143554       -2.0239204949        2.7956526518
  C         4.4044691472       -2.4042286667        1.7638629888
  C         4.3888537972       -3.9086126208        1.4695056461
  C         4.2538267653       -4.7412653198        2.7464821934
  C         5.3977910412       -4.4206615842        3.7130393015
  C         5.4281707480       -2.9216061132        4.0529373015
  C         5.1173071319        0.6977713412        1.7109546944
  C         4.8314528541        2.1962422382        1.9298427518
  C         4.4300333411        2.8459640745        0.5948565879
  C         5.5115589263        2.6506168688       -0.4787372296
  C         5.8874079954        1.1695309011       -0.6460718515
  C         6.2564609425        0.5083428997        0.6951638671
  C         1.8914578976        0.3179049896        3.4714123066
  C         1.9138108559       -0.9279039999        4.1046078870
  C         1.0815197581       -0.7854490823        5.3938516329
  C         1.9531455269        0.1501084351        6.2596470862
  C         1.9300294106        1.3948758949        5.6286594102
  C         1.0439299565        1.2399189121        4.3762221980
  C         0.0004390385        0.2176936371        4.9053937569
  H         4.3778174140        0.1773685220        8.3683763568
  H         5.6746993595       -2.3221903920        7.1621996130
  H         3.9826990192       -1.8607952046        6.9738407563
  H         4.2641676405       -3.5094196161        8.8504091906
  H         3.6495171110       -1.9696300857        9.4395740673
  H         5.4375161065       -2.7612414197       10.9542849546
  H         6.5521558787       -2.9533839189        9.6097165018
  H         7.0900578733       -0.8428767318       10.7613307099
  H         5.4025871498       -0.3185845534       10.6746132008
  H         6.7437930028        0.8427438951        8.9538048875
  H         7.3143810119       -0.6884623920        8.3054184007
  H         6.6763529723        2.4626017269        7.2579048698
  H         4.8101732971        2.2739447153        8.8087321631
  H         3.6253250433        2.5419146324        7.5411945067
  H         5.5786644463        4.5969007315        8.7015218516
  H         3.8250964967        4.5738080936        8.8607374375
  H         4.5723479427        6.2393372542        7.1404154499
  H         3.5849311952        4.9895560859        6.3995792242
  H         6.6524484432        5.0365971824        6.4039278084
  H         5.6361493564        5.4034045063        5.0154554291
  H         6.4623025029        3.0651857167        4.8895057619
  H         4.7044296524        3.1132865347        5.0032192786
  H         7.8443560840        0.6648216936        5.9588157617
  H         7.1501092010       -0.9508798060        5.8109501375
  H         7.7722438028       -0.3621110372        3.5208381081
  H         7.1485945925        1.2815804275        3.6955359527
  H         6.4765969532       -2.1365087397        2.3264708182
  H         4.5626739135       -1.8523114818        0.8272926689
  H         3.4144559205       -2.1005395895        2.1294889337
  H         5.3187603255       -4.1858069234        0.9526583656
  H         3.5663994212       -4.1265792267        0.7762842862
  H         4.2382558493       -5.8106036494        2.4955176590
  H         3.2878905279       -4.5311545301        3.2297225626
  H         5.2961760079       -4.9935045999        4.6468695855
  H         6.3554526022       -4.7204840532        3.2631405180
  H         6.2863316290       -2.7079717021        4.7061723281
  H         4.5272433522       -2.6602545009        4.6310702572
  H         4.2013980514        0.2537703833        1.2858118632
  H         5.7290131520        2.6942986003        2.3259229276
  H         4.0391954090        2.3279034769        2.6830206166
  H         4.2264703898        3.9157167573        0.7428324259
  H         3.4858369426        2.3965642568        0.2518669212
  H         6.4075938161        3.2261395245       -0.2035819663
  H         5.1648880195        3.0618984239       -1.4382308704
  H         6.7284529093        1.0665267586       -1.3475105959
  H         5.0372455831        0.6262712302       -1.0891262938
  H         7.1731330153        0.9654190445        1.0891291135
  H         6.4784585100       -0.5553037018        0.5400146602
  H         2.1275637978        0.5275885206        2.4319019521
  H         2.1795293065       -1.8846760869        3.6648638420
  H         0.7616786224       -1.7183464350        5.8638682840
  H         2.2443854194       -0.0599306284        7.2847569589
  H         2.2112119971        2.3531480406        6.0556745450
  H         0.6871010249        2.1682052109        3.9229347900
  H        -0.6162889499        0.6143575657        5.7183435083
  H        -0.6336407055       -0.1937045117        4.1130063025
 Rh        14.7211492164       19.6391716481       14.9728884117
  P        12.9654300960       19.2114017172       13.5223184028
  C        13.1392148936       20.1916927625       11.9572584131
  C        13.5139241301       21.6644158041       12.2118939360
  C        13.8470356672       22.3663148093       10.8850714028
  C        12.6845486730       22.2670830460        9.8874907478
  C        12.2433230713       20.8110194031        9.6768041790
  C        11.9376766509       20.0952101847       11.0053093698
  C        12.6789150574       17.4543622076       12.9698103792
  C        13.6963149869       17.0367362698       11.8865499440
  C        13.6191952685       15.5369874990       11.5601319803
  C        13.7758396393       14.6883885328       12.8248937390
  C        12.6803832829       15.0377422264       13.8366422747
  C        12.7204593016       16.5289431363       14.2065803478
  C        11.3468061186       19.7219247435       14.3093604670
  C        11.4075864682       19.6586123206       15.8464165771
  P        13.0775706094       20.1645972028       16.5022684863
  C        12.9011459378       21.9595538351       16.9601462496
  C        13.9820889382       22.3970497190       17.9707318120
  C        13.9872597044       23.9173196942       18.1904299181
  C        14.0988832668       24.6868382771       16.8711299105
  C        12.9503858250       24.3083456984       15.9331981347
  C        12.9538594405       22.7977708517       15.6635982836
  C        13.3273850705       19.2285805126       18.0810617170
  C        13.6080688318       17.7377675716       17.8062282135
  C        14.0243335998       17.0242353857       19.1010610991
  C        12.9602917025       17.1861186617       20.1972509729
  C        12.6185590412       18.6657815985       20.4390184312
  C        12.2240753098       19.3931833251       19.1384668687
  C        16.4593701519       19.6192599029       16.3475122221
  C        16.4736780155       20.8175714751       15.6275048208
  C        17.3213325094       20.5635841639       14.3652448550
  C        16.4385088296       19.5901272628       13.5530554314
  C        16.4202083143       18.3934200368       14.2713905159
  C        17.2942396123       18.6149130063       15.5229660463
  C        18.3713642948       19.5735254929       14.9414675583
  H        14.0068654400       19.7137982576       11.4722760115
  H        12.6727267025       22.1820977675       12.6967075779
  H        14.3639794583       21.7238312445       12.9087174793
  H        14.1027787439       23.4186690342       11.0724235645
  H        14.7468282306       21.9023357681       10.4541884676
  H        12.9742418900       22.7156740944        8.9256986892
  H        11.8339962270       22.8572329310       10.2567359032
  H        11.3529368151       20.7700365978        9.0319149217
  H        13.0437586052       20.2641891331        9.1541154121
  H        11.6659169921       19.0495398419       10.8118718773
  H        11.0632248431       20.5598973361       11.4789406608
  H        11.6679546078       17.4159644296       12.5319608111
  H        13.5268056764       17.6188526357       10.9708858034
  H        14.7162519468       17.2780435866       12.2198574349
  H        12.6511006667       15.3104199833       11.0901124087
  H        14.3923479371       15.2869756440       10.8195014847
  H        13.7500962066       13.6192301274       12.5716032371
  H        14.7642719903       14.8677064178       13.2742626893
  H        11.6987004479       14.7794626542       13.4158138585
  H        12.7927391949       14.4479847716       14.7563350437
  H        11.8850119240       16.7685179371       14.8817181862
  H        13.6421048402       16.7370758407       14.7737879750
  H        10.5304908194       19.0945019116       13.9228960817
  H        11.1406561690       20.7480774516       13.9737051832
  H        10.6195398125       20.2746392240       16.3030153159
  H        11.2467061834       18.6278235647       16.1925203169
  H        11.9095697672       22.0843527838       17.4243241451
  H        13.8275478586       21.8901508207       18.9332934750
  H        14.9745692336       22.0837009919       17.6179113210
  H        13.0618836719       24.2144532583       18.7049074268
  H        14.8170268726       24.1799303583       18.8601218394
  H        14.1067176499       25.7675363782       17.0667407851
  H        15.0611438960       24.4648523938       16.3860519005
  H        13.0301518229       24.8382252887       14.9731959813
  H        11.9912083970       24.6074491502       16.3785141352
  H        12.1144485282       22.5304706326       15.0058056516
  H        13.8709639498       22.5315589459       15.1139140356
  H        14.2539379219       19.6711742295       18.4847532375
  H        12.7031979985       17.2591178387       17.4027608677
  H        14.3869131507       17.6369445924       17.0338057289
  H        14.2066930870       15.9599192116       18.8937734439
  H        14.9821357853       17.4402202442       19.4486824405
  H        12.0498368005       16.6435862055       19.9027600438
  H        13.3065983410       16.7213909901       21.1316465131
  H        11.7985417302       18.7516311609       21.1671879408
  H        13.4908114869       19.1717910442       20.8832145139
  H        11.2831672806       18.9745640432       18.7569546255
  H        12.0352449756       20.4544953157       19.3442224116
  H        16.2118913191       19.4923941480       17.3976919484
  H        16.2229448166       21.8084745320       15.9953279312
  H        17.6714714263       21.4523786591       13.8351518977
  H        16.1649307566       19.7325036015       12.5120153841
  H        16.1150967808       17.4142913357       13.9111265545
  H        17.6190229852       17.7131391765       16.0477237957
  H        18.9927384282       19.1063819753       14.1698880393
  H        19.0020437956       20.0262620625       15.7156071221
 Rh         5.9500751128       10.0592310216       14.9883054060
  P         4.1618939155        9.6073406414       13.5905438927
  C         3.8099935800        7.8516018007       13.0840241060
  C         3.7485782737        6.9339091602       14.3233990932
  C         3.6897154801        5.4474532069       13.9358354732
  C         4.8674747596        5.0680127177       13.0355876845
  C         4.8158555799        5.8943190515       11.7496959480
  C         4.8608186470        7.3988514968       12.0529660064
  C         2.5762980026       10.2031209784       14.3674413479
  C         2.6436850125       10.1071990086       15.8991896236
  P         4.3246790999       10.5994950754       16.5343822919
  C         4.1497773986       12.3779042238       17.0385227856
  C         4.0213404149       13.2599581962       15.7770123812
  C         4.0852491144       14.7610777216       16.0957293158
  C         5.3665328433       15.0894166520       16.8659285631
  C         5.4029884102       14.2953030960       18.1736393356
  C         5.3412022783       12.7839883711       17.9294224444
  C         4.5603384931        9.6572295695       18.1112517145
  C         4.8918192962        8.1768326619       17.8409065056
  C         5.1922590609        7.4481579045       19.1581601151
  C         4.0140858481        7.5646956377       20.1355538960
  C         3.3897685098        9.8058252495       19.0969056147
  C         3.6637707907        9.0366068680       20.4016669701
  C         4.3598931268       10.5635166385       12.0143141814
  C         4.7148602604       12.0401146244       12.2765432425
  C         5.0352264634       12.7613245265       10.9571564371
  C         3.8832627571       12.6373229822        9.9497387397
  C         3.4873847060       11.1710771878        9.7238369566
  C         3.1752266460       10.4476767776       11.0461699415
  C         7.7772080973       11.1881460750       15.5589329974
  C         7.5747698524        8.6931747409       14.3591427830
  C         8.4696267789        8.9407569088       15.5908849324
  C         9.5969522499        9.7946599966       14.9470577894
  C         8.6026974021       10.8080784226       14.3135701598
  C         7.7019149189       10.0423533855       16.3543532303
  C         7.6566052840        9.8411057824       13.5664213718
  H         2.8193071980        7.8516918057       12.5993138017
  H         4.6380442811        7.1083834017       14.9494501183
  H         2.8766419835        7.1937643459       14.9417769532
  H         2.7504026506        5.2331807268       13.4079988200
  H         3.6767741259        4.8441124203       14.8507217938
  H         5.8147871630        5.2478914271       13.5661869026
  H         4.8543671682        3.9949763684       12.7984865516
  H         5.6455974405        5.6372029852       11.0770761308
  H         3.8898302392        5.6549999139       11.2075232406
  H         4.7112138958        7.9614775835       11.1264398281
  H         5.8681173455        7.6564337161       12.4118065160
  H         2.4437916536       11.2472284204       14.0517534226
  H         1.7214770303        9.6383531318       13.9680875760
  H         1.8647363844       10.7194263472       16.3757080162
  H         2.4837851423        9.0697091601       16.2240439242
  H         3.2200350601       12.4664123256       17.6236590029
  H         4.8367871730       13.0070406855       15.0811323315
  H         3.0816731888       13.0290060844       15.2557680453
  H         4.0233085129       15.3287050395       15.1556755728
  H         3.2117486255       15.0552927506       16.6947879649
  H         5.4393969099       16.1641500879       17.0785716514
  H         6.2445994839       14.8443865501       16.2492450096
  H         6.3072492547       14.5289295895       18.7490534650
  H         4.5469492105       14.5949127789       18.7946803706
  H         6.2816224102       12.4572872380       17.4632597233
  H         5.2812978816       12.2615758523       18.8941293280
  H         5.4547038916       10.1180581751       18.5624445810
  H         5.7443293190        8.1076469159       17.1475277248
  H         4.0435378286        7.6877799265       17.3407345669
  H         6.0917936152        7.8889704176       19.6125622484
  H         5.4320203376        6.3941169411       18.9572058721
  H         4.2470275641        7.0546062772       21.0803721410
  H         3.1403378656        7.0493454334       19.7108598394
  H         3.2022061992       10.8649420288       19.3155873476
  H         2.4747961444        9.4130128108       18.6352962492
  H         4.4989435279        9.5163295929       20.9364825269
  H         2.7838535341        9.1093512907       21.0576313981
  H         5.2386437059       10.0910015014       11.5443304074
  H         5.5668714594       12.1041503428       12.9725357958
  H         3.8680134591       12.5414099462       12.7692285277
  H         5.2570068620       13.8191260261       11.1560823850
  H         5.9515441195       12.3301209660       10.5283896904
  H         4.1649193641       13.1056322245        8.9950904612
  H         3.0122006370       13.1953680668       10.3197757779
  H         2.6113211884       11.1075827578        9.0619593006
  H         4.3129228023       10.6459620177        9.2170248209
  H         2.2819897086       10.8920453607       11.5058571832
  H         2.9335773441        9.3969748195       10.8503593320
  H         7.5761122346       12.2131152210       15.8584717505
  H         7.2188121225        7.7107091353       14.0611467137
  H         8.7457029356        8.0539954548       16.1667984765
  H        10.2651178928       10.2518958651       15.6870712201
  H        10.1781100793        9.2414528112       14.2030202283
  H         9.0028396403       11.6428014251       13.7314675690
  H         7.4556556336        9.9974983185       17.4112321503
  H         7.3838420755        9.9335810127       12.5184649582
 Rh        12.6549049383        9.8063910136        4.6979289559
  P        14.2906380489       10.0484312987        6.1713969132
  C        14.4247630750       11.8500040555        6.6626379273
  C        14.7091709273       12.8070646558        5.4880403860
  C        14.7803598445       14.2697255374        5.9695518670
  C        13.5137128995       14.6908955757        6.7228867655
  C        13.2656827045       13.7514036565        7.9064055232
  C        13.1681387085       12.2934000620        7.4335456550
  C        15.9594007047        9.6305378646        5.4500140520
  C        15.9760138964        9.8386363713        3.9232108079
  P        14.3102232892        9.4387953234        3.2037701496
  C        14.3798838832        7.6367136000        2.7172324022
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  F         7.3491419929       10.8246067294       -0.2360030032
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  C         6.9948149828        8.8482149955        1.6649645430
  C         6.4461588209        7.8482506164        2.4609753738
  C         5.5477962823        8.1621286850        3.4947855561
  C         5.1598268634        9.4854235663        3.7748426269
  C         5.7353237096       10.4833491177        2.9579828080
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  C         2.5880017489        7.8531834717        4.6587545133
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  C         1.5835448139        7.5071335952        8.7957845470
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  F         2.6869475680        7.1597057540        9.5336972237
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  F         0.1944861515        5.0749447433        4.3301477514
  F         0.6520265908        6.7255357645        2.9284434155
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  C         5.8961106699        9.1914611727        6.9524740984
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  C         5.8574281769       11.5264346323        6.4936682302
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  F         7.4253832856        7.1003042624        7.7769155641
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  C         1.1058372594       12.3796890267        1.9157033468
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  F        11.2165280514        9.0173343891       20.2227379070
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  C        13.2419629266       10.3736116740       16.0773514562
  C        12.7606961933        9.4010689328       16.9796525914
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  C        15.7604971306       12.0583403402       15.2241921004
  C        16.7002997581       13.0217571795       14.8368177633
  C        17.0860169236       13.1507125663       13.4974867979
  C        16.5062503059       12.2861103222       12.5611565064
  C        15.5689909451       11.3258247091       12.9601355883
  C        16.8418889187       12.3970801358       11.0970243328
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  F        15.7543436272       12.8160310680       10.3459259967
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  F        18.1481654039       14.8383808713       15.4057406072
  F        17.8385520718       13.2541753306       16.9333711693
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  C        12.5716209657        8.3421535260       13.3568728747
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  C        17.4838611984        7.2670413970       17.7696804624
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  F        16.7934815890        6.3144717214       18.4806649128
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  F         1.9926964364       23.2934357342       16.4318301735
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  C         8.6470723825       16.4203883485       15.4704973199
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  C         7.0820047354       17.5228375716       13.9692126507
  C         8.4237321162       15.5964306115       13.1146789251
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  F         7.9538969695       16.3792721695       18.6304300218
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  F         7.6876539006       24.3576975393       16.5044143459
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  C         3.9794247279       20.2949531496       12.6790796446
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  F         3.0365277034       22.3174192040       10.9980464307
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  F         3.4285723386       15.3140195502       12.3964269672
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  C        15.4659714006       -0.7126646501        1.6880190247
  C        15.4678811704       -3.1196000208        2.3835261692
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  F        14.4476778988       -4.0413891734        2.4963843948
  F        16.4090725211       -3.4512306200        3.3542978890
  B        12.7851498101        0.2716196761        5.1562185363
  C        11.7367741242        1.4852705743        4.8438988729
  C        11.1273490516        1.5983253643        3.5796908288
  C        10.1463713742        2.5576572666        3.3185971179
  C         9.7314275584        3.4570431350        4.3052659398
  C        10.3176575173        3.3538482491        5.5642672033
  C        11.2917801393        2.3810088134        5.8298449860
  C         9.9536981760        4.3113070232        6.6595911876
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  F         9.1361114014        5.3320784123        6.2381097608
  F         9.3075154042        3.6817654465        7.6988786581
  C         9.6230362375        2.7204709110        1.9276591160
  F         9.4967518690        1.5339848976        1.2494216140
  F         8.4023865549        3.3409723656        1.9034051617
  F        10.4693579884        3.4762790984        1.1631661506
  C        11.7806573744       -0.9601219637        5.5492389659
  C        11.2377545132       -1.8339421455        4.5894763784
  C        10.2895609667       -2.8060344719        4.9262220879
  C         9.8263876323       -2.9399147961        6.2381232944
  C        10.3410714092       -2.0707812447        7.1987989321
  C        11.2964423073       -1.1049628961        6.8608244090
  C         9.9460023500       -2.1877977768        8.6395617709
  F         9.5858638891       -0.9740521820        9.1687797476
  F         8.9076127144       -3.0503420693        8.8701959711
  F        11.0139930100       -2.6144520176        9.3929841586
  C         9.7508352227       -3.6983057022        3.8494781200
  F         8.8175887009       -4.5678913595        4.3252599752
  F        10.7196600749       -4.4526963574        3.2286395041
  F         9.1410668467       -2.9678163143        2.8539324619
  C        13.8515867411        0.6102378321        6.3527222741
  C        14.3438360859        1.9089983014        6.5635200278
  C        15.3258795695        2.1849879372        7.5248578658
  C        15.8700065454        1.1703982137        8.3087532866
  C        15.4107733980       -0.1347163068        8.0994334421
  C        14.4266374752       -0.4069396148        7.1434324005
  C        16.0229618452       -1.2295633501        8.9219653531
  F        16.0411817348       -0.8757885960       10.2618176816
  F        17.3295856100       -1.4916675857        8.5808906009
  F        15.3720872865       -2.4177293451        8.8047104356
  C        15.8739822103        3.5756324692        7.6213038170
  F        16.4770668885        3.8574528803        8.8088870615
  F        14.9136750383        4.5287674623        7.4080670375
  F        16.8299358937        3.7883199234        6.6591761771
  H        13.9401209283        1.9628686611        3.1497772000
  H        13.8431071249       -2.1858403233        4.2908765636
  H        16.1234632206       -0.9613603814        0.8595518591
  H        11.4241905099        0.9234134342        2.7776477927
  H         8.9910936835        4.2216676950        4.0918265633
  H        11.7170159391        2.3333554940        6.8315058752
  H        11.5569735681       -1.7596377398        3.5506069323
  H         9.0985068782       -3.6993639906        6.5044737483
  H        11.6697371424       -0.4462971997        7.6437905916
  H        13.9597770006        2.7326855022        5.9635913999
  H        16.6332361324        1.3883188058        9.0518526852
  H        14.1006352121       -1.4369048145        7.0104501609
  H        10.7892450856       11.7863338173        4.6685943502
  H        11.5883602767       10.0260697990        3.1220540568
     646
 i =      166, E =         0.0002204404
 Rh         3.6511109720        0.2419411183        4.8230669745
  P         5.3938242776        0.6390612495        6.2915561718
  C         5.2316280584       -0.3130837332        7.8715831872
  C         4.8463177347       -1.7889131160        7.6521821465
  C         4.5347091680       -2.4551814140        9.0026900826
  C         5.7163047201       -2.3423990420        9.9763341568
  C         6.1812532444       -0.8878587719       10.1428295437
  C         6.4574508944       -0.2047900616        8.7919326581
  C         5.6695760702        2.4067618089        6.8127818725
  C         4.6321416370        2.8273778406        7.8769730795
  C         4.6503813466        4.3353742368        8.1741170143
  C         4.5515799199        5.1688309625        6.8936537760
  C         5.6867312953        4.8045948374        5.9341556657
  C         5.6310886556        3.3160677829        5.5649488894
  C         7.0075028585        0.1004781676        5.5228973333
  C         6.9789469082        0.2367884652        3.9910073708
  P         5.3163377387       -0.2378870068        3.2968818726
  C         5.4858934691       -2.0239129875        2.7957895507
  C         4.4048736237       -2.4043377934        1.7638089215
  C         4.3888482157       -3.9086575260        1.4697385967
  C         4.2539927031       -4.7411260571        2.7466998662
  C         5.3979206874       -4.4205887305        3.7131130476
  C         5.4284531908       -2.9216283048        4.0529140798
  C         5.1172532333        0.6977394641        1.7109732556
  C         4.8312687675        2.1961534276        1.9299465370
  C         4.4299787421        2.8460103374        0.5949412971
  C         5.5117306558        2.6508161457       -0.4785958451
  C         5.8873253753        1.1695975249       -0.6460516125
  C         6.2562976781        0.5082161221        0.6951116570
  C         1.8915459204        0.3178937794        3.4714008678
  C         1.9138265058       -0.9278372932        4.1047368045
  C         1.0816198087       -0.7851326476        5.3938832661
  C         1.9531960335        0.1503314857        6.2596130387
  C         1.9301673219        1.3950519051        5.6285681632
  C         1.0440537392        1.2400097060        4.3761479639
  C         0.0005174116        0.2178924022        4.9054535034
  H         4.3777748161        0.1772342804        8.3683484153
  H         5.6748538116       -2.3221992097        7.1621145944
  H         3.9828142791       -1.8608651060        6.9735660189
  H         4.2641646692       -3.5095603061        8.8500990129
  H         3.6494705941       -1.9698246369        9.4393582864
  H         5.4374411959       -2.7616061014       10.9540803885
  H         6.5521178404       -2.9536098284        9.6095302465
  H         7.0899453026       -0.8432158119       10.7613257283
  H         5.4024853214       -0.3189277306       10.6746857721
  H         6.7436492245        0.8426442764        8.9540369873
  H         7.3144086777       -0.6884380824        8.3055021654
  H         6.6763539898        2.4626418665        7.2579874935
  H         4.8099838982        2.2739199412        8.8086999141
  H         3.6253183391        2.5422036489        7.5410902650
  H         5.5790435041        4.5967818985        8.7013415259
  H         3.8255105398        4.5739870493        8.8609995035
  H         4.5725653870        6.2393979214        7.1404672754
  H         3.5849358138        4.9896741145        6.3998305547
  H         6.6525042036        5.0367842558        6.4035343434
  H         5.6357711564        5.4032569193        5.0152720934
  H         6.4622861465        3.0651718646        4.8895974672
  H         4.7044031848        3.1131301468        5.0031742453
  H         7.8443903179        0.6649420327        5.9588024641
  H         7.1502449095       -0.9507967522        5.8109680008
  H         7.7723661572       -0.3620414435        3.5208190314
  H         7.1485964199        1.2816137106        3.6955480980
  H         6.4769097350       -2.1364855077        2.3265069670
  H         4.5630245428       -1.8524819288        0.8272736642
  H         3.4145842479       -2.1004099054        2.1294267664
  H         5.3188490103       -4.1860165846        0.9527458475
  H         3.5664290477       -4.1266469936        0.7764804245
  H         4.2382379872       -5.8106683546        2.4958031150
  H         3.2880423515       -4.5310027882        3.2300140668
  H         5.2965108850       -4.9935011911        4.6470037763
  H         6.3556502868       -4.7204494468        3.2631098474
  H         6.2865323833       -2.7079101127        4.7062473022
  H         4.5273856554       -2.6602227521        4.6311649780
  H         4.2012804357        0.2536591656        1.2858911480
  H         5.7288088636        2.6942257478        2.3261548251
  H         4.0389724329        2.3277299610        2.6829809101
  H         4.2264772018        3.9157458805        0.7430076589
  H         3.4859169789        2.3966676224        0.2517913185
  H         6.4077555483        3.2260626207       -0.2031122648
  H         5.1652604566        3.0622439898       -1.4379538915
  H         6.7283597383        1.0665810003       -1.3474991340
  H         5.0370949835        0.6265628519       -1.0891462850
  H         7.1730894495        0.9651661663        1.0891053986
  H         6.4781393096       -0.5553802328        0.5398592812
  H         2.1276581351        0.5274951007        2.4318769034
  H         2.1795490433       -1.8846865730        3.6650171909
  H         0.7616620720       -1.7181648584        5.8640720243
  H         2.2444559429       -0.0596091255        7.2848068945
  H         2.2113922649        2.3533545710        6.0554661180
  H         0.6872577604        2.1682991900        3.9227636875
  H        -0.6161607256        0.6146524656        5.7183138036
  H        -0.6336118727       -0.1935474959        4.1130452928
 Rh        14.7212046072       19.6392229634       14.9728473987
  P        12.9655239705       19.2114306467       13.5222470327
  C        13.1392739951       20.1917521579       11.9572315624
  C        13.5139407662       21.6644227765       12.2118308781
  C        13.8470793145       22.3664675214       10.8850823439
  C        12.6844487309       22.2672076913        9.8875712222
  C        12.2431565593       20.8111664302        9.6768109714
  C        11.9377571472       20.0952223495       11.0053062044
  C        12.6790810604       17.4543752973       12.9698615880
  C        13.6965070788       17.0366825463       11.8866743886
  C        13.6193272013       15.5370142917       11.5601756248
  C        13.7757760221       14.6883406809       12.8248807317
  C        12.6802963786       15.0377952989       13.8365384878
  C        12.7207894918       16.5289343248       14.2066151437
  C        11.3469554175       19.7222299610       14.3092004823
  C        11.4076522501       19.6583599661       15.8462506679
  P        13.0775016578       20.1645685662       16.5022015242
  C        12.9010831713       21.9594692399       16.9601729264
  C        13.9820768549       22.3968010943       17.9706831733
  C        13.9871516302       23.9170856800       18.1906344940
  C        14.0989970628       24.6866357523       16.8713546407
  C        12.9505372631       24.3084369941       15.9333520185
  C        12.9532004675       22.7978483093       15.6637227105
  C        13.3274030269       19.2285728902       18.0810109710
  C        13.6081785134       17.7377613722       17.8061794514
  C        14.0242275409       17.0242883083       19.1011541193
  C        12.9600169215       17.1861746899       20.1971593931
  C        12.6186047392       18.6658885243       20.4389440287
  C        12.2239621569       19.3932717513       19.1383616744
  C        16.4594155926       19.6192012687       16.3476813780
  C        16.4738477509       20.8173470401       15.6273873993
  C        17.3212980675       20.5636811133       14.3651179660
  C        16.4386135594       19.5902602388       13.5533379912
  C        16.4200668369       18.3931558053       14.2710444491
  C        17.2943511661       18.6149745760       15.5227423108
  C        18.3714335042       19.5735680278       14.9413395293
  H        14.0069639643       19.7138245056       11.4721290502
  H        12.6728738504       22.1820756727       12.6967620787
  H        14.3641695268       21.7238342919       12.9086744330
  H        14.1027621917       23.4187064727       11.0724364921
  H        14.7468102245       21.9024532272       10.4540950617
  H        12.9741204880       22.7158336813        8.9257501311
  H        11.8339780008       22.8573339288       10.2568714392
  H        11.3528112059       20.7702193962        9.0320536381
  H        13.0436275149       20.2643326099        9.1540194504
  H        11.6659555534       19.0496198013       10.8118580466
  H        11.0632593166       20.5599312800       11.4790623399
  H        11.6681270578       17.4159058068       12.5320124430
  H        13.5271208588       17.6189089612       10.9709716439
  H        14.7164549981       17.2779665294       12.2200480279
  H        12.6512726245       15.3105401104       11.0899877807
  H        14.3925673152       15.2869675646       10.8195878981
  H        13.7497891547       13.6191152304       12.5714637435
  H        14.7642131529       14.8673345721       13.2742601563
  H        11.6986776827       14.7796980233       13.4158137623
  H        12.7926261306       14.4479121984       14.7563321364
  H        11.8853311361       16.7686092577       14.8819262352
  H        13.6424058751       16.7369597792       14.7736864169
  H        10.5304669981       19.0949461117       13.9225209806
  H        11.1411004217       20.7483235264       13.9737703692
  H        10.6194310555       20.2743952475       16.3029500167
  H        11.2468272961       18.6276891642       16.1921320045
  H        11.9094200556       22.0841592085       17.4245487799
  H        13.8276577063       21.8897721369       18.9332021063
  H        14.9744636757       22.0835567845       17.6176827166
  H        13.0618873558       24.2141408847       18.7050184458
  H        14.8169974402       24.1795671933       18.8604069904
  H        14.1070348530       25.7673566192       17.0670422054
  H        15.0611941436       24.4645048358       16.3862727095
  H        13.0302641597       24.8382989508       14.9735082951
  H        11.9912219533       24.6077777042       16.3788293579
  H        12.1138706648       22.5308553672       15.0062649274
  H        13.8704337366       22.5314881626       15.1136691035
  H        14.2538862997       19.6711903920       18.4846621270
  H        12.7032919960       17.2590648564       17.4026299792
  H        14.3870278078       17.6369607130       17.0339512580
  H        14.2065842163       15.9599073749       18.8938696677
  H        14.9819806838       17.4402160095       19.4488382041
  H        12.0496199580       16.6437792587       19.9025967322
  H        13.3062360139       16.7213782104       21.1316450520
  H        11.7984341738       18.7518380278       21.1671668058
  H        13.4907378943       19.1718044336       20.8830871507
  H        11.2831461005       18.9746314852       18.7568623724
  H        12.0352308431       20.4545340893       19.3440687552
  H        16.2120660097       19.4922586346       17.3974656622
  H        16.2230093316       21.8085701032       15.9954635677
  H        17.6714682221       21.4524672817       13.8351373569
  H        16.1648073936       19.7327008840       12.5117330164
  H        16.1151679334       17.4146093738       13.9110204268
  H        17.6191172447       17.7130682591       16.0474632584
  H        18.9927121922       19.1064200670       14.1695978990
  H        19.0021393225       20.0261889120       15.7153607717
 Rh         5.9499932340       10.0592162808       14.9883283688
  P         4.1619201272        9.6074827882       13.5904651242
  C         3.8099215474        7.8516918849       13.0838920528
  C         3.7491492392        6.9340903748       14.3235073014
  C         3.6898731125        5.4475078377       13.9361670655
  C         4.8675320700        5.0678821064       13.0355057152
  C         4.8158979787        5.8943642357       11.7496819360
  C         4.8612667393        7.3988897559       12.0531235242
  C         2.5761979066       10.2030375148       14.3673317744
  C         2.6435843462       10.1071716944       15.8991299706
  P         4.3245872299       10.5993985171       16.5343866929
  C         4.1496498240       12.3778239779       17.0385369575
  C         4.0216489473       13.2598467337       15.7769276730
  C         4.0853726862       14.7610182650       16.0954183417
  C         5.3663940782       15.0893342199       16.8660496927
  C         5.4029224034       14.2952349090       18.1736036506
  C         5.3413047468       12.7839586563       17.9292594850
  C         4.5602029624        9.6571389143       18.1112807000
  C         4.8914382830        8.1766547896       17.8408199970
  C         5.1920419333        7.4478550458       19.1581212474
  C         4.0139891915        7.5646679634       20.1357135259
  C         3.3897955957        9.8058385082       19.0970607108
  C         3.6637520470        9.0365672816       20.4017606701
  C         4.3599868327       10.5635608933       12.0141392641
  C         4.7148867019       12.0403207714       12.2764891812
  C         5.0355463662       12.7611689848       10.9568949207
  C         3.8834189026       12.6375402274        9.9496463143
  C         3.4873228824       11.1713703512        9.7238047934
  C         3.1751392283       10.4479890613       11.0460988326
  C         7.7770379339       11.1881446833       15.5590417389
  C         7.5747504875        8.6932426244       14.3591698537
  C         8.4696154216        8.9407101897       15.5910168953
  C         9.5968652502        9.7947700286       14.9471439894
  C         8.6026535392       10.8083177278       14.3135817873
  C         7.7017604570       10.0423923803       16.3544654353
  C         7.6565104326        9.8411261413       13.5664269674
  H         2.8196355723        7.8515965992       12.5993594174
  H         4.6384308568        7.1085301854       14.9492540892
  H         2.8770712442        7.1940121999       14.9420127271
  H         2.7504824200        5.2333582413       13.4082853987
  H         3.6770891414        4.8443846876       14.8507971514
  H         5.8149350136        5.2476720169       13.5661323561
  H         4.8541668053        3.9950687392       12.7984534522
  H         5.6456913241        5.6371791127       11.0771036923
  H         3.8899497122        5.6551531076       11.2075644596
  H         4.7115672463        7.9615813150       11.1264582278
  H         5.8682370685        7.6563458083       12.4119259463
  H         2.4436343918       11.2472072167       14.0516594519
  H         1.7215120704        9.6382724392       13.9679988574
  H         1.8646384821       10.7194032312       16.3756013958
  H         2.4836534937        9.0696925685       16.2239564907
  H         3.2200908907       12.4664376750       17.6235387239
  H         4.8369915472       13.0069268223       15.0812082059
  H         3.0818418414       13.0288309137       15.2555017417
  H         4.0234941160       15.3285082499       15.1555969847
  H         3.2116370521       15.0551933805       16.6945515130
  H         5.4391561533       16.1641758421       17.0786935317
  H         6.2446568522       14.8445235855       16.2493608252
  H         6.3070933977       14.5288998897       18.7491299836
  H         4.5467554537       14.5947694971       18.7946930010
  H         6.2815720534       12.4573510231       17.4631603357
  H         5.2813914087       12.2614099178       18.8940912986
  H         5.4546557665       10.1178195426       18.5623639232
  H         5.7438774195        8.1073705721       17.1474215382
  H         4.0430950556        7.6877282478       17.3408567046
  H         6.0916451889        7.8886304950       19.6123867691
  H         5.4315564245        6.3939393108       18.9571217486
  H         4.2470179005        7.0545726060       21.0804582902
  H         3.1400936608        7.0493530929       19.7111319010
  H         3.2023659549       10.8649897789       19.3157688531
  H         2.4746652394        9.4131444475       18.6355644856
  H         4.4991789670        9.5162591512       20.9365320763
  H         2.7840411317        9.1094423615       21.0578557278
  H         5.2385203591       10.0910969252       11.5442278266
  H         5.5670056327       12.1041924188       12.9724124101
  H         3.8682567272       12.5415813349       12.7690174284
  H         5.2575072076       13.8191734161       11.1558889838
  H         5.9515704937       12.3299503594       10.5282231195
  H         4.1650869443       13.1058079144        8.9949857849
  H         3.0124538534       13.1957403975       10.3197381203
  H         2.6111346802       11.1080059837        9.0619517224
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 Rh        12.6548279407        9.8063856157        4.6979309989
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  H        12.5342140330        7.6172243479        9.4094559494
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  H        11.6065831676        7.4302086593        5.4819755941
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  F         7.3491726565       10.8246130514       -0.2361285035
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  C         6.9946506481        8.8483506667        1.6650334005
  C         6.4461251461        7.8480964957        2.4610537202
  C         5.5480585140        8.1616664703        3.4946860299
  C         5.1595747292        9.4856841751        3.7752317182
  C         5.7354512833       10.4836168468        2.9578859554
  B         4.2408519036        9.8997678162        5.0773266259
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  C         2.5876315528        7.8526639124        4.6584954643
  C         1.6595235443        6.8796990158        5.0585381623
  C         1.2951305630        6.7384055107        6.3996451629
  C         1.8879830119        7.6069528255        7.3251304844
  C         2.8235498532        8.5669761201        6.9168444141
  C         1.5837806662        7.5072626456        8.7950982139
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  F         2.6871020673        7.1596019171        9.5339645902
  F         1.1747730130        8.7181303886        9.3120254036
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  F         0.1940832838        5.0746077919        4.3302211080
  F         0.6518574044        6.7256936812        2.9281036797
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  C         5.8961197952        9.1913095070        6.9526511277
  C         6.8565963386        9.3861765759        7.9458075417
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  C         5.8574981668       11.5264693449        6.4937207332
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  F         7.4254092544        7.1001915828        7.7768577729
  F         6.2867574229        7.7315789102        9.5348076703
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  C         1.2685122925       13.1630006507        4.2814841117
  C         1.8563623167       13.0323777940        5.5379264474
  C         2.8062642481       12.0319372083        5.7893967006
  C         1.1056182920       12.3797818996        1.9154236437
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  F         1.8932957917       13.1555139823        1.0975315491
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  F         7.4985323663        5.8847617392        3.2979748264
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  H         3.2251280927       11.9543951709        6.7925832285
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  F        11.2165443872        9.0173349003       20.2226930666
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  C        11.4400773896       11.0395674539       18.2035154659
  C        11.8889690275       12.0127928070       17.3109351265
  C        12.7684791009       11.6833011248       16.2711630807
  C        13.2419921738       10.3735641589       16.0773067675
  C        12.7607184413        9.4009723262       16.9795923840
  B        14.1536337783        9.9816569008       14.7701338812
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  C        15.7604775512       12.0583296723       15.2241269495
  C        16.7003090430       13.0217483268       14.8367172568
  C        17.0860382269       13.1507545167       13.4976045329
  C        16.5061903055       12.2860414914       12.5612333063
  C        15.5689742092       11.3257619093       12.9600562122
  C        16.8421152837       12.3972056551       11.0967555267
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  F        15.7543830104       12.8159887560       10.3460048899
  F        17.2353446486       11.1906815193       10.5611322271
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  F        18.1482513383       14.8384517158       15.4057124155
  F        17.8385824967       13.2541604328       16.9334004550
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  C        12.4459680230       10.6746255264       12.8453113673
  C        11.4659832105       10.4124422480       11.8785852938
  C        11.0449463625        9.1067181013       11.6259445568
  C        11.6007540168        8.0759441071       12.3856333304
  C        12.5715169126        8.3416639026       13.3569428105
  C        11.0268554274        6.6993248594       12.2314126399
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  F        11.9227612695        5.6913880597       12.4654683454
  F        10.0059713960        6.4973771004       13.1315630865
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  F        10.6240360817       12.6599185520       11.7440605468
  F        11.7671322971       11.8878301188       10.0448511285
  C        15.1889459171        8.7399354571       15.0509263284
  C        15.8543616990        8.5659935507       16.2866538674
  C        16.8097214846        7.5595228008       16.4634408496
  C        17.1186315315        6.6717842207       15.4290653864
  C        16.4814653901        6.8320724005       14.2065985226
  C        15.5542585418        7.8625234018       14.0145398814
  C        17.4840741704        7.2671064435       17.7704097482
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  F        16.7936572395        6.3147385597       18.4803674736
  F        18.7590491889        6.7892951401       17.5408174152
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  F        10.4814708116       13.7338256969       16.4321787582
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  F        17.3766997892        6.5267640261       12.0281665296
  F        15.6567325048        5.2689608054       12.6112858287
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  H        10.7515279509       11.2955566355       19.0038988527
  H        13.0882467501       12.4719937192       15.5913465520
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  H        10.2862862895        8.8979537970       10.8779186727
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  H        15.6259880707        9.2291276135       17.1206957232
  H        17.8332659518        5.8711152429       15.5811850010
  H        15.1023537752        7.9747261895       13.0299442179
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  F         3.3592300618       17.0875815385       18.6313562652
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  C         4.1811723096       19.0327963024       16.8414367107
  C         4.6942209767       20.0194933825       15.9749720861
  C         4.2797158860       21.3393148336       16.2266318458
  C         3.4387988442       21.6638860545       17.2991279682
  C         2.9622015266       20.6780071750       18.1587318044
  C         2.9236455410       23.0640785309       17.4344878831
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  F         3.9023696081       24.0239055359       17.3054293821
  F         1.9923169960       23.2937065728       16.4316000592
  B         5.6121688259       19.6355081711       14.6731461064
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  C         7.2642955919       18.2744164054       16.2278597615
  C         8.2433752225       17.3073168521       16.4687956712
  C         8.6471746815       16.4203201587       15.4704879394
  C         8.0500483986       16.5414258218       14.2163389810
  C         7.0819826542       17.5228170822       13.9693026371
  C         8.4237582129       15.5962430527       13.1144387214
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  F         9.2159322171       14.5687979497       13.5620038052
  F         9.1081110814       16.2276167514       12.1008598104
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  F        10.0145251850       16.5639677574       17.8928827051
  F         7.9539299104       16.3793112485       18.6303602534
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  C         7.2168895648       21.6933039778       15.2318473621
  C         8.1649031667       22.6645150508       14.8899959541
  C         8.5889771131       22.8208351094       13.5669422819
  C         8.0391581042       21.9738845368       12.6044560019
  C         7.0871048376       21.0092738232       12.9491212046
  C         8.4039664491       22.1120599437       11.1581609360
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  F         9.3800548445       23.0319205088       10.9270934800
  F         7.3247746775       22.5145442105       10.4082058128
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  F         7.6877101101       24.3576194002       16.5043554294
  F         9.2705565037       22.8895431900       17.0030668225
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  C         4.0521605035       17.9789684815       13.2701283165
  C         3.0837200685       17.6951202216       12.2961278679
  C         2.5599778225       18.7112948275       11.4960376529
  C         3.0186825348       20.0178929572       11.7030019528
  C         3.9795689500       20.2947598256       12.6792721035
  C         2.3990656154       21.1149334369       10.8867432571
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  F         1.0900104149       21.3346003658       11.2600522659
  F         3.0363380401       22.3170790622       10.9980386940
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  F         3.4285410084       15.3140887265       12.3964215338
  F         1.5224145634       16.1210007667       13.1305815783
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  H         4.6128067811       22.1387143765       15.5663456566
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  H         6.9779897631       18.9414886984       17.0395082834
  H         9.3879918714       15.6528245768       15.6705213595
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  H         1.8067187091       18.4932270710       10.7430272991
  H         4.2984019978       21.3263588164       12.8171195974
  F        15.6186755763        1.2751074125       -0.2931382626
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  F        16.9918094284        1.8963592405        1.3185631612
  F        15.0495132311        2.8843861039        1.1016031257
  C        15.0750451822        0.6116261564        1.9254077407
  C        14.2223389259        0.9229847533        2.9909719623
  C        13.7259072379       -0.0724310813        3.8616339328
  C        14.1649527621       -1.3851208613        3.6260979945
  C        15.0053433597       -1.7038183461        2.5552503954
  C        15.4659884321       -0.7125844864        1.6880840607
  C        15.4678861891       -3.1196014335        2.3835063976
  F        16.0486821016       -3.3178075621        1.1712664198
  F        14.4476736463       -4.0413947550        2.4963856360
  F        16.4090722223       -3.4512346634        3.3542968414
  B        12.7851018910        0.2716611706        5.1561463538
  C        11.7369457011        1.4851336832        4.8439205912
  C        11.1273062240        1.5983244187        3.5794650413
  C        10.1463344945        2.5576999020        3.3185399434
  C         9.7314813034        3.4570040343        4.3053128096
  C        10.3176021432        3.3539513062        5.5643222268
  C        11.2917198096        2.3811620851        5.8299827905
  C         9.9537990077        4.3111013788        6.6593273131
  F        11.0922351015        4.8783615300        7.1886994098
  F         9.1360321451        5.3322086129        6.2381107960
  F         9.3073706469        3.6817149477        7.6990870769
  C         9.6230622501        2.7204763660        1.9277287641
  F         9.4967378322        1.5339542082        1.2493812566
  F         8.4023937373        3.3409620146        1.9033950071
  F        10.4693599404        3.4762903206        1.1631482481
  C        11.7805949956       -0.9600997624        5.5492314845
  C        11.2377141790       -1.8338376093        4.5894768370
  C        10.2895246981       -2.8060278080        4.9262666613
  C         9.8264135531       -2.9399434107        6.2381422865
  C        10.3410658106       -2.0708019846        7.1987343886
  C        11.2964238118       -1.1049352789        6.8607727944
  C         9.9459793990       -2.1877792745        8.6396534201
  F         9.5858881003       -0.9741254338        9.1687342429
  F         8.9076425485       -3.0503161999        8.8701793387
  F        11.0139636753       -2.6144415803        9.3929592554
  C         9.7508030501       -3.6983688508        3.8494318261
  F         8.8176414372       -4.5678424967        4.3252363129
  F        10.7196146222       -4.4526569323        3.2286736610
  F         9.1410836606       -2.9678332592        2.8539521766
  C        13.8516297108        0.6101660763        6.3527561154
  C        14.3438956127        1.9089378112        6.5635666574
  C        15.3258200340        2.1850262703        7.5247635254
  C        15.8700377504        1.1703073494        8.3087630264
  C        15.4108334476       -0.1347222419        8.0994766048
  C        14.4265858833       -0.4067660853        7.1433376731
  C        16.0229325566       -1.2295363392        8.9219211523
  F        16.0411819089       -0.8757888403       10.2618266465
  F        17.3296011843       -1.4916786782        8.5808942904
  F        15.3720899296       -2.4177404285        8.8047210752
  C        15.8739233419        3.5757325720        7.6212682680
  F        16.4770741624        3.8574439020        8.8088846676
  F        14.9137903118        4.5286258582        7.4081065722
  F        16.8299257834        3.7883060161        6.6591848118
  H        13.9400524059        1.9628521751        3.1497264433
  H        13.8430002296       -2.1858226223        4.2907617526
  H        16.1236001703       -0.9613546106        0.8596164654
  H        11.4241929697        0.9235112466        2.7776947485
  H         8.9910418998        4.2217070365        4.0918143436
  H        11.7170067181        2.3333661215        6.8314386142
  H        11.5568472775       -1.7595245292        3.5505549022
  H         9.0986047306       -3.6994141673        6.5044843530
  H        11.6697070770       -0.4462414370        7.6437889794
  H        13.9597648313        2.7327341416        5.9635295247
  H        16.6332468720        1.3883004315        9.0517864386
  H        14.1005847442       -1.4369833980        7.0104367023
  H        10.7891526766       11.7865324266        4.6678119037
  H        11.5882144013       10.0256289756        3.1219635582
     646
 i =      167, E =         0.0028022828
 Rh         3.6512528650        0.2419696502        4.8231082854
  P         5.3939271136        0.6390839341        6.2916302483
  C         5.2316761810       -0.3132422680        7.8715544575
  C         4.8465234019       -1.7890557458        7.6519492233
  C         4.5347178146       -2.4555267754        9.0022533955
  C         5.7162169358       -2.3429281814        9.9760202598
  C         6.1811354892       -0.8883912618       10.1428472629
  C         6.4573595224       -0.2049768157        8.7921009276
  C         5.6696066567        2.4067866321        6.8128754258
  C         4.6321132861        2.8274977359        7.8769710605
  C         4.6509353591        4.3354743368        8.1742103540
  C         4.5517721509        5.1689214963        6.8937839911
  C         5.6865485126        4.8046159122        5.9338504829
  C         5.6311306316        3.3159863564        5.5649479097
  C         7.0076584243        0.1006634842        5.5229213402
  C         6.9790153715        0.2369746525        3.9910207360
  P         5.3164612316       -0.2379220184        3.2969287528
  C         5.4861862451       -2.0239272520        2.7959066945
  C         4.4053273356       -2.4044665830        1.7638435201
  C         4.3890216490       -3.9087886851        1.4700619755
  C         4.2542060508       -4.7410075914        2.7471256076
  C         5.3983056475       -4.4205074042        3.7132608027
  C         5.4288332552       -2.9216124969        4.0530032795
  C         5.1170955376        0.6976294594        1.7110025061
  C         4.8309873438        2.1960028290        1.9301036973
  C         4.4299518361        2.8461171384        0.5951044388
  C         5.5120156057        2.6511037376       -0.4782211984
  C         5.8871915093        1.1697752054       -0.6460157851
  C         6.2560177570        0.5080571577        0.6950307981
  C         1.8917090710        0.3178833550        3.4713763506
  C         1.9138960022       -0.9277387911        4.1049163346
  C         1.0817008947       -0.7847612510        5.3940654794
  C         1.9533442475        0.1507757633        6.2596348273
  C         1.9304250377        1.3954143486        5.6283679867
  C         1.0442815591        1.2402453583        4.3759799352
  C         0.0006630527        0.2182704324        4.9054800097
  H         4.3777070977        0.1769645478        8.3682838900
  H         5.6751723066       -2.3222245118        7.1619424168
  H         3.9831108278       -1.8609913304        6.9730961302
  H         4.2641536950       -3.5098788922        8.8494874980
  H         3.6494138642       -1.9702203565        9.4389224530
  H         5.4372969517       -2.7623077210       10.9536823626
  H         6.5520467803       -2.9540495190        9.6091697068
  H         7.0897911423       -0.8438675668       10.7613569146
  H         5.4023253595       -0.3196113570       10.6748092192
  H         6.7433726252        0.8424572323        8.9544836353
  H         7.3144504655       -0.6883823751        8.3056666904
  H         6.6763366827        2.4627142916        7.2581461548
  H         4.8096263733        2.2738646313        8.8086490892
  H         3.6252629401        2.5427519057        7.5408855492
  H         5.5798620622        4.5965766162        8.7010368736
  H         3.8263867467        4.5743164636        8.8614455663
  H         4.5729850023        6.2395118840        7.1405677916
  H         3.5849316929        4.9898914226        6.4003247840
  H         6.6525119830        5.0371323489        6.4027317421
  H         5.6350338149        5.4030109846        5.0148504886
  H         6.4623494325        3.0651218292        4.8897031296
  H         4.7044649646        3.1128444024        5.0031467151
  H         7.8444802048        0.6651914229        5.9587882273
  H         7.1505076681       -0.9506213404        5.8109923296
  H         7.7725205241       -0.3618382112        3.5208263333
  H         7.1486025691        1.2817660642        3.6955480390
  H         6.4773320598       -2.1364115247        2.3266649624
  H         4.5637173407       -1.8527920218        0.8271990479
  H         3.4149955530       -2.1002142610        2.1292393763
  H         5.3189202650       -4.1864026490        0.9529706648
  H         3.5664712559       -4.1267750936        0.7768639366
  H         4.2382138579       -5.8106880388        2.4963727689
  H         3.2883565765       -4.5307131812        3.2305705890
  H         5.2971474224       -4.9934715529        4.6472380161
  H         6.3559707361       -4.7203716044        3.2630743659
  H         6.2869304283       -2.7077929758        4.7063776780
  H         4.5277529735       -2.6601923913        4.6313001677
  H         4.2010866911        0.2534617999        1.2860620409
  H         5.7283905514        2.6940769948        2.3265917689
  H         4.0385139769        2.3273979534        2.6829371982
  H         4.2264784955        3.9158003196        0.7433496128
  H         3.4860259790        2.3968551156        0.2516348202
  H         6.4080920096        3.2259390985       -0.2022056551
  H         5.1659541746        3.0629364870       -1.4374817361
  H         6.7281745623        1.0666814446       -1.3474746444
  H         5.0367891128        0.6271139463       -1.0891937411
  H         7.1729750401        0.9646658492        1.0890430234
  H         6.4775335966       -0.5555662965        0.5395585260
  H         2.1278355862        0.5273112449        2.4318395628
  H         2.1795731756       -1.8846792285        3.6653352359
  H         0.7616762382       -1.7176859694        5.8644013881
  H         2.2445753297       -0.0589908835        7.2848674411
  H         2.2117374971        2.3537506596        6.0550676011
  H         0.6875703026        2.1684508983        3.9224480165
  H        -0.6159349492        0.6152313407        5.7182908792
  H        -0.6335342019       -0.1932347879        4.1131518959
 Rh        14.7213100885       19.6392998059       14.9727786879
  P        12.9657062595       19.2115140413       13.5221125167
  C        13.1394404372       20.1918158894       11.9571196602
  C        13.5141046579       21.6644613459       12.2117765755
  C        13.8470959150       22.3666548122       10.8850675845
  C        12.6843041391       22.2674548997        9.8876933895
  C        12.2429576823       20.8114202964        9.6768545139
  C        11.9378237225       20.0953231129       11.0053330338
  C        12.6794083966       17.4543933244       12.9699630855
  C        13.6968842124       17.0366423993       11.8868627523
  C        13.6195881381       15.5370478931       11.5602272146
  C        13.7756032500       14.6881535890       12.8248090852
  C        12.6802582851       15.0378711879       13.8364854272
  C        12.7212391500       16.5289366692       14.2066902614
  C        11.3472029592       19.7226113085       14.3089074737
  C        11.4077001452       19.6581020357       15.8459369059
  P        13.0773995618       20.1645014924       16.5020731046
  C        12.9007804863       21.9593155999       16.9602631766
  C        13.9820262289       22.3963667068       17.9706125518
  C        13.9870986279       23.9165944438       18.1909915786
  C        14.0992207807       24.6862660240       16.8717986006
  C        12.9505692293       24.3086046588       15.9338150569
  C        12.9523979158       22.7980075584       15.6639693334
  C        13.3273796936       19.2285602309       18.0808875678
  C        13.6082773122       17.7377503873       17.8061614885
  C        14.0240008066       17.0243181025       19.1012811290
  C        12.9595959768       17.1863105437       20.1970533337
  C        12.6184563591       18.6660655001       20.4388150550
  C        12.2238603620       19.3933948302       19.1381735084
  C        16.4596420710       19.6190930702       16.3475219243
  C        16.4740154337       20.8173126999       15.6274124790
  C        17.3213201183       20.5637591774       14.3650113346
  C        16.4385659238       19.5904770400       13.5531935117
  C        16.4200756217       18.3932996652       14.2707410731
  C        17.2944918321       18.6149085257       15.5224011308
  C        18.3715286870       19.5736035144       14.9409646757
  H        14.0071116780       19.7139038682       11.4718745420
  H        12.6731226889       22.1820531132       12.6968793556
  H        14.3644586067       21.7238346228       12.9085366646
  H        14.1027440220       23.4188474562       11.0724767598
  H        14.7467657159       21.9026886432       10.4539196798
  H        12.9738665919       22.7161349430        8.9258704795
  H        11.8339129236       22.8575497734       10.2571445912
  H        11.3525071626       20.7705702651        9.0322837669
  H        13.0433334934       20.2646395646        9.1538509120
  H        11.6660227871       19.0497397585       10.8118248943
  H        11.0633680047       20.5599655603       11.4792703869
  H        11.6684496490       17.4157912593       12.5321124740
  H        13.5277289537       17.6189948529       10.9711671079
  H        14.7168334771       17.2778160288       12.2204105227
  H        12.6516050962       15.3107712443       11.0897547832
  H        14.3929706761       15.2869596072       10.8197661412
  H        13.7492000736       13.6189560706       12.5712069767
  H        14.7641231473       14.8666340072       13.2742744619
  H        11.6985510903       14.7801381089       13.4157715189
  H        12.7923922061       14.4478215615       14.7562487732
  H        11.8860056880       16.7687700557       14.8822778656
  H        13.6430503924       16.7367446464       14.7735239619
  H        10.5304756081       19.0958481363       13.9218262027
  H        11.1419281786       20.7489001705       13.9738723884
  H        10.6192959104       20.2738604120       16.3027850953
  H        11.2470419304       18.6273162256       16.1914125921
  H        11.9092163661       22.0837684851       17.4249574540
  H        13.8278626703       21.8890458624       18.9330182561
  H        14.9742865817       22.0832808089       17.6172453071
  H        13.0618099453       24.2135665312       18.7052777001
  H        14.8168958576       24.1788584950       18.8609239466
  H        14.1076387531       25.7669916475       17.0676123199
  H        15.0612990608       24.4638366104       16.3867065922
  H        13.0304878648       24.8384815498       14.9740296298
  H        11.9913844911       24.6083832462       16.3793768326
  H        12.1125898672       22.5315491014       15.0070386231
  H        13.8692320026       22.5313941223       15.1132878797
  H        14.2538088020       19.6712362787       18.4845042886
  H        12.7035002976       17.2589776122       17.4023906594
  H        14.3873032898       17.6369830168       17.0341736954
  H        14.2063682647       15.9599213534       18.8940632992
  H        14.9817024277       17.4402224334       19.4491537904
  H        12.0491467507       16.6441248788       19.9022649497
  H        13.3055210446       16.7213712070       21.1316023454
  H        11.7983023571       18.7522281400       21.1670679804
  H        13.4906755194       19.1718715755       20.8828756420
  H        11.2830611192       18.9747434080       18.7566738552
  H        12.0351881859       20.4546495596       19.3437795829
  H        16.2123333521       19.4919794497       17.3973097050
  H        16.2232039324       21.8084822835       15.9956071382
  H        17.6714495619       21.4526689958       13.8350850406
  H        16.1646822423       19.7330468028       12.5116152562
  H        16.1151653818       17.4147952734       13.9106367323
  H        17.6192954572       17.7129902910       16.0469337870
  H        18.9926385339       19.1065195843       14.1690760351
  H        19.0023543201       20.0260835842       15.7149359246
 Rh         5.9498483029       10.0591872109       14.9883752626
  P         4.1619333952        9.6077071457       13.5902880223
  C         3.8102108439        7.8518236488       13.0838220058
  C         3.7498557518        6.9344213049       14.3236466963
  C         3.6902336193        5.4477366803       13.9365135032
  C         4.8676244850        5.0677967322       13.0354749145
  C         4.8161034161        5.8944495742       11.7497169351
  C         4.8617544611        7.3989878334       12.0532266325
  C         2.5760714469       10.2029808808       14.3671493367
  C         2.6433999978       10.1071000894       15.8989953183
  P         4.3243890866       10.5992249307       16.5344015352
  C         4.1496224351       12.3776921497       17.0384622104
  C         4.0219613276       13.2596213278       15.7767465340
  C         4.0855046387       14.7608169835       16.0951274600
  C         5.3662255053       15.0892934035       16.8661712536
  C         5.4027150727       14.2950951146       18.1735990947
  C         5.3413296051       12.7838440597       17.9291377377
  C         4.5599363568        9.6569186587       18.1113142780
  C         4.8907579577        8.1763266795       17.8407464724
  C         5.1915587985        7.4474235552       19.1580351301
  C         4.0137611829        7.5645664821       20.1359530033
  C         3.3897947175        9.8058715749       19.0973433195
  C         3.6638782926        9.0365420668       20.4019741191
  C         4.3600000828       10.5637924840       12.0139180625
  C         4.7151467918       12.0405429802       12.2762534857
  C         5.0359945601       12.7611638540       10.9565608510
  C         3.8837358687       12.6379348545        9.9494614250
  C         3.4871469179       11.1719287376        9.7236838419
  C         3.1750563357       10.4484631133       11.0459411420
  C         7.7767368942       11.1881969109       15.5592082863
  C         7.5747192368        8.6933224484       14.3592507728
  C         8.4695134533        8.9408565418       15.5911286507
  C         9.5966940627        9.7950213971       14.9473434520
  C         8.6024183438       10.8084724958       14.3137850762
  C         7.7015155814       10.0423979060       16.3546065907
  C         7.6563987300        9.8412308282       13.5665325187
  H         2.8200384746        7.8514008163       12.5993373939
  H         4.6393359843        7.1088553612       14.9489701835
  H         2.8780152747        7.1944553358       14.9424112935
  H         2.7506681233        5.2337144705       13.4088835992
  H         3.6776912776        4.8447980205       14.8511099882
  H         5.8151806525        5.2472346239       13.5659897164
  H         4.8537892330        3.9951193911       12.7983590813
  H         5.6458462997        5.6371343345       11.0771627423
  H         3.8901162779        5.6554511555       11.2076086410
  H         4.7122779672        7.9617206231       11.1265882488
  H         5.8686481446        7.6562239806       12.4122370655
  H         2.4433302063       11.2471293512       14.0514917227
  H         1.7215259579        9.6380766936       13.9678042485
  H         1.8644408692       10.7193688199       16.3754029658
  H         2.4833969431        9.0696567084       16.2237922157
  H         3.2200840248       12.4665014834       17.6233779745
  H         4.8374734193       13.0066695181       15.0812979986
  H         3.0822817590       13.0285226002       15.2550446658
  H         4.0238525715       15.3282183398       15.1552973320
  H         3.2115170599       15.0549645145       16.6940132619
  H         5.4386890453       16.1641629531       17.0789243456
  H         6.2447196774       14.8447969316       16.2496284494
  H         6.3068027935       14.5288478718       18.7492782156
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  F         7.3491765115       10.8246256055       -0.2361524318
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  C         5.7355571324       10.4836204067        2.9579306145
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  F         0.1940005804        5.0745409306        4.3302438546
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  F        11.2165561626        9.0173285020       20.2226716412
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  C        12.7606757565        9.4009815625       16.9795421578
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  C        15.7604414341       12.0583313730       15.2240992836
  C        16.7003088476       13.0217576267       14.8367114011
  C        17.0860330211       13.1507428402       13.4976402606
  C        16.5061694813       12.2859960231       12.5612295451
  C        15.5689860646       11.3257226134       12.9600438748
  C        16.8421498643       12.3972209981       11.0967081766
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  F        15.7543943690       12.8159782796       10.3460252614
  F        17.2353313077       11.1907077464       10.5611602150
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  F        18.1482931129       14.8384862942       15.4057009245
  F        17.8385962779       13.2541530254       16.9334148017
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  C        11.0268367366        6.6993242938       12.2313780288
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  F        11.9227501477        5.6913959282       12.4654742081
  F        10.0059742314        6.4973776520       13.1315610978
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  F        10.6239881828       12.6600478732       11.7441025354
  F        11.7671759959       11.8878866152       10.0447544292
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  C        15.8543274726        8.5659899687       16.2867130944
  C        16.8096651341        7.5595627825       16.4633333422
  C        17.1186728883        6.6717964993       15.4289680317
  C        16.4814797033        6.8320688764       14.2066767156
  C        15.5541696411        7.8624774297       14.0145679926
  C        17.4841587892        7.2671129853       17.7706691752
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  F        16.7937135656        6.3148304006       18.4802644444
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  F        10.4814597664       13.7338401870       16.4321749250
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  H        17.8333804452        5.8712231041       15.5811289858
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  F         3.3592410840       17.0875711141       18.6313518382
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  C         2.9237781335       23.0638550957       17.4343413968
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  F         3.9024224614       24.0240037969       17.3054272183
  F         1.9922364973       23.2937677061       16.4315491412
  B         5.6121638424       19.6354427613       14.6732004306
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  C         7.2642291330       18.2743261942       16.2278674997
  C         8.2434010647       17.3072541833       16.4687857831
  C         8.6472360963       16.4203476397       15.4704823854
  C         8.0500705888       16.5413928428       14.2163733415
  C         7.0819064147       17.5227581490       13.9693281849
  C         8.4237372168       15.5962379273       13.1144066971
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  F         9.2159314346       14.5687956565       13.5619965033
  F         9.1080900450       16.2275906532       12.1008874231
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  F        10.0145157809       16.5639645706       17.8928682883
  F         7.9539218248       16.3793023168       18.6303595220
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  C         8.1649213936       22.6644876675       14.8899966334
  C         8.5889548280       22.8208619372       13.5669218014
  C         8.0391681858       21.9738767058       12.6044885439
  C         7.0871285487       21.0091944455       12.9491402254
  C         8.4039866231       22.1120762286       11.1581200834
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  F         9.3800158568       23.0318813823       10.9271088056
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  F         7.6877254114       24.3575971666       16.5043387773
  F         9.2705568727       22.8895378783       17.0030666107
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  C         4.0521681064       17.9789555147       13.2701589550
  C         3.0837064718       17.6951211516       12.2960825937
  C         2.5599855655       18.7112812166       11.4959808874
  C         3.0187294861       20.0177980714       11.7030384690
  C         3.9795874465       20.2947265311       12.6792993861
  C         2.3990627518       21.1151247621       10.8867461896
  F         2.3720288380       20.7825822641        9.5419388879
  F         1.0900630944       21.3345749800       11.2600358227
  F         3.0362578580       22.3169347430       10.9980165896
  C         2.5088651366       16.3087368216       12.1875429039
  F         1.9323367245       16.0519627376       10.9843725979
  F         3.4285384416       15.3140946388       12.3964154246
  F         1.5224090685       16.1210111543       13.1305822582
  H         4.4363124424       17.9887506239       16.6724076709
  H         4.6129512365       22.1387552899       15.5664307412
  H         2.2971142044       20.9282948655       18.9810876616
  H         6.9778714163       18.9413827146       17.0395946071
  H         9.3881127300       15.6529387435       15.6704736719
  H         6.6551885438       17.5895316792       12.9695587351
  H         6.9203902518       21.6035067353       16.2762805011
  H         9.3080379622       23.5861679129       13.2937375171
  H         6.6852657581       20.3718168678       12.1629098694
  H         4.4291942283       17.1593464852       13.8806617962
  H         1.8067903197       18.4932294539       10.7430233016
  H         4.2984121515       21.3263673100       12.8171497704
  F        15.6186735450        1.2751088953       -0.2931574702
  C        15.6625532145        1.6683035925        1.0284700336
  F        16.9918497491        1.8963754402        1.3185692403
  F        15.0494839394        2.8844534356        1.1016044560
  C        15.0750710641        0.6116145272        1.9253929061
  C        14.2222911229        0.9229671376        2.9908832319
  C        13.7258114174       -0.0724401784        3.8615934231
  C        14.1648380288       -1.3851501968        3.6260185631
  C        15.0053511048       -1.7038121418        2.5552217131
  C        15.4660924866       -0.7125617388        1.6881365230
  C        15.4678893566       -3.1195977444        2.3834857607
  F        16.0486689396       -3.3178050998        1.1712878740
  F        14.4476642632       -4.0414039902        2.4963852464
  F        16.4090739385       -3.4512429253        3.3542945200
  B        12.7850519169        0.2716949709        5.1560800926
  C        11.7369858302        1.4851685879        4.8439075540
  C        11.1273166830        1.5984000847        3.5794435587
  C        10.1463125278        2.5577419985        3.3184920818
  C         9.7314505726        3.4570483636        4.3053273068
  C        10.3175815050        3.3540033601        5.5643379611
  C        11.2917000561        2.3812202808        5.8299363460
  C         9.9538282407        4.3110420701        6.6592287339
  F        11.0922636369        4.8784015359        7.1887368970
  F         9.1360012369        5.3322547751        6.2381151913
  F         9.3073207913        3.6816995604        7.6991580300
  C         9.6230397874        2.7205065105        1.9277299476
  F         9.4967347308        1.5339491898        1.2493730158
  F         8.4024271810        3.3409354040        1.9033951904
  F        10.4693552492        3.4762960983        1.1631431606
  C        11.7805149683       -0.9600111451        5.5492006270
  C        11.2375722396       -1.8337195726        4.5894546914
  C        10.2894913721       -2.8059987669        4.9262706543
  C         9.8264531905       -2.9400135211        6.2381549902
  C        10.3410736857       -2.0707951621        7.1987225697
  C        11.2963655025       -1.1048846063        6.8607450885
  C         9.9459773636       -2.1877720554        8.6396687488
  F         9.5858978959       -0.9741543867        9.1687225858
  F         8.9076585497       -3.0503040072        8.8701777342
  F        11.0139557778       -2.6144380141        9.3929564269
  C         9.7507906057       -3.6983773787        3.8494221453
  F         8.8176560266       -4.5678300390        4.3252291780
  F        10.7195989594       -4.4526460068        3.2286804461
  F         9.1410839949       -2.9678385715        2.8539480390
  C        13.8516346506        0.6101439325        6.3527197249
  C        14.3439063427        1.9089680808        6.5635165021
  C        15.3258268525        2.1850129535        7.5247290101
  C        15.8700522258        1.1702649047        8.3087059421
  C        15.4108617148       -0.1346987487        8.0994615371
  C        14.4265488530       -0.4067712038        7.1432830079
  C        16.0229100376       -1.2295383926        8.9218987075
  F        16.0411809657       -0.8757876604       10.2618123619
  F        17.3296113772       -1.4916866913        8.5808916377
  F        15.3720939557       -2.4177369895        8.8047231877
  C        15.8738859596        3.5757850210        7.6212303666
  F        16.4770791010        3.8574287208        8.8088789627
  F        14.9138502239        4.5285470284        7.4081234057
  F        16.8299237607        3.7882978529        6.6591864055
  H        13.9399255541        1.9628503984        3.1496181355
  H        13.8427751956       -2.1858634611        4.2905946883
  H        16.1238139389       -0.9613181034        0.8597924108
  H        11.4242322825        0.9235939696        2.7776324273
  H         8.9910148590        4.2217068747        4.0918136292
  H        11.7170209749        2.3334014237        6.8314259104
  H        11.5566064378       -1.7593047971        3.5504619525
  H         9.0987793589       -3.6995199872        6.5045125663
  H        11.6696378579       -0.4461549305        7.6437586261
  H        13.9597807334        2.7327308842        5.9634756010
  H        16.6332904029        1.3882752925        9.0516863699
  H        14.1005300483       -1.4369775784        7.0104213187
  H        10.7888757240       11.7868308604        4.6662736182
  H        11.5879386898       10.0247798011        3.1217921447
     646
 i =      168, E =         0.0003976825
 Rh         3.6513444048        0.2419909525        4.8231393171
  P         5.3939933091        0.6390937445        6.2916696043
  C         5.2316933647       -0.3133033808        7.8715838148
  C         4.8465443120       -1.7891627733        7.6516835974
  C         4.5346866573       -2.4557022918        9.0020411640
  C         5.7161660982       -2.3432489863        9.9758466053
  C         6.1809727718       -0.8887169862       10.1428159709
  C         6.4573160591       -0.2051077828        8.7922078184
  C         5.6696315535        2.4067930595        6.8129417153
  C         4.6321644179        2.8276129828        7.8769632017
  C         4.6511250435        4.3355029830        8.1742855429
  C         4.5519109163        5.1690040593        6.8938490393
  C         5.6865359663        4.8046095091        5.9337549279
  C         5.6309519929        3.3159528688        5.5649630335
  C         7.0077081471        0.1007433618        5.5229297102
  C         6.9791404021        0.2369462001        3.9910079526
  P         5.3165022717       -0.2379207555        3.2969722326
  C         5.4866189967       -2.0239572452        2.7958681676
  C         4.4053983536       -2.4044508262        1.7639216164
  C         4.3892057406       -3.9089159575        1.4701379277
  C         4.2542643030       -4.7411136215        2.7473822790
  C         5.3986397002       -4.4205438049        3.7134132712
  C         5.4289965128       -2.9215288734        4.0531972589
  C         5.1169646542        0.6975346511        1.7110179129
  C         4.8308551076        2.1959203052        1.9301351331
  C         4.4300415794        2.8461764763        0.5952144562
  C         5.5121386049        2.6511748722       -0.4778817825
  C         5.8871156454        1.1699471656       -0.6459692252
  C         6.2558596962        0.5080124406        0.6949798526
  C         1.8917972519        0.3178881873        3.4713830216
  C         1.9139543900       -0.9277112471        4.1050032859
  C         1.0817037103       -0.7846337787        5.3942296350
  C         1.9534626548        0.1510857356        6.2596847525
  C         1.9305778699        1.3956024244        5.6282357348
  C         1.0444290542        1.2403799134        4.3758804556
  C         0.0007612599        0.2185068682        4.9054454087
  H         4.3776872131        0.1767810158        8.3682272135
  H         5.6753811455       -2.3222419267        7.1618327167
  H         3.9833750081       -1.8610602632        6.9728661996
  H         4.2641480797       -3.5100939315        8.8490944270
  H         3.6494164020       -1.9704893086        9.4386281270
  H         5.4372063585       -2.7627463580       10.9534250359
  H         6.5520146271       -2.9543350306        9.6089373979
  H         7.0897411175       -0.8442742003       10.7614077070
  H         5.4022452587       -0.3200531984       10.6748776807
  H         6.7432008025        0.8423479563        8.9547629950
  H         7.3144717874       -0.6883421802        8.3057712946
  H         6.6763271924        2.4627574928        7.2582507895
  H         4.8094077939        2.2738247179        8.8086233578
  H         3.6251957782        2.5430872347        7.5407541782
  H         5.5804425848        4.5964671376        8.7008785153
  H         3.8269905276        4.5745131570        8.8616848506
  H         4.5732474267        6.2395670628        7.1406276574
  H         3.5849152233        4.9900181730        6.4006394568
  H         6.6524514312        5.0373431465        6.4021999835
  H         5.6345659157        5.4028857482        5.0145390323
  H         6.4624658666        3.0650702276        4.8897082518
  H         4.7045749577        3.1126747469        5.0031675833
  H         7.8445668335        0.6653703632        5.9587931111
  H         7.1506723512       -0.9504870667        5.8109968644
  H         7.7725521708       -0.3616553901        3.5208654658
  H         7.1486089607        1.2819341805        3.6955278498
  H         6.4774562185       -2.1363441313        2.3268305372
  H         4.5641563597       -1.8529912042        0.8271531779
  H         3.4153594709       -2.1001327022        2.1290801811
  H         5.3189038321       -4.1866321440        0.9531510320
  H         3.5665199704       -4.1268451449        0.7771354790
  H         4.2382076048       -5.8105742483        2.4967559447
  H         3.2885675134       -4.5305283775        3.2309167926
  H         5.2975438636       -4.9934091700        4.6473256779
  H         6.3561277131       -4.7203124448        3.2630654325
  H         6.2871565369       -2.7077298250        4.7064241751
  H         4.5280500758       -2.6601981312        4.6313482961
  H         4.2009818244        0.2533474093        1.2861767216
  H         5.7281247041        2.6939862372        2.3268648803
  H         4.0381949802        2.3271942239        2.6829483940
  H         4.2264636366        3.9158580710        0.7435714725
  H         3.4860383294        2.3969548453        0.2515212982
  H         6.4083393545        3.2258940307       -0.2016318539
  H         5.1663635565        3.0634030923       -1.4372576573
  H         6.7280714731        1.0667378696       -1.3474713241
  H         5.0365784352        0.6274452570       -1.0892351536
  H         7.1728911025        0.9643487229        1.0889960771
  H         6.4771622469       -0.5557088527        0.5393705827
  H         2.1279491775        0.5271975445        2.4317987332
  H         2.1795782674       -1.8846504653        3.6655514035
  H         0.7617084556       -1.7173193915        5.8645763873
  H         2.2446379343       -0.0586006218        7.2848735139
  H         2.2119572130        2.3540125882        6.0548269018
  H         0.6877604050        2.1685601455        3.9222436021
  H        -0.6158069555        0.6156005706        5.7182957904
  H        -0.6334734677       -0.1930327863        4.1132375327
 Rh        14.7213419833       19.6393407264       14.9727394399
  P        12.9658499728       19.2115912402       13.5220532177
  C        13.1395989040       20.1918070805       11.9569915528
  C        13.5143124704       21.6645040325       12.2117938644
  C        13.8470398981       22.3666830144       10.8850269966
  C        12.6842606067       22.2675947162        9.8877553915
  C        12.2429188396       20.8115723479        9.6769130811
  C        11.9378043443       20.0954393272       11.0053649776
  C        12.6795966696       17.4543959617       12.9700176101
  C        13.6971556647       17.0366916177       11.8869429389
  C        13.6197448745       15.5370411933       11.5602047179
  C        13.7755050740       14.6879643921       12.8247493262
  C        12.6802975562       15.0378795813       13.8365599934
  C        12.7214051616       16.5289734050       14.2067684527
  C        11.3473285339       19.7226928969       14.3087384250
  C        11.4076709916       19.6581057440       15.8457450981
  P        13.0773811081       20.1644397918       16.5019699696
  C        12.9004750745       21.9592252355       16.9603385080
  C        13.9819415671       22.3961451043       17.9705979688
  C        13.9871918991       23.9162423298       18.1911666299
  C        14.0993274385       24.6860726869       16.8721095044
  C        12.9504226727       24.3086886239       15.9342183160
  C        12.9522158604       22.7981294580       15.6641562135
  C        13.3273016263       19.2285476185       18.0807908363
  C        13.6082373344       17.7377399995       17.8062097892
  C        14.0238621749       17.0242972872       19.1013222176
  C        12.9593884145       17.1863962017       20.1970419314
  C        12.6182099768       18.6661726777       20.4387439907
  C        12.2238843520       19.3934104583       19.1380623563
  C        16.4598496250       19.6189836313       16.3472199891
  C        16.4740455487       20.8174873903       15.6275230135
  C        17.3214046980       20.5638188105       14.3649864910
  C        16.4384055736       19.5906051756       13.5527459706
  C        16.4202200799       18.3936758212       14.2707506254
  C        17.2945286006       18.6148511439       15.5221879319
  C        18.3715397432       19.5735774733       14.9406725145
  H        14.0071573330       19.7139828185       11.4717448868
  H        12.6732514818       22.1820563435       12.6969630279
  H        14.3645788869       21.7238297848       12.9084072185
  H        14.1027472134       23.4189991463       11.0725159334
  H        14.7467360883       21.9028406449       10.4538094202
  H        12.9736952388       22.7163251717        8.9259504849
  H        11.8338411587       22.8577071101       10.2573283238
  H        11.3522684923       20.7707883078        9.0323980634
  H        13.0431255086       20.2648507597        9.1537534637
  H        11.6660612228       19.0497937017       10.8118007984
  H        11.0634635433       20.5599664427       11.4793823579
  H        11.6686550510       17.4157184115       12.5321788358
  H        13.5281111880       17.6190235997       10.9713209518
  H        14.7170396493       17.2777144343       12.2206266176
  H        12.6518259038       15.3109192401       11.0896189778
  H        14.3932006052       15.2869636900       10.8198968094
  H        13.7488299528       13.6189062440       12.5710540109
  H        14.7640563405       14.8662022691       13.2742834629
  H        11.6984255238       14.7804084888       13.4157206596
  H        12.7922351387       14.4478074293       14.7561311877
  H        11.8864788048       16.7688567381       14.8824541833
  H        13.6434819735       16.7366130385       14.7734338164
  H        10.5305202965       19.0964468890       13.9214118431
  H        11.1424254785       20.7493392306       13.9739173870
  H        10.6192650140       20.2734775348       16.3026519883
  H        11.2471643494       18.6270030716       16.1909815059
  H        11.9091414662       22.0835158359       17.4252011578
  H        13.8279873936       21.8885920365       18.9328982626
  H        14.9742173255       22.0831016239       17.6169662663
  H        13.0616917120       24.2132306166       18.7054781132
  H        14.8168063192       24.1784110336       18.8612300342
  H        14.1080144341       25.7667379865       17.0679578026
  H        15.0613959775       24.4634127790       16.3869708866
  H        13.0306309138       24.8386292126       14.9742959725
  H        11.9915747784       24.6087453431       16.3796837837
  H        12.1116623140       22.5319460872       15.0074365775
  H        13.8683650538       22.5313611165       15.1131049586
  H        14.2537881338       19.6712813974       18.4844227201
  H        12.7036610482       17.2589410117       17.4022534768
  H        14.3875202530       17.6369895294       17.0342652104
  H        14.2062277327       15.9599532212       18.8941903914
  H        14.9815334313       17.4402316260       19.4493584115
  H        12.0488243425       16.6443298363       19.9020492653
  H        13.3050604454       16.7213836536       21.1315407029
  H        11.7982701554       18.7524646847       21.1669669746
  H        13.4906824617       19.1719385023       20.8827639501
  H        11.2829816004       18.9748044025       18.7565478115
  H        12.0351480533       20.4547662466       19.3436064189
  H        16.2124671783       19.4917985065       17.3973443156
  H        16.2233559372       21.8083180839       15.9956479601
  H        17.6714203932       21.4527840869       13.8350557629
  H        16.1646607543       19.7332477779       12.5117519269
  H        16.1150955891       17.4147060100       13.9103064510
  H        17.6194194794       17.7129277158       16.0466129689
  H        18.9925939207       19.1065893232       14.1687541364
  H        19.0025194679       20.0260480736       15.7147114369
 Rh         5.9497713341       10.0591692622       14.9884088232
  P         4.1619008694        9.6078144353       13.5901479910
  C         3.8107215049        7.8518772481       13.0839268763
  C         3.7500448665        6.9345760260       14.3236284917
  C         3.6905307959        5.4480201849       13.9364693816
  C         4.8676540097        5.0679424122       13.0355688815
  C         4.8162932434        5.8945087037       11.7498021402
  C         4.8618097301        7.3990240707       12.0532032848
  C         2.5760539367       10.2030108352       14.3670713969
  C         2.6432926648       10.1070721401       15.8988814756
  P         4.3242434087       10.5991318144       16.5344247039
  C         4.1497592625       12.3776215523       17.0383420109
  C         4.0219596287       13.2594704988       15.7766246194
  C         4.0854927119       14.7606390294       16.0951636256
  C         5.3662038875       15.0893599234       16.8661479620
  C         5.4025306997       14.2950142666       18.1736944586
  C         5.3412254652       12.7837262604       17.9291795753
  C         4.5597634765        9.6567367005       18.1112999237
  C         4.8903758152        8.1761462288       17.8408230394
  C         5.1911652684        7.4472891916       19.1579527654
  C         4.0136189716        7.5644806019       20.1360500328
  C         3.3897547662        9.8059069258       19.0975133721
  C         3.6640669491        9.0365719854       20.4021646333
  C         4.3598889507       10.5640483586       12.0138692409
  C         4.7154156088       12.0405633367       12.2760043418
  C         5.0361828782       12.7613488822       10.9564707342
  C         3.8838870723       12.6382113019        9.9493641834
  C         3.4870325984       11.1722315766        9.7235215555
  C         3.1750380298       10.4486965584       11.0458512913
  C         7.7765576019       11.1882440615       15.5593057710
  C         7.5747053543        8.6933580427       14.3593168931
  C         8.4694175459        8.9410133038       15.5911588365
  C         9.5966108414        9.7951998494       14.9474839724
  C         8.6022085142       10.8084592579       14.3139715001
  C         7.7013885982       10.0423872892       16.3546362651
  C         7.6563690520        9.8413276905       13.5666646122
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  C         5.7355177766       10.4834034927        2.9581116944
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  F        11.2165388715        9.0173239203       20.2227259297
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  C        11.8889645139       12.0127988919       17.3109817344
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  C        13.2419117884       10.3735724003       16.0773225418
  C        12.7605951215        9.4010158666       16.9795771041
  B        14.1536935277        9.9816077464       14.7701623533
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  C        15.7604244156       12.0583575393       15.2241677019
  C        16.7002772226       13.0217515231       14.8368043120
  C        17.0860013382       13.1506703833       13.4975038298
  C        16.5062371651       12.2860544647       12.5611608693
  C        15.5690170012       11.3257441736       12.9601215296
  C        16.8419075478       12.3970851425       11.0969974200
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  F        15.7543536233       12.8160228795       10.3459417760
  F        17.2353907906       11.1905814302       10.5610254411
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  F        18.1481822046       14.8383902689       15.4057342429
  F        17.8385559539       13.2541698609       16.9333731203
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  C        12.4460887932       10.6743455352       12.8454921641
  C        11.4660444547       10.4124007518       11.8786404247
  C        11.0449306620        9.1065640904       11.6258492150
  C        11.6006771982        8.0759762147       12.3856080140
  C        12.5714373603        8.3421356462       13.3570057600
  C        11.0268551489        6.6993232318       12.2314453826
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  F        11.9227577032        5.6913919445       12.4654730856
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  F        10.6241590600       12.6596002901       11.7439417671
  F        11.7669797454       11.8876978303       10.0451630272
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  C        15.8544223044        8.5659302234       16.2868686622
  C        16.8098655591        7.5593485915       16.4634201029
  C        17.1186634818        6.6720581108       15.4293386454
  C        16.4813092159        6.8321933103       14.2065346300
  C        15.5541775067        7.8621405463       14.0140488810
  C        17.4838939645        7.2670508131       17.7697973919
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  F        16.7935109603        6.3145199058       18.4806104237
  F        18.7591919170        6.7892472773       17.5408439302
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  F        10.4815134694       13.7337954387       16.4322117136
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  F        17.3766006281        6.5267197236       12.0283248099
  F        15.6569775881        5.2691538004       12.6114654287
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  H        10.7516747942       11.2955786713       19.0040347457
  H        13.0882181895       12.4719723166       15.5913447488
  H        13.0647879794        8.3631412704       16.8566894860
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  H        17.8335208911        5.8712088460       15.5810978090
  H        15.1022152127        7.9745221300       13.0302558253
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  F         3.3591865676       17.0876725291       18.6313506490
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  C         4.1812810888       19.0333739156       16.8411368051
  C         4.6939026919       20.0194884970       15.9754519420
  C         4.2800042650       21.3389723894       16.2265288550
  C         3.4389313737       21.6636890635       17.2990354037
  C         2.9619345155       20.6777365062       18.1589022030
  C         2.9230181960       23.0649600877       17.4350995678
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  F         3.9022051702       24.0235696353       17.3054261629
  F         1.9926457016       23.2934745792       16.4317940672
  B         5.6122382028       19.6354174363       14.6730959154
  C         6.6472183328       18.4077246118       14.9718854671
  C         7.2642336427       18.2742642656       16.2279747060
  C         8.2434115372       17.3072624732       16.4688986339
  C         8.6472164950       16.4204270011       15.4704726455
  C         8.0500955951       16.5412963741       14.2162517552
  C         7.0818917294       17.5226664983       13.9692909410
  C         8.4237288457       15.5964152007       13.1146648670
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  F         9.2160051305       14.5686821699       13.5620085558
  F         9.1082038049       16.2276621325       12.1007282160
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  F         8.9101127527       18.3673524081       18.4839754475
  F        10.0146274221       16.5639132789       17.8929240302
  F         7.9538888678       16.3792655520       18.6304286689
  C         6.6356556294       20.8464977235       14.2689161929
  C         7.2169880344       21.6931651359       15.2319752591
  C         8.1649939210       22.6645708129       14.8900890436
  C         8.5888815586       22.8208166289       13.5669381543
  C         8.0391532688       21.9738223419       12.6043458250
  C         7.0872345746       21.0092126168       12.9490035948
  C         8.4038480496       22.1119256387       11.1584093712
  F         8.8235258871       20.9052442783       10.6313040426
  F         9.3802232163       23.0320940549       10.9270026416
  F         7.3247023287       22.5145918919       10.4081231131
  C         8.6822039231       23.5844010389       15.9565988984
  F         9.6015801364       24.4687640079       15.4764440758
  F         7.6876602268       24.3576779360       16.5044014404
  F         9.2705757076       22.8895406081       17.0031020731
  C         4.5419451055       19.2816103821       13.4817835786
  C         4.0521521231       17.9786986146       13.2702177111
  C         3.0836732626       17.6950096796       12.2960588042
  C         2.5600851008       18.7113604358       11.4960325125
  C         3.0187170954       20.0179432120       11.7029926362
  C         3.9794510466       20.2949247160       12.6791129884
  C         2.3991012132       21.1145973431       10.8868153737
  F         2.3720189705       20.7826340941        9.5418920160
  F         1.0899348396       21.3346352666       11.2600903903
  F         3.0364870188       22.3173463343       10.9980297233
  C         2.5089173775       16.3088720084       12.1876084879
  F         1.9322883154       16.0519185274       10.9843143911
  F         3.4285732653       15.3140232721       12.3964213155
  F         1.5223899445       16.1209798741       13.1305852412
  H         4.4363432142       17.9884687626       16.6723795822
  H         4.6130244045       22.1388181706       15.5664936708
  H         2.2970965675       20.9282862330       18.9809514509
  H         6.9778126925       18.9412772905       17.0395959640
  H         9.3882400463       15.6529518910       15.6704563288
  H         6.6551303410       17.5894597687       12.9696139841
  H         6.9204830083       21.6034242582       16.2762497649
  H         9.3080079505       23.5862500153       13.2937169267
  H         6.6853026600       20.3717748304       12.1629434907
  H         4.4291257817       17.1594518499       13.8806089661
  H         1.8067512225       18.4932041774       10.7429398068
  H         4.2983999502       21.3262829860       12.8171717243
  F        15.6186502838        1.2751131212       -0.2929827924
  C        15.6626799746        1.6686346257        1.0283039775
  F        16.9916009315        1.8962831052        1.3185404212
  F        15.0496232617        2.8841536748        1.1016147057
  C        15.0750353637        0.6115879366        1.9254449127
  C        14.2221767030        0.9229064710        2.9909538212
  C        13.7258530565       -0.0724530314        3.8614278066
  C        14.1647595252       -1.3850508548        3.6259508217
  C        15.0053323163       -1.7037879984        2.5552311882
  C        15.4661847348       -0.7126345056        1.6881458232
  C        15.4678734708       -3.1195994428        2.3835138050
  F        16.0486921338       -3.3178102649        1.1712380988
  F        14.4476651560       -4.0413945064        2.4963782931
  F        16.4090708495       -3.4512371296        3.3542858281
  B        12.7850543602        0.2716865533        5.1560927835
  C        11.7368234818        1.4853726561        4.8438391053
  C        11.1273817797        1.5984648622        3.5796146725
  C        10.1463407637        2.5577564695        3.3185643565
  C         9.7313815592        3.4570971273        4.3052583991
  C        10.3176191846        3.3539236550        5.5642372976
  C        11.2917841506        2.3811082487        5.8298033672
  C         9.9537013868        4.3112869046        6.6595404349
  F        11.0921407924        4.8782721919        7.1886075448
  F         9.1360848682        5.3321135740        6.2381121316
  F         9.3074886838        3.6817596877        7.6989130464
  C         9.6230163286        2.7205013072        1.9276392313
  F         9.4967461294        1.5339860940        1.2494146932
  F         8.4023930416        3.3409624722        1.9034018729
  F        10.4693525935        3.4762972764        1.1631511254
  C        11.7804714245       -0.9599460527        5.5491642784
  C        11.2374682832       -1.8336794724        4.5893936983
  C        10.2894842820       -2.8059825827        4.9262178622
  C         9.8265164708       -2.9400141228        6.2381497571
  C        10.3410696020       -2.0707869219        7.1987775716
  C        11.2963296786       -1.1048385128        6.8607705995
  C         9.9460141272       -2.1877923218        8.6395679109
  F         9.5858715400       -0.9740710228        9.1687733235
  F         8.9076314753       -3.0503315855        8.8701930103
  F        11.0139904202       -2.6144495808        9.3929848578
  C         9.7508187141       -3.6982985560        3.8494679290
  F         8.8176004864       -4.5678818447        4.3252557219
  F        10.7196453147       -4.4526855656        3.2286467989
  F         9.1410635912       -2.9678207815        2.8539208157
  C        13.8515839521        0.6102245581        6.3526214888
  C        14.3438729079        1.9090095456        6.5634424987
  C        15.3258901335        2.1849784253        7.5247758769
  C        15.8700509372        1.1703522562        8.3086358107
  C        15.4107794286       -0.1347209845        8.0993559758
  C        14.4266118746       -0.4069319028        7.1433671011
  C        16.0229491932       -1.2295521832        8.9219212507
  F        16.0411764869       -0.8757888953       10.2617889348
  F        17.3295837642       -1.4916760118        8.5808879214
  F        15.3720846826       -2.4177274606        8.8047074138
  C        15.8739656076        3.5756311727        7.6212586979
  F        16.4770698036        3.8574402688        8.8088732886
  F        14.9137070953        4.5287159834        7.4080694292
  F        16.8299402202        3.7883202289        6.6591658887
  H        13.9398588737        1.9628426094        3.1495368348
  H        13.8426275577       -2.1859286952        4.2905162505
  H        16.1239391250       -0.9612872600        0.8599026494
  H        11.4242649130        0.9236129545        2.7775413579
  H         8.9910110346        4.2216940929        4.0918221367
  H        11.7170319659        2.3334354235        6.8314512400
  H        11.5564455202       -1.7591707863        3.5504439586
  H         9.0988504059       -3.6996219457        6.5045453212
  H        11.6695845280       -0.4461172680        7.6437213879
  H        13.9598010228        2.7327015760        5.9634595277
  H        16.6333243745        1.3882632176        9.0516328001
  H        14.1005149311       -1.4369038285        7.0104150758
  H        10.7886222089       11.7869465665        4.6652832624
  H        11.5877697293       10.0242474919        3.1216895652
     646
 i =      169, E =         0.0029107685
 Rh         3.6514938501        0.2420224837        4.8231853105
  P         5.3941176307        0.6391172374        6.2917476427
  C         5.2317429977       -0.3134510716        7.8715752732
  C         4.8467167394       -1.7893238987        7.6513517636
  C         4.5346700792       -2.4560876184        9.0015974123
  C         5.7160634412       -2.3437949426        9.9755181642
  C         6.1808207158       -0.8893048676       10.1428044038
  C         6.4572099917       -0.2053226601        8.7923961711
  C         5.6696434428        2.4068178846        6.8130330574
  C         4.6321781981        2.8277633352        7.8769605763
  C         4.6516800024        4.3355972515        8.1743866560
  C         4.5521397858        5.1691276864        6.8939792362
  C         5.6863565571        4.8046213035        5.9334519258
  C         5.6309318640        3.3158800965        5.5649816746
  C         7.0078440652        0.1009113569        5.5229502230
  C         6.9792600126        0.2370968856        3.9910113217
  P         5.3166232390       -0.2379552832        3.2970303144
  C         5.4870356028       -2.0239780284        2.7959473036
  C         4.4058371049       -2.4045159582        1.7639377511
  C         4.3893674596       -3.9090946163        1.4704076418
  C         4.2544698259       -4.7411188788        2.7478347229
  C         5.3990911074       -4.4205411834        3.7136492934
  C         5.4294337495       -2.9214517288        4.0533830740
  C         5.1167787338        0.6974099225        1.7110512865
  C         4.8305606263        2.1957639747        1.9302576979
  C         4.4300939488        2.8462706925        0.5954027776
  C         5.5124106718        2.6514191015       -0.4774132938
  C         5.8869613665        1.1701859365       -0.6459052209
  C         6.2555669695        0.5078521877        0.6948803063
  C         1.8919635586        0.3178848514        3.4713754041
  C         1.9140238673       -0.9276087468        4.1052077649
  C         1.0817914822       -0.7842129738        5.3943970812
  C         1.9536202339        0.1515713325        6.2597025649
  C         1.9308508671        1.3959867852        5.6280055554
  C         1.0446866632        1.2405788747        4.3757033529
  C         0.0009356341        0.2189286392        4.9054639164
  H         4.3776233317        0.1764840623        8.3681490376
  H         5.6757241805       -2.3222650798        7.1616417157
  H         3.9837348250       -1.8611868156        6.9723902420
  H         4.2641417050       -3.5104339269        8.8484183083
  H         3.6493704084       -1.9709313881        9.4381424687
  H         5.4370452773       -2.7635145194       10.9529868447
  H         6.5519542856       -2.9548262739        9.6085332237
  H         7.0895867483       -0.8449837222       10.7614534674
  H         5.4020683121       -0.3207999053       10.6750113839
  H         6.7429025246        0.8421529048        8.9552488200
  H         7.3145195484       -0.6882824529        8.3059485859
  H         6.6763263754        2.4628363421        7.2584235199
  H         4.8090349139        2.2737634257        8.8085753038
  H         3.6251239449        2.5436736490        7.5405367001
  H         5.5813587756        4.5962547906        8.7005582227
  H         3.8279592525        4.5748691010        8.8621613527
  H         4.5737018984        6.2396742981        7.1407324447
  H         3.5849046248        4.9902475115        6.4011768650
  H         6.6524440178        5.0377168425        6.4013213035
  H         5.6337664044        5.4026292007        5.0140710471
  H         6.4625583096        3.0650062992        4.8897900436
  H         4.7046539572        3.1123682965        5.0031497293
  H         7.8446833139        0.6656602443        5.9587834867
  H         7.1509599971       -0.9502718988        5.8110153304
  H         7.7726896676       -0.3614051072        3.5208867088
  H         7.1486108129        1.2821248233        3.6955191677
  H         6.4778498629       -2.1362574748        2.3270247957
  H         4.5648906377       -1.8533496449        0.8271074532
  H         3.4158251211       -2.0999442754        2.1288796189
  H         5.3189724133       -4.1870460902        0.9534118601
  H         3.5666066149       -4.1269777926        0.7775897279
  H         4.2381894214       -5.8105059965        2.4973979230
  H         3.2889144454       -4.5302108282        3.2315226303
  H         5.2982375933       -4.9933332781        4.6475211157
  H         6.3564584034       -4.7202240229        3.2630329477
  H         6.2875562738       -2.7076163605        4.7065246814
  H         4.5284748906       -2.6601746655        4.6314852194
  H         4.2007833407        0.2531395701        1.2863608719
  H         5.7276825385        2.6938298965        2.3273418238
  H         4.0376892476        2.3268367924        2.6829261841
  H         4.2264549788        3.9159467357        0.7439527114
  H         3.4861218687        2.3971471258        0.2513454452
  H         6.4087278410        3.2257853432       -0.2006446845
  H         5.1670999747        3.0641765063       -1.4367883047
  H         6.7278900507        1.0668471051       -1.3474584881
  H         5.0362440706        0.6280384270       -1.0892913352
  H         7.1727708374        0.9638147513        1.0889288620
  H         6.4765166486       -0.5559092857        0.5390467485
  H         2.1281448221        0.5269947945        2.4317456845
  H         2.1796009909       -1.8846431077        3.6659024759
  H         0.7617184522       -1.7168053039        5.8649439843
  H         2.2447679502       -0.0579268574        7.2849454847
  H         2.2123384100        2.3544535884        6.0543995640
  H         0.6880937886        2.1687509611        3.9218878803
  H        -0.6155696327        0.6162338133        5.7182726450
  H        -0.6333862205       -0.1926912124        4.1133557866
 Rh        14.7214259595       19.6394321019       14.9726666743
  P        12.9660875934       19.2116971206       13.5219369431
  C        13.1398124786       20.1918556356       11.9568341690
  C        13.5145387887       21.6645538464       12.2117508574
  C        13.8470196963       22.3668484019       10.8849949655
  C        12.6841275986       22.2678395110        9.8878914352
  C        12.2427282172       20.8118654362        9.6769762048
  C        11.9378622081       20.0955672914       11.0053817202
  C        12.6799401983       17.4544052890       12.9701131181
  C        13.6975982537       17.0366978474       11.8871290164
  C        13.6200183008       15.5370562915       11.5602151810
  C        13.7753594759       14.6877345500       12.8246820091
  C        12.6802533887       15.0379342903       13.8365387166
  C        12.7218677136       16.5290058857       14.2068711961
  C        11.3475956117       19.7230447893       14.3084390857
  C        11.4077073406       19.6578850233       15.8453990614
  P        13.0773160168       20.1643529429       16.5018053544
  C        12.9001268588       21.9590587175       16.9604367172
  C        13.9818412890       22.3957081079       17.9705453860
  C        13.9871880484       23.9156806311       18.1915248152
  C        14.0995312321       24.6857042836       16.8726247419
  C        12.9504155819       24.3088499480       15.9347550460
  C        12.9514360153       22.7983270357       15.6644702522
  C        13.3272270675       19.2285230110       18.0806501402
  C        13.6082879677       17.7377260725       17.8062257833
  C        14.0236297825       17.0243302166       19.1014429198
  C        12.9589285890       17.1865269150       20.1969501828
  C        12.6180119459       18.6663801985       20.4386034944
  C        12.2238070788       19.3934972628       19.1378587478
  C        16.4600865612       19.6188548901       16.3470692686
  C        16.4742414116       20.8174135574       15.6275162827
  C        17.3214478169       20.5639964473       14.3648438283
  C        16.4383629696       19.5908528053       13.5526079175
  C        16.4202246212       18.3938109989       14.2704259376
  C        17.2946745300       18.6148637424       15.5217836898
  C        18.3716203632       19.5735971537       14.9402790555
  H        14.0072914350       19.7140839610       11.4714824420
  H        12.6735136466       22.1820420235       12.6970954015
  H        14.3648729399       21.7238269185       12.9082370126
  H        14.1027382605       23.4191846492       11.0725649159
  H        14.7466922477       21.9030967058       10.4536111898
  H        12.9734133053       22.7166623301        8.9260741230
  H        11.8337518749       22.8579549383       10.2576348860
  H        11.3519223929       20.7711688346        9.0326356088
  H        13.0428058653       20.2651898940        9.1535677416
  H        11.6661352143       19.0499161263       10.8117615576
  H        11.0635849479       20.5600002222       11.4796031162
  H        11.6690041110       17.4155947284       12.5322808612
  H        13.5287723795       17.6191009265       10.9715441803
  H        14.7174291876       17.2775429660       12.2210065947
  H        12.6521928512       15.3111728726       11.0893689263
  H        14.3936235893       15.2869583602       10.8201002955
  H        13.7481860353       13.6187536205       12.5707755295
  H        14.7639330513       14.8654427176       13.2742852242
  H        11.6982795355       14.7808889799       13.4156680705
  H        12.7919786844       14.4477319591       14.7560100150
  H        11.8872286449       16.7690276075       14.8828124893
  H        13.6441808200       16.7363808058       14.7732515923
  H        10.5305375412       19.0974224883       13.9206637950
  H        11.1433103141       20.7499937798       13.9740154382
  H        10.6191347563       20.2728824075       16.3024604155
  H        11.2473947165       18.6265679552       16.1902104136
  H        11.9089295310       22.0830935684       17.4256460917
  H        13.8282039338       21.8878060244       18.9327023510
  H        14.9740543514       22.0827887331       17.6164950603
  H        13.0615907335       24.2126200107       18.7057798702
  H        14.8166997662       24.1776411278       18.8617871027
  H        14.1086718074       25.7663211191       17.0685710556
  H        15.0615360158       24.4626821893       16.3874271452
  H        13.0308614968       24.8388435434       14.9748508693
  H        11.9917726768       24.6093919373       16.3802837097
  H        12.1102312788       22.5326816501       15.0082414017
  H        13.8670447977       22.5312683216       15.1127043916
  H        14.2537256654       19.6713389514       18.4842630530
  H        12.7038957754       17.2588555978       17.4020016401
  H        14.3878382011       17.6370043255       17.0344776700
  H        14.2059886871       15.9599671783       18.8944020145
  H        14.9812240264       17.4402349247       19.4496973545
  H        12.0483136356       16.6447026455       19.9016938217
  H        13.3042818281       16.7213867908       21.1314793009
  H        11.7981313525       18.7528799043       21.1668475090
  H        13.4906102666       19.1720140714       20.8825393681
  H        11.2828835327       18.9749260907       18.7563368504
  H        12.0350934916       20.4549164123       19.3432963311
  H        16.2127604939       19.4914965645       17.3971647635
  H        16.2235641138       21.8082502675       15.9958134616
  H        17.6713886763       21.4529636801       13.8350221394
  H        16.1645244971       19.7336288656       12.5116022736
  H        16.1150948895       17.4149060930       13.9098846007
  H        17.6196293226       17.7127982967       16.0460607036
  H        18.9925314794       19.1066921772       14.1681729265
  H        19.0027624745       20.0259437534       15.7142615580
 Rh         5.9496211590       10.0591387808       14.9884605278
  P         4.1618934929        9.6080466888       13.5899377861
  C         3.8111598227        7.8520116840       13.0839192643
  C         3.7507616814        6.9348763191       14.3236944970
  C         3.6909747744        5.4483594650       13.9367180132
  C         4.8677289284        5.0679859060       13.0355932863
  C         4.8165060897        5.8946114146       11.7498795581
  C         4.8622762061        7.3990794764       12.0533405664
  C         2.5759533992       10.2029573665       14.3669022343
  C         2.6430984448       10.1070298735       15.8987063672
  P         4.3240158466       10.5989509883       16.5344524032
  C         4.1497753186       12.3774788474       17.0382368881
  C         4.0222422048       13.2592241193       15.7764363245
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  F        18.1481403938       14.8383520725       15.4057419188
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  F        10.6242016905       12.6594846891       11.7439050586
  F        11.7669538044       11.8876546890       10.0452342924
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  C        16.8099246599        7.5593266421       16.4635080033
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  F        16.7934602081        6.3144461695       18.4806944382
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  H        10.7517665678       11.2955927679       19.0041289394
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  H        15.1020565251        7.9743934254       13.0302921584
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  F         3.3591734356       17.0876712282       18.6313523201
  C         3.3377318004       19.3555074795       17.9094774154
  C         4.1812704820       19.0333401049       16.8411206910
  C         4.6939097073       20.0194603551       15.9754910730
  C         4.2800682334       21.3390283828       16.2265603002
  C         3.4389705549       21.6636742353       17.2989829573
  C         2.9618690206       20.6776676688       18.1588543046
  C         2.9229251021       23.0651057724       17.4352079414
  F         2.3002571171       23.2918344535       18.6236420874
  F         3.9021636151       24.0234963198       17.3054314170
  F         1.9927012248       23.2934345212       16.4318251575
  B         5.6122357716       19.6353905176       14.6731057636
  C         6.6471776759       18.4076253004       14.9719359231
  C         7.2641592020       18.2741972638       16.2280376547
  C         8.2433862501       17.3072699317       16.4689138266
  C         8.6472663478       16.4204629420       15.4704450216
  C         8.0500796566       16.5412896030       14.2162460367
  C         7.0818359428       17.5225856569       13.9693355743
  C         8.4237575316       15.5964007731       13.1146898486
  F         7.3128787846       15.0303591170       12.5391079178
  F         9.2160016102       14.5686902337       13.5620157257
  F         9.1082189243       16.2276872087       12.1007140888
  C         8.7838380345       17.1546088835       17.8521298154
  F         8.9101185851       18.3673730409       18.4839872304
  F        10.0146324739       16.5639196549       17.8929374401
  F         7.9538974522       16.3792757714       18.6304239176
  C         6.6357140974       20.8464233712       14.2689559048
  C         7.2170581548       21.6930699508       15.2320001040
  C         8.1649972554       22.6645309084       14.8901134830
  C         8.5888280798       22.8208184018       13.5669524431
  C         8.0391460805       21.9737841404       12.6043226796
  C         7.0872781498       21.0091515352       12.9490195255
  C         8.4038419687       22.1118994796       11.1584318060
  F         8.8235311483       20.9052304530       10.6312997673
  F         9.3802416323       23.0321114434       10.9269995526
  F         7.3246900465       22.5145999226       10.4081141115
  C         8.6822346039       23.5843993116       15.9565854731
  F         9.6015667125       24.4687452846       15.4764583767
  F         7.6876532254       24.3576875108       16.5044078152
  F         9.2705763292       22.8895431780       17.0031068711
  C         4.5419533595       19.2815601871       13.4818232015
  C         4.0521320444       17.9786969314       13.2702127502
  C         3.0837129268       17.6949742586       12.2960720113
  C         2.5601500433       18.7113656442       11.4960284949
  C         3.0187193880       20.0180256657       11.7029387304
  C         3.9794526777       20.2949200124       12.6791100560
  C         2.3991020600       21.1144102173       10.8868107995
  F         2.3720344816       20.7826473815        9.5419040806
  F         1.0899124488       21.3346486909       11.2601162713
  F         3.0365691999       22.3174765962       10.9980441601
  C         2.5089042779       16.3088622329       12.1876096211
  F         1.9322865011       16.0519133383       10.9843063653
  F         3.4285764148       15.3140239666       12.3964218487
  F         1.5224082913       16.1209775714       13.1305760768
  H         4.4363001783       17.9884987460       16.6723764948
  H         4.6131563861       22.1388212654       15.5666209599
  H         2.2969336016       20.9282823145       18.9808879737
  H         6.9777076324       18.9411174384       17.0396323500
  H         9.3884074111       15.6530314055       15.6704141462
  H         6.6550200349       17.5893346118       12.9696663071
  H         6.9206241764       21.6032780882       16.2762758854
  H         9.3079134106       23.5863376127       13.2936903618
  H         6.6853621478       20.3716807928       12.1629565443
  H         4.4290766484       17.1594493514       13.8806320309
  H         1.8067682690       18.4931898891       10.7428688144
  H         4.2984018869       21.3262696414       12.8171988834
  F        15.6186524670        1.2751129272       -0.2929782429
  C        15.6626915640        1.6686853405        1.0282908840
  F        16.9915828000        1.8962756228        1.3185341704
  F        15.0496458974        2.8841047850        1.1016168571
  C        15.0750376781        0.6115990767        1.9254570512
  C        14.2220927480        0.9229064989        2.9909049003
  C        13.7257820328       -0.0724642870        3.8613338992
  C        14.1646448981       -1.3850668323        3.6258592769
  C        15.0053137895       -1.7038008101        2.5552470477
  C        15.4662749958       -0.7126232172        1.6882256913
  C        15.4678565116       -3.1196026618        2.3835295404
  F        16.0487041429       -3.3178135264        1.1712139230
  F        14.4476651603       -4.0413850664        2.4963730619
  F        16.4090665246       -3.4512317260        3.3542761437
  B        12.7850297905        0.2717166252        5.1560583867
  C        11.7368146180        1.4854498251        4.8437906023
  C        11.1274003667        1.5985248941        3.5795588177
  C        10.1463485560        2.5577908710        3.3185769193
  C         9.7313587776        3.4571097082        4.3052282783
  C        10.3176263341        3.3539217324        5.5642024155
  C        11.2918054563        2.3811466633        5.8298033179
  C         9.9536608756        4.3113499143        6.6596194097
  F        11.0921096382        4.8782416766        7.1885737615
  F         9.1360996647        5.3320886322        6.2381104941
  F         9.3075337262        3.6817750020        7.6988468563
  C         9.6230307296        2.7204951265        1.9276305620
  F         9.4967461264        1.5339930973        1.2494186729
  F         8.4023391028        3.3409971225        1.9033907029
  F        10.4693562619        3.4763085094        1.1631373045
  C        11.7803629468       -0.9598710246        5.5491282884
  C        11.2373298132       -1.8335547527        4.5893311300
  C        10.2894693314       -2.8059438103        4.9261819595
  C         9.8265939580       -2.9400466657        6.2381628655
  C        10.3410839959       -2.0707687416        7.1987853523
  C        11.2962768428       -1.1047744647        6.8607438873
  C         9.9460275817       -2.1877985088        8.6395538106
  F         9.5858669388       -0.9740450763        9.1687789242
  F         8.9076250846       -3.0503429857        8.8701907756
  F        11.0140028744       -2.6144526116        9.3929883571
  C         9.7508065076       -3.6982789142        3.8494688450
  F         8.8175919575       -4.5678914155        4.3252630549
  F        10.7196592114       -4.4526903774        3.2286473832
  F         9.1410635746       -2.9678162425        2.8539169198
  C        13.8515944623        0.6102451931        6.3525745984
  C        14.3438627145        1.9089730576        6.5633878600
  C        15.3258889353        2.1849870832        7.5247288208
  C        15.8700672998        1.1703633856        8.3085697065
  C        15.4107518433       -0.1347732501        8.0992938185
  C        14.4265969081       -0.4069175210        7.1433305325
  C        16.0229612573       -1.2295524985        8.9219117923
  F        16.0411749619       -0.8757842439       10.2617823854
  F        17.3295777164       -1.4916679464        8.5808846026
  F        15.3720784531       -2.4177270024        8.8046992492
  C        15.8740157432        3.5755756556        7.6212742159
  F        16.4770602187        3.8574432199        8.8088606313
  F        14.9136523609        4.5287757014        7.4080472834
  F        16.8299504722        3.7883283005        6.6591490477
  H        13.9397407302        1.9628023237        3.1494116505
  H        13.8423967091       -2.1859674821        4.2903324584
  H        16.1241950683       -0.9612598368        0.8600460469
  H        11.4242941556        0.9237289812        2.7775099386
  H         8.9909562124        4.2217199034        4.0918194423
  H        11.7170307701        2.3334785976        6.8314085512
  H        11.5561753243       -1.7589432796        3.5503924803
  H         9.0989956278       -3.6997761036        6.5045905784
  H        11.6695033942       -0.4460345913        7.6436820263
  H        13.9598188854        2.7327055588        5.9634029970
  H        16.6333857685        1.3882412910        9.0515481355
  H        14.1004644162       -1.4368952088        7.0104014688
  H        10.7882958790       11.7872447978        4.6635898425
  H        11.5874680866       10.0233122473        3.1215071351
     646
 i =      170, E =         0.0002207365
 Rh         3.6515584736        0.2420352472        4.8232078407
  P         5.3941728096        0.6391359891        6.2917929691
  C         5.2317766970       -0.3135562769        7.8715248983
  C         4.8469033264       -1.7893808313        7.6513097714
  C         4.5346972498       -2.4563023119        9.0013202471
  C         5.7160164025       -2.3440766096        9.9753349726
  C         6.1808243005       -0.8895885985       10.1428435046
  C         6.4571509315       -0.2054112510        8.7924844028
  C         5.6696562390        2.4068391156        6.8130709297
  C         4.6321178215        2.8277936763        7.8769675077
  C         4.6520968688        4.3356816251        8.1744225619
  C         4.5522285926        5.1691580000        6.8940530173
  C         5.6861806351        4.8046484039        5.9332192029
  C         5.6311065551        3.3158279985        5.5649688659
  C         7.0079602421        0.1010380343        5.5229640713
  C         6.9792366986        0.2373074142        3.9910360535
  P         5.3167190473       -0.2379914093        3.2970431146
  C         5.4869986308       -2.0239685371        2.7960915610
  C         4.4062336366       -2.4046560464        1.7639152289
  C         4.3893976386       -3.9091368887        1.4706727828
  C         4.2546391496       -4.7409252969        2.7480723413
  C         5.3992232498       -4.4204409678        3.7136842335
  C         5.4296980710       -2.9214979906        4.0533264089
  C         5.1167259159        0.6973767157        1.7110694707
  C         4.8303839984        2.1956797757        1.9303856967
  C         4.4300080432        2.8463302060        0.5954871728
  C         5.5126001685        2.6516504271       -0.4772917124
  C         5.8868879258        1.1702416016       -0.6459023300
  C         6.2554123757        0.5077325753        0.6948343549
  C         1.8920570762        0.3178762696        3.4713466607
  C         1.9140485830       -0.9275386401        4.1053222385
  C         1.0818642993       -0.7839398748        5.3944447591
  C         1.9536798745        0.1518048770        6.2596735539
  C         1.9309917418        1.3961846107        5.6279061774
  C         1.0448008479        1.2407118376        4.3756001332
  C         0.0010050566        0.2191364423        4.9055128848
  H         4.3775716505        0.1763563821        8.3681249656
  H         5.6758812266       -2.3222747794        7.1615435178
  H         3.9838248515       -1.8612524616        6.9720950904
  H         4.2641372429       -3.5105941740        8.8480945155
  H         3.6493088894       -1.9711273936        9.4379263428
  H         5.4369656459       -2.7638877399       10.9527801875
  H         6.5519111048       -2.9550524866        9.6083418631
  H         7.0894638208       -0.8453298420       10.7614444481
  H         5.4019667357       -0.3211531157       10.6750792231
  H         6.7427556761        0.8420467161        8.9554838394
  H         7.3145455848       -0.6882585635        8.3060328817
  H         6.6763200985        2.4628754016        7.2584926142
  H         4.8088615175        2.2737426359        8.8085458188
  H         3.6251317075        2.5439624459        7.5404446224
  H         5.5817374901        4.5961368070        8.7003719978
  H         3.8283809784        4.5750468721        8.8624263085
  H         4.5739210523        6.2397425458        7.1407854537
  H         3.5849188122        4.9903660841        6.4014346212
  H         6.6524979378        5.0379001852        6.4009233471
  H         5.6333890098        5.4024791228        5.0138923550
  H         6.4625234231        3.0649946801        4.8898825965
  H         4.7046246772        3.1122147708        5.0031108971
  H         7.8447057287        0.6657785224        5.9587617011
  H         7.1511021170       -0.9501956286        5.8110355563
  H         7.7728214771       -0.3613354698        3.5208601054
  H         7.1486059499        1.2821509154        3.6955327665
  H         6.4781755891       -2.1362368520        2.3270480118
  H         4.5652309301       -1.8535090128        0.8270739611
  H         3.4159493649       -2.0998226495        2.1288291013
  H         5.3190614944       -4.1872558041        0.9535032722
  H         3.5666156111       -4.1270591452        0.7777687914
  H         4.2381740239       -5.8106138071        2.4976799083
  H         3.2890703386       -4.5300657684        3.2318173691
  H         5.2985715432       -4.9933489966        4.6476935291
  H         6.3566627101       -4.7201962943        3.2630079156
  H         6.2877932360       -2.7075481670        4.7066144195
  H         4.5286212387       -2.6601378612        4.6315905761
  H         4.2006724458        0.2530313490        1.2864374219
  H         5.7274753191        2.6937503259        2.3275699537
  H         4.0374833521        2.3266620076        2.6828811597
  H         4.2264687703        3.9159611999        0.7441316722
  H         3.4862214847        2.3972601159        0.2512823650
  H         6.4088725227        3.2257020036       -0.2001785305
  H         5.1674773643        3.0645157291       -1.4364866698
  H         6.7277864776        1.0669120908       -1.3474360270
  H         5.0361072690        0.6283392900       -1.0893057387
  H         7.1727256894        0.9635670437        1.0889038760
  H         6.4762072802       -0.5559801148        0.5388895771
  H         2.1282365008        0.5268920417        2.4317378339
  H         2.1796173055       -1.8846609457        3.6660610039
  H         0.7617037127       -1.7166044487        5.8651453602
  H         2.2448388429       -0.0576033149        7.2850059972
  H         2.2125199520        2.3546523024        6.0541828688
  H         0.6882674101        2.1688136936        3.9217282772
  H        -0.6154416066        0.6165348090        5.7182396582
  H        -0.6333509195       -0.1925289995        4.1133982714
 Rh        14.7214917079       19.6394818463       14.9726302741
  P        12.9661749496       19.2117285275       13.5218597972
  C        13.1398663297       20.1919276449       11.9568141870
  C        13.5145465109       21.6645595914       12.2116815367
  C        13.8470797992       22.3670145662       10.8850067439
  C        12.6840128849       22.2679805761        9.8879678350
  C        12.2425606296       20.8120124152        9.6769712372
  C        11.9379434929       20.0955820209       11.0053772564
  C        12.6801232509       17.4544213826       12.9701648974
  C        13.6977734818       17.0366257943       11.8872506311
  C        13.6201587173       15.5370925494       11.5602767735
  C        13.7752649549       14.6876900211       12.8246554149
  C        12.6801814029       15.0380045056       13.8364256747
  C        12.7221936666       16.5289875246       14.2068852934
  C        11.3477484387       19.7233604973       14.3082774503
  C        11.4077836923       19.6576210403       15.8452340642
  P        13.0772416843       20.1643307244       16.5017462037
  C        12.9000602802       21.9589704904       16.9604753734
  C        13.9818510999       22.3954455129       17.9704929484
  C        13.9870685525       23.9154578983       18.1917527529
  C        14.0996711476       24.6854834794       16.8728377744
  C        12.9505561849       24.3089540337       15.9349206123
  C        12.9507702587       22.7983939280       15.6645854062
  C        13.3272560261       19.2285191706       18.0806029091
  C        13.6084100610       17.7377220602       17.8061715321
  C        14.0235052007       17.0243738238       19.1015389937
  C        12.9586617680       17.1865957236       20.1968561490
  C        12.6180464967       18.6664755792       20.4385278494
  C        12.2236823366       19.3936050695       19.1377561585
  C        16.4601494220       19.6188149941       16.3471611268
  C        16.4743906206       20.8172727012       15.6274366333
  C        17.3214070880       20.5640403589       14.3647648480
  C        16.4384468954       19.5910017560       13.5527981049
  C        16.4201174415       18.3936449394       14.2701172110
  C        17.2947956064       18.6148583183       15.5216063842
  C        18.3717099033       19.5736567112       14.9401267172
  H        14.0074013149       19.7141041082       11.4713256653
  H        12.6736716434       22.1820174387       12.6971489664
  H        14.3650757935       21.7238296747       12.9081935581
  H        14.1027205263       23.4192131459       11.0725733016
  H        14.7466689733       21.9032177721       10.4535134187
  H        12.9732848903       22.7168249800        8.9261344261
  H        11.8337407257       22.8580512269       10.2577725756
  H        11.3518010286       20.7713552867        9.0327772163
  H        13.0426731130       20.2653403975        9.1534710764
  H        11.6661761891       19.0499954371       10.8117432933
  H        11.0636222612       20.5600333086       11.4797238021
  H        11.6691687363       17.4155372465       12.5323214607
  H        13.5290889770       17.6191630209       10.9716148739
  H        14.7176527629       17.2774670366       12.2211966850
  H        12.6523501455       15.3112905001       11.0892351898
  H        14.3938504850       15.2869436122       10.8201733957
  H        13.7478769046       13.6186321850       12.5706328099
  H        14.7638936387       14.8650739647       13.2742886941
  H        11.6982450686       14.7811249505       13.4156607112
  H        12.7918647896       14.4476555662       14.7560160668
  H        11.8875410856       16.7691262876       14.8830216805
  H        13.6444940219       16.7362681424       14.7731530122
  H        10.5305164005       19.0978554159       13.9202894043
  H        11.1437539519       20.7502233063       13.9740807454
  H        10.6190272591       20.2726379808       16.3023916881
  H        11.2475195457       18.6264393216       16.1898214362
  H        11.9087879268       22.0828954808       17.4258686600
  H        13.8283058623       21.8874302964       18.9326160178
  H        14.9739283072       22.0826416908       17.6162862904
  H        13.0616209102       24.2123043894       18.7058926366
  H        14.8166758993       24.1772709150       18.8620670781
  H        14.1089903919       25.7661448691       17.0688803190
  H        15.0615636725       24.4623390880       16.3876573668
  H        13.0309593364       24.8389177194       14.9751817813
  H        11.9917911529       24.6097110900       16.3806143727
  H        12.1096686756       22.5330698608       15.0087149827
  H        13.8665117150       22.5312063491       15.1124693475
  H        14.2536617616       19.6713447094       18.4841689363
  H        12.7039733759       17.2587961419       17.4018714737
  H        14.3879402298       17.6370145995       17.0346262314
  H        14.2058762669       15.9599516211       18.8944986067
  H        14.9810730595       17.4402326634       19.4498538016
  H        12.0480875091       16.6448859363       19.9015320949
  H        13.3039211161       16.7213726596       21.1314852841
  H        11.7980145338       18.7530835678       21.1668213927
  H        13.4905294030       19.1720291069       20.8824162574
  H        11.2828617253       18.9749932017       18.7562417757
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 Rh        12.6543968497        9.8063482868        4.6979429423
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  C        13.5141408303       14.6904155628        6.7214708804
  C        13.2639111217       13.7511434320        7.9047792534
  C        13.1668895683       12.2930709745        7.4323626757
  C        15.9587120144        9.6297268081        5.4502349843
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  C         5.1598783355        9.4857828692        3.7754886388
  C         5.7357239208       10.4836439620        2.9581005565
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  C         1.6596526347        6.8796662955        5.0585088532
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  F         2.6870990001        7.1596156117        9.5339484818
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  F         0.1940837575        5.0746265418        4.3302358713
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  F         7.4253989528        7.1002175164        7.7768517433
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  F        11.2165467125        9.0173250587       20.2226875124
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  C        11.4402038487       11.0395548839       18.2036409941
  C        11.8889817566       12.0127982701       17.3109932782
  C        12.7684422514       11.6832424234       16.2711653202
  C        13.2418938786       10.3734881785       16.0772995998
  C        12.7605552837        9.4009156431       16.9794955811
  B        14.1535549803        9.9816031047       14.7701470240
  C        15.1597282055       11.1867746765       14.3000922470
  C        15.7603666780       12.0583492642       15.2241003229
  C        16.7002721139       13.0217412789       14.8367211322
  C        17.0860176803       13.1506916178       13.4976134823
  C        16.5061765133       12.2859649325       12.5612216784
  C        15.5690140219       11.3256506706       12.9600639784
  C        16.8421127315       12.3971866015       11.0967509685
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  F        15.7543820318       12.8159905498       10.3460063843
  F        17.2353361453       11.1906731875       10.5611257339
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  F        16.2460342932       14.6728529909       16.4976598883
  F        18.1482621337       14.8384577179       15.4057021584
  F        17.8385865130       13.2541571138       16.9333991629
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  C        12.4459422127       10.6745462871       12.8453392960
  C        11.4659681219       10.4124687176       11.8785221058
  C        11.0450239198        9.1066981063       11.6258225902
  C        11.6006736577        8.0759143154       12.3856755682
  C        12.5712648757        8.3417606842       13.3571338446
  C        11.0268272329        6.6993381076       12.2314140878
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  F        11.9227534938        5.6913986969       12.4654761190
  F        10.0059605573        6.4973712570       13.1315686500
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  F         9.7392419067       11.1775899302       10.4113482680
  F        10.6240233259       12.6599534781       11.7440771197
  F        11.7671545665       11.8878517503       10.0448217854
  C        15.1887569339        8.7398484175       15.0509704075
  C        15.8542759307        8.5659246240       16.2867478123
  C        16.8097005457        7.5595476078       16.4633385810
  C        17.1187649665        6.6719355439       15.4289893604
  C        16.4814393629        6.8320603585       14.2066557553
  C        15.5540051369        7.8623026707       14.0145339696
  C        17.4840902198        7.2671149599       17.7704832813
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  F        16.7936709175        6.3147724730       18.4803299274
  F        18.7590155951        6.7893046615       17.5408141675
  C        11.3920874087       13.4253442152       17.4308178557
  F        10.7857555175       13.6684717794       18.6261440310
  F        10.4814735570       13.7338213216       16.4321809263
  F        12.4023428997       14.3404851927       17.3058515656
  F        17.6306833575        4.8721335238       13.4875072142
  F        17.3767033707        6.5267665040       12.0281617847
  F        15.6567145960        5.2689424865       12.6112720936
  C        16.7876392023        5.8814551451       13.0907604309
  H        10.7518267516       11.2955856270       19.0041563394
  H        13.0882010887       12.4719486650       15.5913310037
  H        13.0646140583        8.3631194757       16.8565880648
  H        15.4869782152       11.9924496175       16.2762202912
  H        17.7987717026       13.9108713553       13.1926865453
  H        15.1426739834       10.6715328849       12.2009834435
  H        12.7466320047       11.7081071846       13.0149881249
  H        10.2865628775        8.8979061806       10.8776035754
  H        12.9624643820        7.5109585950       13.9413783062
  H        15.6258332238        9.2290073215       17.1206916876
  H        17.8336545978        5.8714303626       15.5810045482
  H        15.1019026253        7.9743413109       13.0301192045
  F         2.7317357625       18.6332152213       20.0997477312
  C         2.7303006886       18.2906329427       18.7677370859
  F         1.4063268319       18.0786852763       18.4736655013
  F         3.3592188401       17.0875886001       18.6313522939
  C         3.3377473120       19.3551980815       17.9094656667
  C         4.1811120877       19.0328695035       16.8413985321
  C         4.6942239269       20.0194937514       15.9750865328
  C         4.2799278521       21.3392679140       16.2267537597
  C         3.4387699630       21.6639238533       17.2991310946
  C         2.9619568655       20.6779900381       18.1586124908
  C         2.9236600209       23.0640366809       17.4344670632
  F         2.2994052406       23.2923815195       18.6248345812
  F         3.9023722824       24.0239114390       17.3054380717
  F         1.9923069697       23.2937167804       16.4315922990
  B         5.6121781958       19.6353656401       14.6732231235
  C         6.6472230779       18.4075278218       14.9719583691
  C         7.2640861240       18.2741606805       16.2279604252
  C         8.2433763778       17.3072361560       16.4688207043
  C         8.6473457387       16.4204260392       15.4704547968
  C         8.0500671586       16.5413432459       14.2163587709
  C         7.0817686195       17.5226074195       13.9693981864
  C         8.4237543947       15.5962455738       13.1144438940
  F         7.3130738583       15.0304998828       12.5392658649
  F         9.2159460173       14.5687786477       13.5620070290
  F         9.1081142988       16.2276140104       12.1008651027
  C         8.7839292952       17.1546612187       17.8523213790
  F         8.9100872537       18.3672164111       18.4838668665
  F        10.0145429130       16.5639557122       17.8928882908
  F         7.9539204748       16.3792959637       18.6303740219
  C         6.6358308397       20.8464596083       14.2688774769
  C         7.2171023422       21.6930172435       15.2319404556
  C         8.1649465965       22.6644264365       14.8900452332
  C         8.5888581218       22.8208736393       13.5669243152
  C         8.0391558404       21.9738064784       12.6044709077
  C         7.0872128075       21.0090571676       12.9491583603
  C         8.4039700404       22.1120302296       11.1581591708
  F         8.8235007884       20.9052618054       10.6313575543
  F         9.3800454265       23.0319077604       10.9271015978
  F         7.3247837783       22.5145358947       10.4082157366
  C         8.6822509861       23.5845029153       15.9566913573
  F         9.6015501142       24.4687097541       15.4764513823
  F         7.6877186734       24.3576102542       16.5043445733
  F         9.2705627696       22.8895412769       17.0030781106
  C         4.5417851114       19.2815916660       13.4816346989
  C         4.0521628595       17.9788989048       13.2702014954
  C         3.0837461314       17.6950754970       12.2960612357
  C         2.5600878307       18.7112929707       11.4959377125
  C         3.0187823273       20.0178436394       11.7029984491
  C         3.9795911648       20.2947305903       12.6792934849
  C         2.3990741828       21.1149912219       10.8867180175
  F         2.3720370856       20.7825888028        9.5419479943
  F         1.0900611420       21.3345748675       11.2600587821
  F         3.0363164237       22.3170227842       10.9980256895
  C         2.5088683717       16.3087327755       12.1875438153
  F         1.9323267609       16.0519519369       10.9843519191
  F         3.4285481659       15.3140790938       12.3964151435
  F         1.5224149662       16.1210027350       13.1305803109
  H         4.4362420911       17.9887320322       16.6723914132
  H         4.6132377959       22.1388042963       15.5666603900
  H         2.2968170742       20.9282695414       18.9809124312
  H         6.9776442525       18.9410769045       17.0396945867
  H         9.3884405578       15.6531182339       15.6703830107
  H         6.6549668757       17.5892752454       12.9696818745
  H         6.9206803220       21.6032058132       16.2763315192
  H         9.3078265814       23.5863292014       13.2936924060
  H         6.6853934393       20.3716339479       12.1629543913
  H         4.4290857266       17.1593605293       13.8806969724
  H         1.8068568812       18.4932044536       10.7429087643
  H         4.2984148860       21.3263233054       12.8172064168
  F        15.6186746685        1.2751115716       -0.2931406207
  C        15.6625773735        1.6683648151        1.0284497744
  F        16.9918204910        1.8963642221        1.3185591682
  F        15.0495111163        2.8843946969        1.1016079930
  C        15.0750778047        0.6116332375        1.9254172272
  C        14.2221343659        0.9229367206        2.9907677665
  C        13.7256592013       -0.0724501860        3.8614122933
  C        14.1645922260       -1.3851700467        3.6258401513
  C        15.0053314508       -1.7038264026        2.5552241341
  C        15.4662996327       -0.7125378495        1.6882722189
  C        15.4678743088       -3.1196121081        2.3834913033
  F        16.0486750331       -3.3178052599        1.1712703160
  F        14.4476562975       -4.0413949722        2.4963779253
  F        16.4090673079       -3.4512369290        3.3542789526
  B        12.7849908148        0.2717596719        5.1559962291
  C        11.7369696112        1.4853255212        4.8438118609
  C        11.1273615687        1.5985461665        3.5794030881
  C        10.1463177590        2.5578048615        3.3184715908
  C         9.7313898870        3.4571022841        4.3052925975
  C        10.3175774069        3.3540370044        5.5643037365
  C        11.2917282427        2.3812844874        5.8298653540
  C         9.9537852703        4.3111059514        6.6592891461
  F        11.0922319344        4.8783773868        7.1887067425
  F         9.1360055395        5.3322438051        6.2381152352
  F         9.3073570446        3.6817124307        7.6991016264
  C         9.6230324114        2.7205271161        1.9277031655
  F         9.4967341107        1.5339648407        1.2493832806
  F         8.4023896666        3.3409558993        1.9033836241
  F        10.4693536439        3.4763108274        1.1631267451
  C        11.7803133897       -0.9598395311        5.5491214316
  C        11.2372812706       -1.8334644821        4.5893487791
  C        10.2894436730       -2.8059298704        4.9262224629
  C         9.8265957435       -2.9401007498        6.2381797933
  C        10.3410943357       -2.0707707951        7.1987308552
  C        11.2962534426       -1.1047548129        6.8606994279
  C         9.9459975723       -2.1877721275        8.6396519388
  F         9.5858956336       -0.9741322968        9.1687276031
  F         8.9076575647       -3.0503146376        8.8701737604
  F        11.0139712826       -2.6144418497        9.3929624760
  C         9.7507717682       -3.6983499456        3.8494192417
  F         8.8176473085       -4.5678400396        4.3252373349
  F        10.7196111238       -4.4526491623        3.2286833896
  F         9.1410786891       -2.9678322097        2.8539351631
  C        13.8516240118        0.6101772883        6.3525954721
  C        14.3439036840        1.9089745649        6.5634029225
  C        15.3258338094        2.1849925556        7.5246515281
  C        15.8700689864        1.1702597336        8.3085598841
  C        15.4108474804       -0.1347278710        8.0993637845
  C        14.4265136573       -0.4068016445        7.1432148311
  C        16.0229190051       -1.2295479230        8.9218744694
  F        16.0411783217       -0.8757788636       10.2617944996
  F        17.3296091112       -1.4916777440        8.5808872811
  F        15.3720864829       -2.4177412466        8.8047135220
  C        15.8739328719        3.5757376464        7.6212223050
  F        16.4770678535        3.8574246843        8.8088584034
  F        14.9138133646        4.5285886270        7.4081056422
  F        16.8299384335        3.7883067615        6.6591659633
  H        13.9396753315        1.9627883419        3.1493675317
  H        13.8422948136       -2.1859558524        4.2902301729
  H        16.1243161691       -0.9612538933        0.8601166848
  H        11.4243029770        0.9238073696        2.7775355145
  H         8.9909199585        4.2217396941        4.0918106221
  H        11.7170339729        2.3334883943        6.8313730282
  H        11.5560626049       -1.7588334030        3.5503259328
  H         9.0990987329       -3.6998152512        6.5045981106
  H        11.6694741864       -0.4459806691        7.6436798304
  H        13.9598233438        2.7327157853        5.9633716730
  H        16.6334079022        1.3882285404        9.0515041665
  H        14.1004251005       -1.4369531010        7.0103900670
  H        10.7882132959       11.7874519187        4.6627876460
  H        11.5873164748       10.0228513969        3.1214176524
     646
 i =      171, E =         0.0028633908
 Rh         3.6516940682        0.2420633226        4.8232514122
  P         5.3942796348        0.6391641921        6.2918674137
  C         5.2318225943       -0.3137071892        7.8714964779
  C         4.8471022608       -1.7895194277        7.6510604981
  C         4.5347007548       -2.4566480797        9.0008727496
  C         5.7159333989       -2.3446226480        9.9750168424
  C         6.1806939423       -0.8901240142       10.1428596484
  C         6.4570642254       -0.2055994520        8.7926533593
  C         5.6696971683        2.4068666845        6.8131597620
  C         4.6321079102        2.8279175144        7.8769717305
  C         4.6526504850        4.3357881272        8.1745152747
  C         4.5524287152        5.1692528104        6.8941816316
  C         5.6860060579        4.8046696401        5.9329166210
  C         5.6311278602        3.3157508531        5.5649626758
  C         7.0081184763        0.1012329154        5.5229829446
  C         6.9793089706        0.2374879871        3.9910506592
  P         5.3168470983       -0.2380226272        3.2970883913
  C         5.4873046701       -2.0239823862        2.7962033835
  C         4.4066658755       -2.4047987071        1.7639722270
  C         4.3895872693       -3.9092737696        1.4710100654
  C         4.2548602878       -4.7408138194        2.7485074531
  C         5.3996174078       -4.4203572158        3.7138333250
  C         5.4300786147       -2.9214890868        4.0534140963
  C         5.1165789621        0.6972719748        1.7110976900
  C         4.8301123021        2.1955306705        1.9305436091
  C         4.4299855694        2.8464476847        0.5956575306
  C         5.5128838178        2.6519433459       -0.4769108832
  C         5.8867662051        1.1704331023       -0.6458647236
  C         6.2551366986        0.5075896585        0.6947519664
  C         1.8922173969        0.3178710477        3.4713292688
  C         1.9141209918       -0.9274481783        4.1054988264
  C         1.0819329047       -0.7835681770        5.3946256052
  C         1.9538359589        0.1522730806        6.2597002810
  C         1.9312485240        1.3965363132        5.6276923236
  C         1.0450382492        1.2409418002        4.3754232491
  C         0.0011492255        0.2195300106        4.9055274108
  H         4.3775036203        0.1760880739        8.3680563246
  H         5.6762016567       -2.3222979106        7.1613512583
  H         3.9841146331       -1.8613664868        6.9716176241
  H         4.2641304627       -3.5109289727        8.8474566889
  H         3.6492464187       -1.9715367421        9.4374784381
  H         5.4368151316       -2.7646030443       10.9523648939
  H         6.5518397621       -2.9554991251        9.6079666922
  H         7.0893001024       -0.8459951077       10.7614754592
  H         5.4018022330       -0.3218548371       10.6751977572
  H         6.7424742548        0.8418523748        8.9559371737
  H         7.3145866972       -0.6882038162        8.3061989380
  H         6.6763054863        2.4629474363        7.2586350276
  H         4.8085315412        2.2736929107        8.8084990333
  H         3.6250903839        2.5445086658        7.5402579757
  H         5.5825771306        4.5959382541        8.7000642159
  H         3.8292821069        4.5753755808        8.8628745034
  H         4.5743441333        6.2398525960        7.1408832052
  H         3.5849199562        4.9905810116        6.4019378847
  H         6.6524984807        5.0382438742        6.4001088514
  H         5.6326491060        5.4022337104        5.0134707646
  H         6.4625737476        3.0649424951        4.8899726601
  H         4.7046815791        3.1119322953        5.0030943051
  H         7.8447935029        0.6660389212        5.9587411243
  H         7.1513757093       -0.9500152372        5.8110591515
  H         7.7729784675       -0.3611184715        3.5208621081
  H         7.1486031701        1.2823157813        3.6955281318
  H         6.4785966252       -2.1361643897        2.3271943042
  H         4.5659032336       -1.8538158780        0.8269969456
  H         3.4163581809       -2.0996467583        2.1286621893
  H         5.3191392113       -4.1876445135        0.9537382811
  H         3.5666543371       -4.1272028943        0.7781522418
  H         4.2381563085       -5.8106403104        2.4982627028
  H         3.2893860995       -4.5297788252        3.2323873770
  H         5.2992131890       -4.9933212859        4.6479462033
  H         6.3569933564       -4.7201288717        3.2629777696
  H         6.2882240062       -2.7074287771        4.7067431740
  H         4.5290064910       -2.6601044506        4.6317371440
  H         4.2004820047        0.2528358342        1.2865996044
  H         5.7270632868        2.6935979741        2.3280083423
  H         4.0370372217        2.3263301201        2.6828473695
  H         4.2264741115        3.9160111753        0.7444855558
  H         3.4863369025        2.3974546148        0.2511378097
  H         6.4092037969        3.2255849987       -0.1992689808
  H         5.1681726309        3.0652155644       -1.4360005061
  H         6.7275993585        1.0670275942       -1.3474072427
  H         5.0358116544        0.6289003081       -1.0893514010
  H         7.1726149628        0.9630782221        1.0888415394
  H         6.4756185459       -0.5561599636        0.5385857876
  H         2.1284185904        0.5266983809        2.4316930270
  H         2.1796357034       -1.8846614375        3.6663890439
  H         0.7617105730       -1.7161168164        5.8654854283
  H         2.2449547349       -0.0569716036        7.2850641166
  H         2.2128747832        2.3550553487        6.0537760453
  H         0.6885890666        2.1689672788        3.9214036094
  H        -0.6152166253        0.6171275890        5.7182099617
  H        -0.6332683004       -0.1922077032        4.1135054160
 Rh        14.7216060816       19.6395652264       14.9725655061
  P        12.9663551433       19.2118184233       13.5217211227
  C        13.1400390827       20.1919956265       11.9566971079
  C        13.5147236879       21.6646003322       12.2116234032
  C        13.8470931335       22.3672021342       10.8849851596
  C        12.6838654818       22.2682394514        9.8880890846
  C        12.2423691585       20.8122737969        9.6770100627
  C        11.9380069448       20.0956909689       11.0054022915
  C        12.6804503905       17.4544461307       12.9702562988
  C        13.6981597895       17.0365866765       11.8874301442
  C        13.6204152636       15.5371234725       11.5603187787
  C        13.7750864895       14.6874990711       12.8245765453
  C        12.6801449231       15.0380837140       13.8363728209
  C        12.7226405779       16.5289958413       14.2069556310
  C        11.3479948661       19.7237243058       14.3079828895
  C        11.4078406415       19.6573704457       15.8449234600
  P        13.0771370308       20.1642663990       16.5016273252
  C        12.8997521376       21.9588098922       16.9605768730
  C        13.9817943288       22.3950076152       17.9704364704
  C        13.9870393930       23.9149590145       18.1921131970
  C        14.0998925686       24.6851072613       16.8732951471
  C        12.9505719342       24.3091213308       15.9354174975
  C        12.9499902190       22.7985522078       15.6648436184
  C        13.3272311325       19.2285089503       18.0804779974
  C        13.6084946135       17.7377065399       17.8061498258
  C        14.0232694586       17.0243928606       19.1016681209
  C        12.9582393189       17.1867347910       20.1967552143
  C        12.6178697006       18.6666476150       20.4383992163
  C        12.2235778368       19.3937240700       19.1375653647
  C        16.4603839290       19.6187102194       16.3469846385
  C        16.4745586327       20.8172588507       15.6274658428
  C        17.3214465051       20.5641329980       14.3646699403
  C        16.4383961058       19.5912383727       13.5526193633
  C        16.4201409438       18.3938121787       14.2698281466
  C        17.2949348554       18.6148077784       15.5212611699
  C        18.3718071103       19.5736955916       14.9397392934
  H        14.0075539675       19.7141819568       11.4710619814
  H        12.6739310392       22.1819971723       12.6972696742
  H        14.3653768410       21.7238284904       12.9080474054
  H        14.1027065240       23.4193629717       11.0726113683
  H        14.7466230585       21.9034571138       10.4533253172
  H        12.9730172911       22.7171388679        8.9262616460
  H        11.8336716677       22.8582707539       10.2580576601
  H        11.3514912110       20.7717135353        9.0330046374
  H        13.0423772317       20.2656607286        9.1532976981
  H        11.6662488943       19.0501156956       10.8117026400
  H        11.0637372219       20.5600653029       11.4799289870
  H        11.6694956379       17.4154246944       12.5324096712
  H        13.5297017397       17.6192495203       10.9717957027
  H        14.7180445766       17.2773119083       12.2215514316
  H        12.6526769154       15.3115230929       11.0889945788
  H        14.3942576683       15.2869287048       10.8203415864
  H        13.7472787198       13.6184700075       12.5703694270
  H        14.7638086153       14.8643718761       13.2743004505
  H        11.6981071232       14.7815719246       13.4156094946
  H        12.7916279917       14.4475707886       14.7559300835
  H        11.8882200073       16.7692954728       14.8833629549
  H        13.6451493830       16.7360550084       14.7729859046
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 Rh        12.6542360023        9.8063298403        4.6979435783
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  C         5.7358066562       10.4836253228        2.9581664531
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  F         2.6871072821        7.1596140007        9.5339831339
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  F        11.2165556623        9.0173218137       20.2226642262
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  C        11.4402366757       11.0395516349       18.2036855925
  C        11.8889905932       12.0128023581       17.3110032228
  C        12.7684208018       11.6832252878       16.2711784745
  C        13.2418709665       10.3734680276       16.0772876510
  C        12.7605173522        9.4009171442       16.9794504187
  B        14.1535199724        9.9815747478       14.7701611191
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  C        15.7603337080       12.0583505288       15.2240822289
  C        16.7002748332       13.0217544261       14.8367251719
  C        17.0860119985       13.1506787988       13.4976414066
  C        16.5061599920       12.2859253956       12.5612140377
  C        15.5690233303       11.3256098803       12.9600438779
  C        16.8421272305       12.3971877084       11.0967199516
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  F        15.7543871378       12.8159832151       10.3460156778
  F        17.2353285005       11.1906875424       10.5611406413
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  F        16.2460254267       14.6728651539       16.4976724832
  F        18.1483004996       14.8384906874       15.4056918858
  F        17.8386011272       13.2541510561       16.9334150723
  C        13.0464092006        9.6454362712       13.5999311639
  C        12.4459111986       10.6745068151       12.8453284074
  C        11.4659350574       10.4124879067       11.8784721635
  C        11.0450541891        9.1067343612       11.6257888273
  C        11.6006211249        8.0758863176       12.3856656853
  C        12.5711897757        8.3417822313       13.3571929824
  C        11.0268001126        6.6993135351       12.2313691896
  F        10.4971877464        6.4947636150       10.9941681545
  F        11.9227394053        5.6914143224       12.4654797999
  F        10.0059651859        6.4973742306       13.1315665278
  C        10.9017946210       11.5263942372       11.0439518774
  F         9.7392036934       11.1776051337       10.4113139966
  F        10.6239841161       12.6600588184       11.7441117224
  F        11.7671781684       11.8878978785       10.0447598769
  C        15.1887190722        8.7397933922       15.0509620240
  C        15.8542365482        8.5659247815       16.2867949133
  C        16.8096598338        7.5595777165       16.4632556283
  C        17.1188246887        6.6719346797       15.4289199904
  C        16.4814290778        6.8320697691       14.2066965266
  C        15.5539337226        7.8622379240       14.0145561935
  C        17.4841566474        7.2671128679       17.7706899022
  F        17.6133510248        8.3287437458       18.6219063224
  F        16.7937122216        6.3148458246       18.4802441278
  F        18.7589510566        6.7893315241       17.5407986534
  C        11.3920939664       13.4253110086       17.4308243340
  F        10.7857490536       13.6684921748       18.6261548805
  F        10.4814697075       13.7338328533       16.4321813398
  F        12.4023458227       14.3404994662       17.3058531519
  F        17.6307291912        4.8720770268       13.4875144568
  F        17.3767254830        6.5267748026       12.0281276423
  F        15.6566437708        5.2688835156       12.6112233966
  C        16.7876502175        5.8815124250       13.0908042986
  H        10.7519251904       11.2955863956       19.0042239878
  H        13.0881898226       12.4719354295       15.5913213197
  H        13.0645229907        8.3630537556       16.8565223604
  H        15.4869099058       11.9924840490       16.2762209938
  H        17.7987787642       13.9108562222       13.1926817463
  H        15.1427128104       10.6714771723       12.2009930885
  H        12.7466396205       11.7081266521       13.0149935139
  H        10.2866490065        8.8978877917       10.8775177436
  H        12.9623261321        7.5109586874       13.9415080944
  H        15.6257907434        9.2289617036       17.1206829273
  H        17.8337551962        5.8715470996       15.5809501390
  H        15.1017630669        7.9742259081       13.0301698587
  F         2.7317492153       18.6332080423       20.0996776915
  C         2.7302346649       18.2906007282       18.7677780573
  F         1.4063351217       18.0786967607       18.4736703110
  F         3.3592264753       17.0875903578       18.6313520729
  C         3.3377048089       19.3552193209       17.9094481058
  C         4.1810911609       19.0328853883       16.8413923982
  C         4.6942458567       20.0195387567       15.9750749516
  C         4.2799748671       21.3392222681       16.2268199172
  C         3.4387350837       21.6639039164       17.2991733555
  C         2.9618842232       20.6780439677       18.1585610589
  C         2.9237381153       23.0639101250       17.4343653859
  F         2.2993134210       23.2924361215       18.6249756125
  F         3.9024039713       24.0239665163       17.3054414433
  F         1.9922634313       23.2937511544       16.4315731797
  B         5.6121887036       19.6353169902       14.6732539422
  C         6.6471362562       18.4074931375       14.9719720549
  C         7.2640336273       18.2740605688       16.2279714934
  C         8.2433919235       17.3071924285       16.4688293608
  C         8.6474200192       16.4204378648       15.4704599639
  C         8.0500672651       16.5413290535       14.2163749073
  C         7.0817117276       17.5225389715       13.9694413813
  C         8.4237290087       15.5962538975       13.1144165105
  F         7.3131134312       15.0305106397       12.5392815857
  F         9.2159590556       14.5687575951       13.5619996704
  F         9.1081046120       16.2275873057       12.1008745402
  C         8.7839294584       17.1546937920       17.8523230614
  F         8.9100826149       18.3671932414       18.4838584458
  F        10.0145458501       16.5639439239       17.8928768391
  F         7.9539078490       16.3792750833       18.6303902237
  C         6.6358711187       20.8463711832       14.2688896818
  C         7.2171777931       21.6929376161       15.2319496184
  C         8.1649573741       22.6643938139       14.8900472042
  C         8.5888277031       22.8208888499       13.5669182613
  C         8.0391530691       21.9737846744       12.6045008724
  C         7.0872411948       21.0089873927       12.9491854139
  C         8.4039699635       22.1120295492       11.1581459505
  F         8.8235011359       20.9052501496       10.6313561847
  F         9.3800293080       23.0318898658       10.9271064558
  F         7.3247959014       22.5145258362       10.4082234059
  C         8.6822210425       23.5844763746       15.9567142318
  F         9.6015704703       24.4687255085       15.4764335451
  F         7.6877313824       24.3575992562       16.5043327878
  F         9.2705682798       22.8895396884       17.0030829543
  C         4.5417777182       19.2816083897       13.4816416248
  C         4.0521493180       17.9789045944       13.2702019174
  C         3.0837588154       17.6951017733       12.2960391383
  C         2.5600958682       18.7112561640       11.4958808853
  C         3.0188384203       20.0177655420       11.7030151122
  C         3.9796170180       20.2947139401       12.6793195315
  C         2.3990785686       21.1151964711       10.8867510725
  F         2.3720173507       20.7825661179        9.5419008733
  F         1.0901167856       21.3345420916       11.2600147678
  F         3.0362371032       22.3168896595       10.9979965487
  C         2.5088926170       16.3087409779       12.1875325626
  F         1.9323224008       16.0519485037       10.9843462629
  F         3.4285475369       15.3140615770       12.3964123197
  F         1.5223934135       16.1209999257       13.1305893280
  H         4.4362184001       17.9887095249       16.6723779385
  H         4.6133726136       22.1388280198       15.5667485934
  H         2.2967195878       20.9282386282       18.9807976801
  H         6.9775308227       18.9409671973       17.0397656535
  H         9.3885575702       15.6532264374       15.6703385511
  H         6.6548649165       17.5891671768       12.9697389150
  H         6.9208029802       21.6030708771       16.2763611904
  H         9.3077160544       23.5863794459       13.2936811311
  H         6.6854525983       20.3715573209       12.1629861239
  H         4.4290501192       17.1593453859       13.8807322382
  H         1.8069264734       18.4932018004       10.7428922682
  H         4.2984171683       21.3262961601       12.8172318547
  F        15.6186707491        1.2751131365       -0.2931345613
  C        15.6625809351        1.6683243216        1.0284586363
  F        16.9918339136        1.8963694928        1.3185627980
  F        15.0494910814        2.8844389126        1.1016079227
  C        15.0751052949        0.6116198855        1.9254022967
  C        14.2220785016        0.9229146687        2.9907014204
  C        13.7255725021       -0.0724579131        3.8613700760
  C        14.1644797248       -1.3851714292        3.6257662817
  C        15.0053393176       -1.7038083097        2.5551961969
  C        15.4664010375       -0.7125179784        1.6883165048
  C        15.4678814422       -3.1196157360        2.3834671526
  F        16.0486631202       -3.3178030708        1.1712891468
  F        14.4476428237       -4.0414084946        2.4963782148
  F        16.4090719510       -3.4512451697        3.3542807128
  B        12.7849451110        0.2717970433        5.1559374405
  C        11.7370004754        1.4853618841        4.8437985764
  C        11.1273837429        1.5986095583        3.5793946291
  C        10.1462870513        2.5578614001        3.3184447265
  C         9.7313735158        3.4571279183        4.3053105959
  C        10.3175445497        3.3540898252        5.5642967458
  C        11.2917233837        2.3813236026        5.8298178799
  C         9.9538127120        4.3110579240        6.6592068612
  F        11.0922542306        4.8784107369        7.1887382795
  F         9.1359801155        5.3322811622        6.2381190265
  F         9.3073121793        3.6817005407        7.6991625218
  C         9.6229985850        2.7205613706        1.9276836910
  F         9.4967305307        1.5339661201        1.2493810638
  F         8.4024406586        3.3409203122        1.9033921004
  F        10.4693468023        3.4763121815        1.1631283083
  C        11.7802434088       -0.9597475247        5.5490870313
  C        11.2371602000       -1.8333374766        4.5893286230
  C        10.2894013945       -2.8059152495        4.9262313914
  C         9.8266411412       -2.9401606954        6.2381897215
  C        10.3410920552       -2.0707776481        7.1987198703
  C        11.2962113856       -1.1046934068        6.8606678109
  C         9.9459969555       -2.1877591890        8.6396691777
  F         9.5859021367       -0.9741577199        9.1687233815
  F         8.9076717661       -3.0503027149        8.8701718184
  F        11.0139645872       -2.6144396790        9.3929627346
  C         9.7507665685       -3.6983531582        3.8494090579
  F         8.8176567900       -4.5678315336        4.3252310644
  F        10.7195961697       -4.4526428759        3.2286856308
  F         9.1410726737       -2.9678360776        2.8539252096
  C        13.8516074028        0.6101602748        6.3525368738
  C        14.3439262617        1.9089996400        6.5633724915
  C        15.3258250810        2.1849943003        7.5246042149
  C        15.8701003185        1.1702264190        8.3085319030
  C        15.4108482537       -0.1347161988        8.0993254887
  C        14.4265002729       -0.4067943164        7.1431818098
  C        16.0229053379       -1.2295504722        8.9218538315
  F        16.0411780225       -0.8757783698       10.2617870208
  F        17.3296213638       -1.4916859903        8.5808899186
  F        15.3720921913       -2.4177468528        8.8047187390
  C        15.8738847329        3.5757860644        7.6211719280
  F        16.4770800501        3.8574155354        8.8088652045
  F        14.9138790010        4.5285185270        7.4081260515
  F        16.8299431842        3.7883028231        6.6591701803
  H        13.9395591005        1.9627774684        3.1492657685
  H        13.8420789121       -2.1860019999        4.2900823375
  H        16.1245144077       -0.9612170826        0.8602844840
  H        11.4243411496        0.9238900131        2.7774821061
  H         8.9908896929        4.2217378068        4.0918103523
  H        11.7170455732        2.3335226745        6.8313534324
  H        11.5558349629       -1.7586223961        3.5502377305
  H         9.0992595449       -3.6999258435        6.5046289238
  H        11.6694060899       -0.4458974121        7.6436490722
  H        13.9598382972        2.7327138168        5.9633227935
  H        16.6334404383        1.3882062505        9.0514094711
  H        14.1003732473       -1.4369597167        7.0103696298
  H        10.7879338710       11.7877492739        4.6612018559
  H        11.5870358901       10.0219644675        3.1212432430
     646
 i =      172, E =         0.0001964902
 Rh         3.6517714620        0.2420792490        4.8232717762
  P         5.3943405024        0.6391742804        6.2918975428
  C         5.2318350431       -0.3137464728        7.8715306189
  C         4.8470962644       -1.7896132943        7.6507975899
  C         4.5346620224       -2.4568115224        9.0007061014
  C         5.7158817553       -2.3448790536        9.9748747273
  C         6.1805544008       -0.8904107575       10.1428174268
  C         6.4570232053       -0.2057144451        8.7927447314
  C         5.6697016633        2.4068739941        6.8132057742
  C         4.6321766031        2.8280251699        7.8769679085
  C         4.6527977444        4.3358010814        8.1745757498
  C         4.5525567070        5.1693311619        6.8942392983
  C         5.6859971211        4.8046523756        5.9328435281
  C         5.6309604735        3.3157304073        5.5649865633
  C         7.0081448867        0.1012757521        5.5229879108
  C         6.9794307229        0.2374460162        3.9910302279
  P         5.3168748334       -0.2380202090        3.2971271238
  C         5.4877018445       -2.0240109690        2.7961526334
  C         4.4067127861       -2.4047451263        1.7640111057
  C         4.3897057692       -3.9093975825        1.4710319282
  C         4.2549022005       -4.7409762735        2.7487105060
  C         5.3999082419       -4.4204318345        3.7140138941
  C         5.4302488608       -2.9213844123        4.0536261008
  C         5.1164646639        0.6971925117        1.7111087860
  C         4.8300058409        2.1954621942        1.9305473791
  C         4.4301055886        2.8464830510        0.5957562620
  C         5.5129647321        2.6519687349       -0.4765950616
  C         5.8866956165        1.1706036995       -0.6458055534
  C         6.2550119165        0.5075555626        0.6947038025
  C         1.8922893443        0.3178705663        3.4713414921
  C         1.9141616495       -0.9274210007        4.1055795799
  C         1.0819472469       -0.7834264247        5.3947450936
  C         1.9539243437        0.1525181140        6.2597368691
  C         1.9313750329        1.3967034080        5.6275742207
  C         1.0451732536        1.2410147264        4.3753531487
  C         0.0012421736        0.2197306989        4.9055002195
  H         4.3774918163        0.1759347309        8.3680049775
  H         5.6763704535       -2.3223075784        7.1612546971
  H         3.9843512867       -1.8614155348        6.9714411482
  H         4.2641325055       -3.5110978954        8.8471191090
  H         3.6492551811       -1.9717698128        9.4372253179
  H         5.4367383061       -2.7649731108       10.9521420173
  H         6.5518209909       -2.9557436673        9.6077647030
  H         7.0892610274       -0.8463358532       10.7615229350
  H         5.4017269600       -0.3222241286       10.6752568081
  H         6.7423331571        0.8417660043        8.9561713378
  H         7.3146062954       -0.6881719742        8.3062855545
  H         6.6763136465        2.4629842574        7.2587191853
  H         4.8083654577        2.2736618735        8.8084811500
  H         3.6250333957        2.5447817137        7.5401562707
  H         5.5830733003        4.5958538309        8.6999340106
  H         3.8297943864        4.5755397572        8.8630723330
  H         4.5745623507        6.2398946042        7.1409305155
  H         3.5849010367        4.9906819799        6.4021982439
  H         6.6524487607        5.0384170214        6.3996657286
  H         5.6322609300        5.4021364265        5.0132050204
  H         6.4626727763        3.0648962443        4.8899605484
  H         4.7047693015        3.1117933572        5.0031162790
  H         7.8448774788        0.6662021914        5.9587482772
  H         7.1515154690       -0.9498854212        5.8110580048
  H         7.7729934099       -0.3609507813        3.5208993873
  H         7.1486040883        1.2824665685        3.6955075709
  H         6.4786729614       -2.1361069638        2.3273366223
  H         4.5662499212       -1.8539988593        0.8269886557
  H         3.4166608808       -2.0995945096        2.1285415536
  H         5.3191314350       -4.1878351247        0.9538959622
  H         3.5667252680       -4.1272602860        0.7784052231
  H         4.2381571341       -5.8105035411        2.4985965888
  H         3.2895618088       -4.5296233625        3.2326815684
  H         5.2995466332       -4.9932446956        4.6479873940
  H         6.3571220828       -4.7200820523        3.2629722173
  H         6.2883922428       -2.7073867815        4.7067525449
  H         4.5292685643       -2.6601133812        4.6317755997
  H         4.2004056772        0.2527465657        1.2866944550
  H         5.7268523908        2.6935252601        2.3282374155
  H         4.0367741695        2.3261622407        2.6828695266
  H         4.2264573526        3.9160767515        0.7446776226
  H         3.4863314943        2.3975335678        0.2510430750
  H         6.4094209634        3.2255629540       -0.1987900332
  H         5.1685038763        3.0656160313       -1.4358339737
  H         6.7275298885        1.0670782348       -1.3474156308
  H         5.0356375360        0.6291752596       -1.0893884295
  H         7.1725492936        0.9628231798        1.0888033477
  H         6.4753194158       -0.5562703750        0.5384311834
  H         2.1285157191        0.5266009525        2.4316545023
  H         2.1796388093       -1.8846433587        3.6665693874
  H         0.7617267073       -1.7158259545        5.8656435541
  H         2.2450069136       -0.0566406069        7.2850745718
  H         2.2130608515        2.3552740944        6.0535710343
  H         0.6887434967        2.1690798005        3.9212194164
  H        -0.6151142346        0.6174416198        5.7182120891
  H        -0.6332220245       -0.1920388091        4.1135689255
 Rh        14.7216388050       19.6396073208       14.9725303672
  P        12.9664769407       19.2118823271       13.5216688108
  C        13.1401847525       20.1919761789       11.9565723293
  C        13.5149214137       21.6646426248       12.2116432719
  C        13.8470285868       22.3672131456       10.8849415434
  C        12.6838428987       22.2683454671        9.8881451981
  C        12.2423408371       20.8124101704        9.6770681846
  C        11.9379907354       20.0957906386       11.0054229913
  C        12.6805955562       17.4544468022       12.9702909513
  C        13.6984080851       17.0366535377       11.8874841805
  C        13.6205359825       15.5371038195       11.5602675868
  C        13.7750368349       14.6873317511       12.8245354771
  C        12.6801606121       15.0380732087       13.8364470462
  C        12.7227766061       16.5290434226       14.2070351102
  C        11.3481014217       19.7237660672       14.3078507478
  C        11.4078142784       19.6573938654       15.8447592099
  P        13.0771291823       20.1642114234       16.5015486641
  C        12.8995039121       21.9587352953       16.9606355808
  C        13.9816975577       22.3948384030       17.9704409965
  C        13.9871428164       23.9146475926       18.1922407339
  C        14.0999555272       24.6849664261       16.8735757131
  C        12.9504448482       24.3091742763       15.9357642921
  C        12.9498626265       22.7986697237       15.6650275062
  C        13.3271424012       19.2284878203       18.0803918721
  C        13.6084320831       17.7376927913       17.8062038981
  C        14.0231669605       17.0243822349       19.1016945674
  C        12.9580547304       17.1867894174       20.1967535877
  C        12.6176589952       18.6667468340       20.4383361020
  C        12.2236137557       19.3937070594       19.1374678844
  C        16.4605479571       19.6186149989       16.3467883371
  C        16.4746073321       20.8173303885       15.6275302707
  C        17.3215295699       20.5642438530       14.3646101814
  C        16.4382854942       19.5913335171       13.5523258053
  C        16.4202401066       18.3940635571       14.2698001795
  C        17.2949587135       18.6148246759       15.5210465506
  C        18.3718000810       19.5736656044       14.9395216899
  H        14.0075818943       19.7142533907       11.4709578716
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 Rh        12.6541722555        9.8063205681        4.6979494430
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  F        11.2165371884        9.0173171901       20.2227211076
  C        11.8821456235        9.7243151754       18.0215343221
  C        11.4402655614       11.0395267861       18.2036977388
  C        11.8889909315       12.0127700109       17.3110292592
  C        12.7684641364       11.6831811549       16.2711266066
  C        13.2418302777       10.3735282311       16.0772928314
  C        12.7604464944        9.4008957723       16.9795032157
  B        14.1536096449        9.9815527199       14.7701788126
  C        15.1596800948       11.1867131943       14.3000565291
  C        15.7603255016       12.0583789464       15.2241478170
  C        16.7002226232       13.0217157506       14.8367975041
  C        17.0859917862       13.1506212366       13.4975039564
  C        16.5062320872       12.2859956522       12.5611674781
  C        15.5690397748       11.3256228749       12.9601208049
  C        16.8419141154       12.3970703619       11.0969717451
  F        17.8576369875       13.2700279486       10.8524963532
  F        15.7543511733       12.8160230185       10.3459399184
  F        17.2353818003       11.1905717544       10.5610165009
  C        17.2384974631       13.9424420041       15.8965603345
  F        16.2460694032       14.6728088364       16.4976208728
  F        18.1481610811       14.8383651126       15.4057347970
  F        17.8385501103       13.2541700110       16.9333638685
  C        13.0461650440        9.6453706238       13.5997373695
  C        12.4460402703       10.6744073554       12.8454760450
  C        11.4660591448       10.4123544712       11.8786272307
  C        11.0449965749        9.1065319990       11.6257357003
  C        11.6006032559        8.0760163386       12.3856367439
  C        12.5711781647        8.3420725383       13.3571941133
  C        11.0268375777        6.6993265593       12.2314750091
  F        10.4970819272        6.4947312352       10.9939996339
  F        11.9227581327        5.6913913030       12.4654798738
  F        10.0059388339        6.4973688334       13.1315786602
  C        10.9015306435       11.5270604341       11.0435910498
  F         9.7394524880       11.1775890534       10.4115333272
  F        10.6241718338       12.6595657635       11.7439321547
  F        11.7669822386       11.8876980900       10.0451714217
  C        15.1885034750        8.7400271143       15.0510578254
  C        15.8542929669        8.5658487699       16.2868054144
  C        16.8099006253        7.5593690600       16.4634710048
  C        17.1187992674        6.6721806294       15.4292474679
  C        16.4812719813        6.8321572497       14.2065049428
  C        15.5539386183        7.8619984508       14.0142054589
  C        17.4838660467        7.2670548583       17.7697262145
  F        17.6135015257        8.3293186390       18.6225612101
  F        16.7934922796        6.3145069402       18.4806260896
  F        18.7591994612        6.7892378063       17.5408529716
  C        11.3920382192       13.4254641332       17.4308750395
  F        10.7858237021       13.6684199750       18.6260363081
  F        10.4815220697       13.7337851847       16.4322198292
  F        12.4022945058       14.3404198488       17.3058554768
  F        17.6305556400        4.8722938469       13.4874716564
  F        17.3766001790        6.5267184281       12.0283279917
  F        15.6569966181        5.2691601285       12.6114744500
  C        16.7876120467        5.8812553006       13.0905505713
  H        10.7519557445       11.2956003808       19.0042778015
  H        13.0881730779       12.4719162476       15.5913322409
  H        13.0644766019        8.3630319922       16.8564869079
  H        15.4868887199       11.9925066017       16.2761657094
  H        17.7987781395       13.9108500207       13.1926870326
  H        15.1427084169       10.6714165268       12.2009577371
  H        12.7466261055       11.7081368335       13.0149798016
  H        10.2867334410        8.8979028302       10.8775133029
  H        12.9622954559        7.5108542461       13.9416349754
  H        15.6257475131        9.2289766466       17.1207057637
  H        17.8338872474        5.8715142415       15.5809298912
  H        15.1017654999        7.9741566396       13.0303690088
  F         2.7317417215       18.6332360858       20.0997106595
  C         2.7302215967       18.2904950174       18.7678048030
  F         1.4063174597       18.0786997862       18.4736667127
  F         3.3591818385       17.0876539990       18.6313539744
  C         3.3376437807       19.3554984224       17.9094428833
  C         4.1812050833       19.0332903468       16.8411510234
  C         4.6939948805       20.0194867896       15.9754363341
  C         4.2801525547       21.3390640915       16.2266768952
  C         3.4389332310       21.6636667437       17.2990155423
  C         2.9617327145       20.6777137665       18.1587511863
  C         2.9230307797       23.0649276849       17.4350891335
  F         2.3001366143       23.2919100566       18.6238179424
  F         3.9022084742       24.0235662382       17.3054313533
  F         1.9926394302       23.2934827741       16.4317870685
  B         5.6122311499       19.6353125805       14.6731696716
  C         6.6470497639       18.4075026862       14.9719843300
  C         7.2640272342       18.2740305824       16.2280769993
  C         8.2434003058       17.3071976107       16.4689137046
  C         8.6473912423       16.4205011720       15.4704200123
  C         8.0500812684       16.5412692534       14.2163007344
  C         7.0817126448       17.5224548765       13.9694186951
  C         8.4237485172       15.5963832702       13.1146528047
  F         7.3129240991       15.0303773055       12.5391293135
  F         9.2159959625       14.5686938873       13.5620033226
  F         9.1082009416       16.2276606201       12.1007334127
  C         8.7838540836       17.1546195557       17.8521639140
  F         8.9101100670       18.3673453465       18.4839711821
  F        10.0146153209       16.5639229398       17.8929219035
  F         7.9538942266       16.3792682920       18.6304251551
  C         6.6358154392       20.8462666266       14.2689838970
  C         7.2172025230       21.6928991774       15.2320182630
  C         8.1650153010       22.6644602934       14.8901147980
  C         8.5887565863       22.8208399954       13.5669465824
  C         8.0391439890       21.9737419247       12.6043679503
  C         7.0873400984       21.0090161612       12.9490782371
  C         8.4038500159       22.1118911665       11.1584061226
  F         8.8235269840       20.9052139161       10.6313063229
  F         9.3802042321       23.0320729048       10.9270157107
  F         7.3247094125       22.5145830724       10.4081315250
  C         8.6822262036       23.5843815248       15.9566134443
  F         9.6015660213       24.4687324349       15.4764514970
  F         7.6876677330       24.3576690366       16.5043914371
  F         9.2705778765       22.8895401933       17.0031129527
  C         4.5419379476       19.2815505205       13.4818422418
  C         4.0521145990       17.9787276151       13.2702210681
  C         3.0837437585       17.6949882872       12.2960381839
  C         2.5602068450       18.7113235989       11.4959474935
  C         3.0187857894       20.0179670444       11.7029188064
  C         3.9794976200       20.2948559242       12.6791565533
  C         2.3991279619       21.1145409118       10.8868153862
  F         2.3720152553       20.7826391267        9.5418787779
  F         1.0899621857       21.3346204230       11.2600860318
  F         3.0365174266       22.3173998002       10.9980221610
  C         2.5089233359       16.3088541512       12.1875942028
  F         1.9322924913       16.0519170240       10.9843082710
  F         3.4285681665       15.3140171097       12.3964145098
  F         1.5224078376       16.1209857378       13.1305688921
  H         4.4362399078       17.9885106223       16.6723552431
  H         4.6134162024       22.1388372220       15.5668270738
  H         2.2967052031       20.9282374068       18.9806907386
  H         6.9774871728       18.9408757390       17.0397564123
  H         9.3886646790       15.6532309379       15.6703282491
  H         6.6548153619       17.5891127107       12.9697820614
  H         6.9208731925       21.6030051084       16.2763380028
  H         9.3076977350       23.5864488349       13.2936631829
  H         6.6854778820       20.3715165305       12.1630082599
  H         4.4289993749       17.1594250031       13.8806961430
  H         1.8068786698       18.4931765028       10.7428023006
  H         4.2984132899       21.3262432094       12.8172519619
  F        15.6186504266        1.2751121852       -0.2929905232
  C        15.6626866971        1.6686366383        1.0283159812
  F        16.9916170331        1.8962876893        1.3185385587
  F        15.0496238683        2.8841564093        1.1016178889
  C        15.0750776156        0.6115870574        1.9254444362
  C        14.2219847495        0.9228813765        2.9907604467
  C        13.7256061198       -0.0724658508        3.8612376858
  C        14.1644327707       -1.3851105514        3.6257003126
  C        15.0053162277       -1.7037815405        2.5552144453
  C        15.4664647168       -0.7125823776        1.6883364437
  C        15.4678532062       -3.1196028864        2.3835111099
  F        16.0486964946       -3.3178148269        1.1712227577
  F        14.4476473205       -4.0413988964        2.4963691289
  F        16.4090705200       -3.4512414583        3.3542733418
  B        12.7849470058        0.2717903423        5.1559505307
  C        11.7368739017        1.4855264837        4.8437525884
  C        11.1274176500        1.5986604528        3.5794855965
  C        10.1463190708        2.5578803208        3.3185473480
  C         9.7313100397        3.4571620317        4.3052276388
  C        10.3175975127        3.3539819287        5.5641787296
  C        11.2917955658        2.3812506663        5.8297637167
  C         9.9536751191        4.3113153894        6.6595484291
  F        11.0921245472        4.8782710960        7.1885986809
  F         9.1360732908        5.3321264286        6.2381144490
  F         9.3075003537        3.6817675469        7.6988904584
  C         9.6230088113        2.7205316238        1.9276188354
  F         9.4967395365        1.5339905472        1.2494098017
  F         8.4023529802        3.3409841815        1.9033893509
  F        10.4693529845        3.4763202722        1.1631248509
  C        11.7802129545       -0.9596911534        5.5490637993
  C        11.2370723701       -1.8333187254        4.5892607198
  C        10.2894051718       -2.8058968830        4.9261784722
  C         9.8267007383       -2.9401489168        6.2381938209
  C        10.3410945637       -2.0707648629        7.1987635008
  C        11.2961720078       -1.1046668745        6.8606946740
  C         9.9460355355       -2.1877875126        8.6395675324
  F         9.5858739613       -0.9740649204        9.1687758416
  F         8.9076440414       -3.0503295745        8.8701878448
  F        11.0139981525       -2.6144493571        9.3929902344
  C         9.7507879655       -3.6982776676        3.8494529799
  F         8.8176054471       -4.5678808607        4.3252556083
  F        10.7196446310       -4.4526815590        3.2286518180
  F         9.1410590226       -2.9678205468        2.8539026142
  C        13.8515871750        0.6102378507        6.3524769078
  C        14.3438851413        1.9089785272        6.5633138910
  C        15.3258968989        2.1849802531        7.5246621365
  C        15.8700898448        1.1703301292        8.3084620834
  C        15.4107711451       -0.1347664171        8.0992363218
  C        14.4265464002       -0.4069031543        7.1432389392
  C        16.0229459850       -1.2295537766        8.9218756531
  F        16.0411719720       -0.8757822027       10.2617610054
  F        17.3295866500       -1.4916748216        8.5808855377
  F        15.3720825811       -2.4177365388        8.8047019899
  C        15.8739873919        3.5755972918        7.6212202133
  F        16.4770629364        3.8574293671        8.8088508155
  F        14.9136984738        4.5287272242        7.4080557033
  F        16.8299619328        3.7883293563        6.6591458073
  H        13.9395101884        1.9627663906        3.1492014939
  H        13.8419643297       -2.1860495307        4.2900220017
  H        16.1246155105       -0.9611916671        0.8603626691
  H        11.4243666312        0.9239099489        2.7774198642
  H         8.9908899732        4.2217223509        4.0918210687
  H        11.7170436274        2.3335498269        6.8313449739
  H        11.5557067423       -1.7585167047        3.5502337398
  H         9.0993073133       -3.7000160654        6.5046583914
  H        11.6693649244       -0.4458654071        7.6436200487
  H        13.9598475921        2.7327107557        5.9632996202
  H        16.6334725076        1.3881995764        9.0513765583
  H        14.1003641785       -1.4369027284        7.0103634867
  H        10.7877139416       11.7878358293        4.6603563844
  H        11.5868950391       10.0215048212        3.1211528211
     646
 i =      173, E =         0.0028408541
 Rh         3.6519109058        0.2421059824        4.8233103967
  P         5.3944525476        0.6391979878        6.2919687112
  C         5.2318746273       -0.3138770631        7.8715230054
  C         4.8472493841       -1.7897594487        7.6504799194
  C         4.5346399651       -2.4571733097        9.0002898413
  C         5.7157814651       -2.3453814466        9.9745586375
  C         6.1804111847       -0.8909602089       10.1428014304
  C         6.4569218678       -0.2059150490        8.7929168884
  C         5.6697118755        2.4069006781        6.8132845136
  C         4.6321993325        2.8281616939        7.8769709477
  C         4.6533243805        4.3358861801        8.1746719124
  C         4.5527678140        5.1694395270        6.8943600195
  C         5.6858282838        4.8046592810        5.9325639302
  C         5.6309408019        3.3156661125        5.5650058110
  C         7.0082698080        0.1014292856        5.5230052931
  C         6.9795390887        0.2375896821        3.9910284779
  P         5.3169842571       -0.2380548891        3.2971780800
  C         5.4880836627       -2.0240346065        2.7962229813
  C         4.4071077213       -2.4048027556        1.7640281172
  C         4.3898510795       -3.9095709661        1.4712732689
  C         4.2550837187       -4.7409882517        2.7491359602
  C         5.4003342995       -4.4204403264        3.7142430482
  C         5.4306653430       -2.9213043562        4.0538087021
  C         5.1163011469        0.6970813747        1.7111366679
  C         4.8297451974        2.1953186201        1.9306550535
  C         4.4301662950        2.8465625935        0.5959388407
  C         5.5132097414        2.6521910719       -0.4761538799
  C         5.8865569806        1.1708334911       -0.6457370550
  C         6.2547531248        0.5074161462        0.6946131336
  C         1.8924490532        0.3178550099        3.4713274226
  C         1.9142194071       -0.9273361976        4.1057711567
  C         1.0820285254       -0.7830464175        5.3949113553
  C         1.9540616798        0.1529730405        6.2597478209
  C         1.9316334051        1.3970441564        5.6273726304
  C         1.0454064585        1.2412108186        4.3751842753
  C         0.0013999118        0.2201172526        4.9055177598
  H         4.3774392455        0.1756644778        8.3679279343
  H         5.6766734825       -2.3223205089        7.1610668278
  H         3.9846791806       -1.8615187418        6.9710058045
  H         4.2641337405       -3.5114066637        8.8464823437
  H         3.6492157596       -1.9721889158        9.4367694160
  H         5.4365878005       -2.7656867965       10.9517318413
  H         6.5517665770       -2.9561969157        9.6073852692
  H         7.0891133142       -0.8469913203       10.7615664880
  H         5.4015575049       -0.3229162065       10.6753757324
  H         6.7420606646        0.8415853138        8.9566196889
  H         7.3146495421       -0.6881186859        8.3064486914
  H         6.6763253652        2.4630572686        7.2588623196
  H         4.8080537079        2.2736156150        8.8084369514
  H         3.6249879546        2.5453134073        7.5399790053
  H         5.5839171892        4.5956665435        8.6996349592
  H         3.8306922718        4.5758651748        8.8635104428
  H         4.5749793655        6.2399985152        7.1410254369
  H         3.5848943313        4.9908878294        6.4026921424
  H         6.6524504021        5.0387536986        6.3988631426
  H         5.6315324364        5.4019070566        5.0127739503
  H         6.4627430794        3.0648370085        4.8900198207
  H         4.7048237472        3.1115170644        5.0031042993
  H         7.8449857962        0.6664787029        5.9587357151
  H         7.1517859906       -0.9496809804        5.8110737644
  H         7.7731244240       -0.3607135697        3.5209129659
  H         7.1485979519        1.2826460926        3.6954977589
  H         6.4790283015       -2.1360300935        2.3275018551
  H         4.5668923646       -1.8543319748        0.8269614230
  H         3.4170787811       -2.0994422692        2.1283820783
  H         5.3191991265       -4.1882125240        0.9541446857
  H         3.5668150567       -4.1273931852        0.7788303499
  H         4.2381476426       -5.8104491289        2.4991923388
  H         3.2898887216       -4.5293398676        3.2332405793
  H         5.3001840009       -4.9931702988        4.6481711719
  H         6.3574267945       -4.7200097114        3.2629513274
  H         6.2887693706       -2.7072875728        4.7068301343
  H         4.5296783805       -2.6600914575        4.6319066667
  H         4.2002336174        0.2525621327        1.2868568343
  H         5.7264631770        2.6933829987        2.3286742782
  H         4.0363241270        2.3258376077        2.6828604124
  H         4.2264513168        3.9161696206        0.7450366089
  H         3.4864065718        2.3977117015        0.2508914513
  H         6.4097775667        3.2254763094       -0.1978876018
  H         5.1691687357        3.0663300764       -1.4354073858
  H         6.7273767259        1.0671920726       -1.3474090140
  H         5.0353386928        0.6297211306       -1.0894401136
  H         7.1724469525        0.9623513359        1.0887442688
  H         6.4747470427       -0.5564409354        0.5381348805
  H         2.1286969639        0.5264095766        2.4316050928
  H         2.1796532049       -1.8846369817        3.6668971807
  H         0.7617302471       -1.7153387558        5.8659796531
  H         2.2451201451       -0.0560106223        7.2851328108
  H         2.2134134871        2.3556762748        6.0531670097
  H         0.6890576826        2.1692508812        3.9208869887
  H        -0.6148971090        0.6180323646        5.7181809325
  H        -0.6331431045       -0.1917203010        4.1136691902
 Rh        14.7217085879       19.6396965163       14.9724621247
  P        12.9667103939       19.2119818154       13.5215612602
  C        13.1403887279       20.1920172491       11.9564169424
  C        13.5151354717       21.6646919079       12.2116059307
  C        13.8470172824       22.3673707648       10.8849070495
  C        12.6837163747       22.2685721927        9.8882750328
  C        12.2421636650       20.8126837925        9.6771244981
  C        11.9380493690       20.0959079147       11.0054325642
  C        12.6809114029       17.4544554327       12.9703658692
  C        13.6988181457       17.0366647717       11.8876383039
  C        13.6207893624       15.5371137750       11.5602654370
  C        13.7749048590       14.6871167203       12.8244682901
  C        12.6801161490       15.0381237196       13.8364232041
  C        12.7232005847       16.5290792893       14.2071250372
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  F         7.6151549077        6.2391507462        1.1140406683
  F         7.4983872888        5.8849358074        3.2978404167
  F         5.7123814306        5.6254312690        2.0531279765
  F         0.7125725973       15.0296382653        6.2355264963
  F         0.8947815684       13.3791252056        7.6960982525
  F         2.6779392568       14.5684985686        7.1196868288
  C         1.5258179988       13.9970510127        6.6374899870
  H         7.6813850668        8.6039221179        0.8597357420
  H         5.1472292717        7.3480839936        4.0979756414
  H         5.4826417270       11.5285408237        3.1329432850
  H         2.8310916964        7.9286438257        3.5992325064
  H         0.5929464172        5.9710787899        6.7130586231
  H         3.2655918031        9.2114065360        7.6754238419
  H         5.5639693668        8.1764158386        6.7455714613
  H         8.0522151821       10.8353103770        9.0319454607
  H         5.4912851382       12.3838221325        5.9315864429
  H         2.9136434572       10.6198138478        2.7183284876
  H         0.5361249238       13.9374145674        4.0784009032
  H         3.2259517381       11.9552964789        6.7920947595
  F         9.9826836256        8.3886039124       18.4854825822
  C        11.2757887104        8.6559886604       18.8871505133
  F        11.9353025713        7.4689672377       18.8445526879
  F        11.2165273412        9.0173144274       20.2227410237
  C        11.8821676575        9.7242953132       18.0215138402
  C        11.4403087377       11.0395287243       18.2037234880
  C        11.8889966743       12.0127630078       17.3110465380
  C        12.7684576715       11.6831711129       16.2711178606
  C        13.2417965657       10.3735193442       16.0772970307
  C        12.7603930372        9.4008442961       16.9794969781
  B        14.1535981698        9.9815485050       14.7701729233
  C        15.1596720060       11.1866901107       14.3000438297
  C        15.7602918211       12.0583834194       15.2241539780
  C        16.7001965382       13.0216911141       14.8367903207
  C        17.0859873423       13.1505972832       13.4974729247
  C        16.5062398561       12.2859913911       12.5611756421
  C        15.5690498382       11.3255950594       12.9601408419
  C        16.8418974818       12.3970590380       11.0969939378
  F        17.8576506010       13.2700392626       10.8524944041
  F        15.7543473870       12.8160292368       10.3459304061
  F        17.2353838864       11.1905527080       10.5609973760
  C        17.2385268703       13.9424790673       15.8965789380
  F        16.2460737592       14.6727988146       16.4976114339
  F        18.1481238004       14.8383294706       15.4057410463
  F        17.8385352051       13.2541742078       16.9333478215
  C        13.0461001078        9.6453534027       13.5997330506
  C        12.4460476472       10.6744277818       12.8454927093
  C        11.4660904447       10.4123340661       11.8786529941
  C        11.0450155182        9.1064898365       11.6257078887
  C        11.6006006746        8.0760387417       12.3856643683
  C        12.5711010376        8.3420749823       13.3572491378
  C        11.0268506569        6.6993555418       12.2315303817
  F        10.4970319500        6.4947048044       10.9939182956
  F        11.9227687058        5.6913781771       12.4654808958
  F        10.0059252300        6.4973608467       13.1315844996
  C        10.9014822723       11.5271974375       11.0435507697
  F         9.7394821601       11.1775729175       10.4115571712
  F        10.6242083324       12.6594639472       11.7439006207
  F        11.7669697568       11.8876600325       10.0452186926
  C        15.1884385970        8.7400120355       15.0510778470
  C        15.8542798279        8.5657978134       16.2867920847
  C        16.8099382869        7.5593553245       16.4635285297
  C        17.1188296552        6.6722568357       15.4292685605
  C        16.4812593759        6.8321403269       14.2064765103
  C        15.5538654818        7.8619365366       14.0142129658
  C        17.4838057836        7.2670576497       17.7695358596
  F        17.6135247985        8.3294029725       18.6226651190
  F        16.7934549989        6.3144477223       18.4807012915
  F        18.7592509393        6.7892128585       17.5408728950
  C        11.3920366562       13.4254826929       17.4308782901
  F        10.7858261582       13.6684014443       18.6260347561
  F        10.4815281422       13.7337691740       16.4322242312
  F        12.4022942298       14.3404075178       17.3058538275
  F        17.6305170130        4.8723532044       13.4874654357
  F        17.3765819667        6.5267107196       12.0283606148
  F        15.6570646809        5.2692116835       12.6115194540
  C        16.7875987819        5.8811972689       13.0905049634
  H        10.7520305837       11.2956126205       19.0043631712
  H        13.0881553749       12.4718957281       15.5913324578
  H        13.0643796661        8.3630118709       16.8564287676
  H        15.4868291707       11.9925393237       16.2761438942
  H        17.7987740297       13.9108254557       13.1926880751
  H        15.1427382089       10.6713549027       12.2009564541
  H        12.7466132483       11.7081066959       13.0149713863
  H        10.2868021425        8.8978903308       10.8774183875
  H        12.9621496228        7.5108805950       13.9417372516
  H        15.6256970175        9.2289580160       17.1207263328
  H        17.8340114856        5.8715945860       15.5808771907
  H        15.1016315034        7.9740429587       13.0304152423
  F         2.7317249403       18.6332445743       20.0997777362
  C         2.7302589417       18.2905266994       18.7677372126
  F         1.4062638339       18.0786772996       18.4736594480
  F         3.3591655189       17.0876578510       18.6313519743
  C         3.3376004137       19.3554517498       17.9094254663
  C         4.1811856016       19.0332827398       16.8411448908
  C         4.6940027672       20.0194464097       15.9754740178
  C         4.2802123926       21.3391092560       16.2266966526
  C         3.4389515229       21.6636995795       17.2989757179
  C         2.9616842336       20.6776498879       18.1587026263
  C         2.9229736891       23.0650129361       17.4351738989
  F         2.3002033927       23.2918719044       18.6237104074
  F         3.9021844794       24.0235147961       17.3054288759
  F         1.9926738536       23.2934551832       16.4317941019
  B         5.6122176609       19.6352981618       14.6731837444
  C         6.6470284828       18.4074007557       14.9720371588
  C         7.2639647860       18.2739670397       16.2281290551
  C         8.2433725512       17.3072025652       16.4689091668
  C         8.6474349871       16.4205328655       15.4703981552
  C         8.0500773192       16.5412523089       14.2162995057
  C         7.0816566213       17.5223868430       13.9694468662
  C         8.4237803238       15.5963725060       13.1146893368
  F         7.3128863278       15.0303708324       12.5391172466
  F         9.2159786899       14.5687180963       13.5620071859
  F         9.1082063775       16.2276884978       12.1007298299
  C         8.7838571268       17.1545690675       17.8521687271
  F         8.9101116127       18.3673683179       18.4839768712
  F        10.0146142911       16.5639356594       17.8929370547
  F         7.9539045736       16.3792893281       18.6304117085
  C         6.6358784350       20.8462152649       14.2690059714
  C         7.2172589389       21.6928087325       15.2320452697
  C         8.1650229434       22.6644308775       14.8901323849
  C         8.5887171300       22.8208435692       13.5669444758
  C         8.0391409543       21.9737127512       12.6043541697
  C         7.0873839886       21.0089610688       12.9490868243
  C         8.4038469687       22.1118690240       11.1584246864
  F         8.8235236775       20.9052074618       10.6313147886
  F         9.3802030635       23.0320742994       10.9270213388
  F         7.3247031923       22.5145844188       10.4081344944
  C         8.6822645224       23.5843877061       15.9565972478
  F         9.6015369244       24.4687021865       15.4764709423
  F         7.6876543161       24.3576723815       16.5043983031
  F         9.2705709788       22.8895367949       17.0031161153
  C         4.5419413307       19.2815143773       13.4818633274
  C         4.0521161881       17.9787058003       13.2702479558
  C         3.0837597925       17.6949559105       12.2960271280
  C         2.5602718734       18.7113535367       11.4959322947
  C         3.0187892927       20.0180194762       11.7028809490
  C         3.9794906980       20.2948456007       12.6791379900
  C         2.3991484647       21.1143279477       10.8867365434
  F         2.3720393937       20.7826719722        9.5419463896
  F         1.0899293094       21.3346463353       11.2601131208
  F         3.0365972975       22.3175381944       10.9980582964
  C         2.5089084837       16.3088396888       12.1875893401
  F         1.9323042156       16.0519260476       10.9843177715
  F         3.4285702032       15.3140334161       12.3964146764
  F         1.5224381520       16.1209952484       13.1305550879
  H         4.4362061149       17.9885297042       16.6723493911
  H         4.6135306200       22.1388431930       15.5669354221
  H         2.2965592549       20.9282401941       18.9806423782
  H         6.9773907887       18.9407443472       17.0397958377
  H         9.3888044456       15.6533059623       15.6702891163
  H         6.6547184735       17.5890050600       12.9698311724
  H         6.9209921836       21.6028779868       16.2763609498
  H         9.3076057319       23.5865112494       13.2936462334
  H         6.6855294609       20.3714314540       12.1630243387
  H         4.4289527072       17.1594343475       13.8807112291
  H         1.8069064931       18.4931608830       10.7427403825
  H         4.2984214073       21.3262369638       12.8172779620
  F        15.6186546522        1.2751102906       -0.2930052149
  C        15.6626878022        1.6686748633        1.0283154498
  F        16.9916182727        1.8962877017        1.3185346896
  F        15.0496422643        2.8841178818        1.1016217219
  C        15.0750796599        0.6116057486        1.9254541971
  C        14.2219205009        0.9228814383        2.9907097498
  C        13.7255492765       -0.0724789322        3.8611526872
  C        14.1643374746       -1.3851379335        3.6256238426
  C        15.0052983062       -1.7038041159        2.5552347504
  C        15.4665422920       -0.7125740289        1.6884059964
  C        15.4678359783       -3.1195999605        2.3835350106
  F        16.0487071581       -3.3178182107        1.1712010888
  F        14.4476534775       -4.0413823108        2.4963614887
  F        16.4090606061       -3.4512323227        3.3542606192
  B        12.7849258418        0.2718221975        5.1559213733
  C        11.7368539261        1.4856071355        4.8437041771
  C        11.1274318299        1.5987179338        3.5794495509
  C        10.1463291385        2.5578988739        3.3185419277
  C         9.7312855926        3.4571736844        4.3052004957
  C        10.3176063909        3.3539839558        5.5641643932
  C        11.2918132544        2.3812807220        5.8297581505
  C         9.9536377919        4.3113651119        6.6596189036
  F        11.0921003290        4.8782443066        7.1885670283
  F         9.1360869554        5.3321052798        6.2381100012
  F         9.3075431755        3.6817793572        7.6988280968
  C         9.6230325573        2.7205179725        1.9276258601
  F         9.4967398898        1.5339961905        1.2494134818
  F         8.4022848276        3.3410272287        1.9033728977
  F        10.4693587451        3.4763320187        1.1631090142
  C        11.7801136185       -0.9596359998        5.5490358773
  C        11.2369500581       -1.8332156532        4.5892018743
  C        10.2893960767       -2.8058591512        4.9261509910
  C         9.8267702118       -2.9401764914        6.2382088458
  C        10.3411052798       -2.0707513628        7.1987703619
  C        11.2961222551       -1.1046126057        6.8606808492
  C         9.9460512979       -2.1877976640        8.6395474159
  F         9.5858712647       -0.9740398706        9.1687764363
  F         8.9076411142       -3.0503373616        8.8701859025
  F        11.0140076766       -2.6144498727        9.3929914454
  C         9.7507749305       -3.6982632007        3.8494566597
  F         8.8176006986       -4.5678870994        4.3252609698
  F        10.7196569697       -4.4526827968        3.2286545639
  F         9.1410636484       -2.9678167509        2.8539020187
  C        13.8515970702        0.6102572367        6.3524409754
  C        14.3438825017        1.9089650436        6.5632716003
  C        15.3259011205        2.1849734212        7.5246347379
  C        15.8700946967        1.1703384811        8.3084010809
  C        15.4107555194       -0.1347896948        8.0991887801
  C        14.4265395764       -0.4069140934        7.1432146049
  C        16.0229580467       -1.2295481053        8.9218639334
  F        16.0411682253       -0.8757808331       10.2617479547
  F        17.3295708916       -1.4916666588        8.5808806064
  F        15.3720744944       -2.4177319111        8.8046919606
  C        15.8740556525        3.5755382128        7.6212526757
  F        16.4770397193        3.8574292121        8.8088196392
  F        14.9136321465        4.5287901668        7.4080262139
  F        16.8299641626        3.7883366450        6.6591305688
  H        13.9394088682        1.9627403572        3.1490965177
  H        13.8417687086       -2.1860782751        4.2898644118
  H        16.1248337567       -0.9611658229        0.8604838765
  H        11.4243953038        0.9240054999        2.7773863620
  H         8.9908393467        4.2217429639        4.0918211132
  H        11.7170444327        2.3335884466        6.8313123445
  H        11.5554762373       -1.7583184146        3.5501850046
  H         9.0994374917       -3.7001480285        6.5046985666
  H        11.6692943038       -0.4457909379        7.6435874085
  H        13.9598621850        2.7327157806        5.9632521926
  H        16.6335161211        1.3881815649        9.0513011772
  H        14.1003240662       -1.4368903241        7.0103467075
  H        10.7874143443       11.7881026604        4.6587697884
  H        11.5866127141       10.0206153100        3.1209809472
     646
 i =      174, E =         0.0001676047
 Rh         3.6519739132        0.2421162903        4.8233308573
  P         5.3945017392        0.6392108496        6.2920096863
  C         5.2319055972       -0.3139855519        7.8714656464
  C         4.8474327505       -1.7898057381        7.6504675492
  C         4.5346736758       -2.4573562541        9.0000108519
  C         5.7157428954       -2.3456665455        9.9743791800
  C         6.1804063693       -0.8912161867       10.1428461239
  C         6.4568704645       -0.2059946281        8.7929952123
  C         5.6697445201        2.4069194858        6.8133270081
  C         4.6321414292        2.8281864033        7.8769798918
  C         4.6537152413        4.3359715781        8.1747069900
  C         4.5528453492        5.1694641175        6.8944284148
  C         5.6856748998        4.8046989347        5.9323468457
  C         5.6310982886        3.3156124965        5.5649788124
  C         7.0083917008        0.1015733651        5.5230176740
  C         6.9795046517        0.2377941484        3.9910569319
  P         5.3170777805       -0.2380937441        3.2971852294
  C         5.4880318134       -2.0240244376        2.7963678355
  C         4.4074626232       -2.4049760301        1.7640501648
  C         4.3899221655       -3.9095997092        1.4715627812
  C         4.2552533320       -4.7407599406        2.7493712171
  C         5.4004540283       -4.4203103890        3.7142359425
  C         5.4308806081       -2.9213799731        4.0537141775
  C         5.1162629368        0.6970490034        1.7111549447
  C         4.8295913962        2.1952409300        1.9307981176
  C         4.4300490801        2.8466394647        0.5960185679
  C         5.5134025443        2.6524393315       -0.4760649908
  C         5.8865069093        1.1708689435       -0.6457511377
  C         6.2546131316        0.5073154146        0.6945794016
  C         1.8925381895        0.3178375935        3.4713018170
  C         1.9142444666       -0.9272796557        4.1058740564
  C         1.0820853106       -0.7828188700        5.3949695402
  C         1.9541223378        0.1531866499        6.2597405371
  C         1.9317655883        1.3972264955        5.6272766733
  C         1.0455088278        1.2413531180        4.3750773920
  C         0.0014567266        0.2203063346        4.9055540041
  H         4.3773888651        0.1755486872        8.3679063046
  H         5.6768146235       -2.3223262189        7.1609669789
  H         3.9847493795       -1.8615756491        6.9707188219
  H         4.2641291103       -3.5115668202        8.8461727501
  H         3.6491552045       -1.9723780426        9.4365639475
  H         5.4365138979       -2.7660368096       10.9515312237
  H         6.5517155408       -2.9564019593        9.6072067101
  H         7.0889941622       -0.8473181034       10.7615563839
  H         5.4014652343       -0.3232532067       10.6754325511
  H         6.7419225586        0.8414800711        8.9568405874
  H         7.3146695213       -0.6880955822        8.3065285161
  H         6.6763138762        2.4630935206        7.2589151147
  H         4.8079076074        2.2735998063        8.8084117900
  H         3.6250039114        2.5455811652        7.5399035270
  H         5.5842761937        4.5955601488        8.6994611887
  H         3.8310916565        4.5760290385        8.8637575888
  H         4.5751846929        6.2400630168        7.1410742444
  H         3.5849115694        4.9909972179        6.4029353419
  H         6.6524958230        5.0389196108        6.3984893755
  H         5.6311823931        5.4017652820        5.0126112733
  H         6.4627008567        3.0648272466        4.8901026823
  H         4.7047912998        3.1113774328        5.0030722605
  H         7.8449955508        0.6665849199        5.9587082569
  H         7.1519224073       -0.9496192628        5.8110953310
  H         7.7732557740       -0.3606500091        3.5208816827
  H         7.1485906932        1.2826717124        3.6955102921
  H         6.4793414560       -2.1360125935        2.3275127052
  H         4.5672004878       -1.8544626240        0.8269073526
  H         3.4171973567       -2.0993364863        2.1283423528
  H         5.3192769708       -4.1884069457        0.9542340388
  H         3.5667981134       -4.1274822476        0.7789745969
  H         4.2381337884       -5.8105826222        2.4994525688
  H         3.2900379979       -4.5292121475        3.2335164423
  H         5.3004946746       -4.9932024616        4.6483641522
  H         6.3576178478       -4.7199899818        3.2629360522
  H         6.2890256449       -2.7072154643        4.7069314706
  H         4.5298261315       -2.6600535254        4.6320101998
  H         4.2001285495        0.2524610312        1.2869222557
  H         5.7262735566        2.6933061694        2.3288837908
  H         4.0361415270        2.3256758405        2.6828169312
  H         4.2264716353        3.9161701339        0.7452054442
  H         3.4865113912        2.3978218837        0.2508419308
  H         6.4099036588        3.2253973527       -0.1974552785
  H         5.1695198708        3.0666394354       -1.4351082332
  H         6.7272735838        1.0672633370       -1.3473788506
  H         5.0352141498        0.6300033352       -1.0894517296
  H         7.1724066299        0.9621280888        1.0887217190
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 Rh        14.7217650064       19.6397403765       14.9724264723
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 Rh         5.9491118353       10.0590465735       14.9886346121
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  H        11.6045694278        7.4339547504        5.4921747758
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  F         7.3491706418       10.8246236147       -0.2361660278
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  C         6.4461896455        7.8480850545        2.4611737883
  C         5.5488126471        8.1619431112        3.4954263226
  C         5.1601770930        9.4858581008        3.7756769694
  C         5.7359498086       10.4836688056        2.9583079529
  B         4.2409757761        9.9000189812        5.0775078233
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  C         2.5880539878        7.8525302704        4.6585693258
  C         1.6597534192        6.8796269592        5.0584892527
  C         1.2952899592        6.7383924932        6.3996000269
  C         1.8878287687        7.6071954118        7.3251263073
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  F         2.6870824728        7.1596328024        9.5339211807
  F         1.1747684396        8.7181617687        9.3120360880
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  F         0.1940847318        5.0746359159        4.3302454222
  F         0.6518626875        6.7257206167        2.9280991507
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  C         5.8953688453        9.1916067882        6.9535517144
  C         6.8565046872        9.3863068570        7.9461025103
  C         7.3172788475       10.6706390138        8.2508726798
  C         6.8193482515       11.7410456148        7.4917898187
  C         5.8576362584       11.5264778921        6.4937755737
  C         7.3346249043       13.1427588987        7.6993849201
  F         7.8478369289       13.3444765393        8.9475236341
  F         6.3558321248       14.0812025375        7.4844770356
  F         8.3399496390       13.4813125273        6.8169598491
  C         7.2736268516        8.1353868536        8.6617680171
  F         8.4345178389        8.2298842459        9.3839683512
  F         7.4253913580        7.1002428285        7.7768553962
  F         6.2867737989        7.7315641395        9.5347843437
  C         3.2333977833       11.1428641750        4.7868421609
  C         2.6323058952       11.2901058523        3.5287080612
  C         1.6669191737       12.2672649009        3.2886797841
  C         1.2682884593       13.1625712125        4.2816608356
  C         1.8562330728       13.0325829523        5.5376774202
  C         2.8068808005       12.0324019540        5.7893574064
  C         1.1055908013       12.3797425728        1.9153962225
  F         1.0153375260       11.1552864972        1.3118557151
  F         1.8932877402       13.1555078632        1.0975583284
  F        -0.1575821564       12.9026282506        1.9036184483
  C         6.8215869981        6.4138170247        2.2181450812
  F         7.6152128825        6.2390759260        1.1139736715
  F         7.4985225787        5.8847652950        3.2979825676
  F         5.7121529940        5.6251917125        2.0530584629
  F         0.7126404015       15.0295509753        6.2355135817
  F         0.8948305150       13.3791430119        7.6960042897
  F         2.6778793542       14.5684471939        7.1196285263
  C         1.5257549869       13.9972241802        6.6376890310
  H         7.6812946301        8.6038952815        0.8596116163
  H         5.1473436868        7.3481544992        4.0980701089
  H         5.4827005202       11.5285340102        3.1330021885
  H         2.8311817151        7.9286235539        3.5992429260
  H         0.5928904092        5.9709818440        6.7130993448
  H         3.2654650279        9.2114721160        7.6753484825
  H         5.5638450991        8.1764093370        6.7456786312
  H         8.0522366215       10.8352905074        9.0318616648
  H         5.4913078747       12.3838453730        5.9315489085
  H         2.9136959396       10.6198113521        2.7182669299
  H         0.5361578361       13.9372544301        4.0784447154
  H         3.2260506607       11.9553675070        6.7921400007
  F         9.9828053454        8.3886636515       18.4855080503
  C        11.2757622582        8.6557666824       18.8872104451
  F        11.9352051432        7.4691820452       18.8445378607
  F        11.2165453324        9.0173165371       20.2226836096
  C        11.8821318131        9.7243294757       18.0215523695
  C        11.4403148285       11.0395514377       18.2037497040
  C        11.8890036466       12.0127991163       17.3110317515
  C        12.7684017604       11.6831892811       16.2711743105
  C        13.2418064926       10.3734387626       16.0772927651
  C        12.7604275014        9.4008536161       16.9794050408
  B        14.1534848338        9.9815553528       14.7701588869
  C        15.1596950534       11.1867143214       14.3000903449
  C        15.7602738822       12.0583629473       15.2240783019
  C        16.7002409238       13.0217304921       14.8367238372
  C        17.0860008606       13.1506361476       13.4976164848
  C        16.5061655321       12.2859002834       12.5612102500
  C        15.5690436573       11.3255480737       12.9600591736
  C        16.8420966673       12.3971628748       11.0967555477
  F        17.8573923346       13.2698156854       10.8526004080
  F        15.7543805075       12.8159910671       10.3460030680
  F        17.2353295324       11.1906610589       10.5611156968
  C        17.2384153979       13.9423198096       15.8965273247
  F        16.2460283616       14.6728588219       16.4976658271
  F        18.1482730601       14.8384639979       15.4056953075
  F        17.8385902321       13.2541545816       16.9334029939
  C        13.0462942926        9.6454076969       13.5999364745
  C        12.4459077576       10.6744806122       12.8453546550
  C        11.4659604661       10.4124792709       11.8784803252
  C        11.0450947301        9.1066954523       11.6257281929
  C        11.6005899221        8.0759005707       12.3857018105
  C        12.5710484859        8.3418345421       13.3573083508
  C        11.0267912555        6.6993230257       12.2314018617
  F        10.4971575789        6.4947465708       10.9941200936
  F        11.9227414158        5.6914145264       12.4654828193
  F        10.0059515667        6.4973678550       13.1315727697
  C        10.9017549040       11.5265027357       11.0439049478
  F         9.7392351482       11.1775942415       10.4113403289
  F        10.6240133220       12.6599757863       11.7440886859
  F        11.7671636072       11.8878654597       10.0448115488
  C        15.1885997947        8.7397570865       15.0510106796
  C        15.8541845682        8.5658703857       16.2868158190
  C        16.8096916669        7.5595689424       16.4632789133
  C        17.1189081348        6.6720428046       15.4289263400
  C        16.4813932630        6.8320598517       14.2066700937
  C        15.5537948220        7.8620934479       14.0145514147
  C        17.4841046379        7.2671155917       17.7705385747
  F        17.6133702007        8.3288186064       18.6219940369
  F        16.7936788247        6.3147951477       18.4803026708
  F        18.7589948677        6.7893073506       17.5408147906
  C        11.3920920716       13.4253283036       17.4308383341
  F        10.7857564062       13.6684731625       18.6261459639
  F        10.4814789467       13.7338147369       16.4321890831
  F        12.4023429306       14.3404849710       17.3058517943
  F        17.6307034254        4.8721225491       13.4875099851
  F        17.3767064078        6.5267674622       12.0281598444
  F        15.6566955711        5.2689229854       12.6112585968
  C        16.7876412547        5.8814670903       13.0907568359
  H        10.7520860762       11.2956051075       19.0043836646
  H        13.0881578782       12.4719011730       15.5913147213
  H        13.0643350489        8.3629872618       16.8564040729
  H        15.4867875434       11.9925483528       16.2761876813
  H        17.7987724521       13.9108083128       13.1926817400
  H        15.1427774627       10.6713610391       12.2009994822
  H        12.7466281111       11.7081077642       13.0149858508
  H        10.2867943075        8.8978605527       10.8773360234
  H        12.9620431663        7.5109887673       13.9417291747
  H        15.6256981675        9.2288994046       17.1206945005
  H        17.8339925861        5.8717235985       15.5808447522
  H        15.1014957245        7.9739980508       13.0302705305
  F         2.7317382406       18.6332132050       20.0997027209
  C         2.7302255434       18.2905912149       18.7677450370
  F         1.4062779591       18.0786796265       18.4736627926
  F         3.3592037902       17.0876159555       18.6313478260
  C         3.3376333059       19.3552021565       17.9093903646
  C         4.1810621602       19.0329130755       16.8413601864
  C         4.6942317303       20.0194981469       15.9751766454
  C         4.2800989138       21.3392225720       16.2268780664
  C         3.4387479994       21.6639099695       17.2991461717
  C         2.9617570641       20.6779622267       18.1584891064
  C         2.9236466321       23.0640537560       17.4344685185
  F         2.2994105381       23.2923745714       18.6248270842
  F         3.9023705692       24.0238939028       17.3054452089
  F         1.9923165409       23.2937093974       16.4315944832
  B         5.6121878494       19.6352610553       14.6732827505
  C         6.6470473732       18.4073342774       14.9720544695
  C         7.2639172280       18.2739179865       16.2280670445
  C         8.2433771263       17.3071621590       16.4688448013
  C         8.6475106040       16.4205024036       15.4704253261
  C         8.0500689081       16.5412859086       14.2163757958
  C         7.0816095340       17.5223890037       13.9694955276
  C         8.4237441783       15.5962648082       13.1144645038
  F         7.3130763483       15.0305007272       12.5392684494
  F         9.2159604949       14.5687572984       13.5620073477
  F         9.1081172707       16.2276137891       12.1008670045
  C         8.7839220930       17.1546506791       17.8523043152
  F         8.9100854842       18.3672156450       18.4838672588
  F        10.0145623475       16.5639427994       17.8928959536
  F         7.9539060310       16.3792798976       18.6303944798
  C         6.6359655974       20.8462369317       14.2689330584
  C         7.2173117576       21.6927801722       15.2320096792
  C         8.1649882905       22.6643480617       14.8900709312
  C         8.5887420470       22.8208900691       13.5669173110
  C         8.0391542113       21.9737353643       12.6044870415
  C         7.0873341443       21.0088767605       12.9491830856
  C         8.4039550563       22.1119894678       11.1581898671
  F         8.8235015684       20.9052264806       10.6313597155
  F         9.3800389576       23.0319019457       10.9271074829
  F         7.3247830815       22.5145285059       10.4082221692
  C         8.6822444529       23.5844503786       15.9566998937
  F         9.6015577412       24.4687146288       15.4764423703
  F         7.6877158265       24.3576040026       16.5043398302
  F         9.2705661713       22.8895333429       17.0030941739
  C         4.5417857365       19.2815599595       13.4816822652
  C         4.0521212353       17.9788494797       13.2702241579
  C         3.0837917934       17.6950773087       12.2960105560
  C         2.5601953832       18.7112529274       11.4958309432
  C         3.0188665332       20.0177907245       11.7029671510
  C         3.9796197427       20.2947213126       12.6792986214
  C         2.3991298369       21.1150351654       10.8866523860
  F         2.3720400360       20.7825912328        9.5419527456
  F         1.0900950557       21.3345579182       11.2600437352
  F         3.0362919825       22.3169817092       10.9980310047
  C         2.5088939510       16.3087486468       12.1875272190
  F         1.9323243035       16.0519485446       10.9843433606
  F         3.4285593807       15.3140636938       12.3964127446
  F         1.5224118643       16.1210012853       13.1305835953
  H         4.4361600412       17.9887080426       16.6723601422
  H         4.6136213660       22.1388813462       15.5669295622
  H         2.2964653167       20.9282248121       18.9806542335
  H         6.9773285381       18.9407195391       17.0398641284
  H         9.3888241924       15.6533921957       15.6702583401
  H         6.6546674400       17.5889528173       12.9698368887
  H         6.9210361935       21.6028119024       16.2764228475
  H         9.3075276928       23.5865006631       13.2936487299
  H         6.6855565228       20.3713871365       12.1630227160
  H         4.4289653964       17.1593489291       13.8807775367
  H         1.8070136780       18.4931806803       10.7427979631
  H         4.2984313849       21.3262745985       12.8172826601
  F        15.6186730407        1.2751160112       -0.2931294787
  C        15.6625998724        1.6683732905        1.0284408460
  F        16.9918209337        1.8963652280        1.3185558907
  F        15.0495119164        2.8843948136        1.1016139015
  C        15.0751214040        0.6116333268        1.9254110416
  C        14.2219499082        0.9228966395        2.9906016702
  C        13.7254511347       -0.0724843415        3.8612157614
  C        14.1642795329       -1.3852019996        3.6256166681
  C        15.0053198498       -1.7038239979        2.5552061936
  C        15.4665698180       -0.7125059130        1.6884412023
  C        15.4678669178       -3.1196175787        2.3834789898
  F        16.0486671865       -3.3178021487        1.1712778564
  F        14.4476432689       -4.0413909647        2.4963700909
  F        16.4090591639       -3.4512360511        3.3542632998
  B        12.7848906706        0.2718586086        5.1558675123
  C        11.7369859874        1.4855008062        4.8437165493
  C        11.1274176504        1.5987283906        3.5793443129
  C        10.1462883385        2.5579141128        3.3184264974
  C         9.7313256214        3.4571637945        4.3052847191
  C        10.3175372507        3.3541222933        5.5642717131
  C        11.2917414471        2.3813881440        5.8297712521
  C         9.9537750710        4.3111088481        6.6592605632
  F        11.0922310258        4.8783898869        7.1887109740
  F         9.1359854058        5.3322709457        6.2381165555
  F         9.3073443267        3.6817092682        7.6991131597
  C         9.6229928066        2.7205727556        1.9276651519
  F         9.4967308404        1.5339794862        1.2493905834
  F         8.4023989881        3.3409434953        1.9033785345
  F        10.4693476091        3.4763263189        1.1631122622
  C        11.7800649594       -0.9596142337        5.5490257958
  C        11.2369130073       -1.8331252930        4.5892329851
  C        10.2893626862       -2.8058552248        4.9261965732
  C         9.8267665181       -2.9402351305        6.2382113045
  C        10.3411068929       -2.0707610671        7.1987264276
  C        11.2961126915       -1.1045847357        6.8606345870
  C         9.9460173171       -2.1877663309        8.6396502004
  F         9.5859026568       -0.9741381633        9.1687209666
  F         8.9076754681       -3.0503086154        8.8701671463
  F        11.0139767716       -2.6144401448        9.3929643102
  C         9.7507506705       -3.6983293715        3.8494148492
  F         8.8176515301       -4.5678384906        4.3252373742
  F        10.7196062728       -4.4526425124        3.2286908694
  F         9.1410727249       -2.9678311711        2.8539181083
  C        13.8516115177        0.6101774195        6.3524537375
  C        14.3439261333        1.9090042035        6.5632846682
  C        15.3258390473        2.1849812624        7.5245530772
  C        15.8701127251        1.1702137710        8.3084198334
  C        15.4108331384       -0.1347404132        8.0992422096
  C        14.4264843801       -0.4068158936        7.1431310629
  C        16.0229073292       -1.2295436239        8.9218266700
  F        16.0411739349       -0.8757749243       10.2617631511
  F        17.3296106184       -1.4916780910        8.5808824093
  F        15.3720849450       -2.4177388082        8.8047062849
  C        15.8739331456        3.5757418663        7.6211786894
  F        16.4770676135        3.8574146052        8.8088401415
  F        14.9138383735        4.5285520492        7.4081036510
  F        16.8299516956        3.7883095149        6.6591484970
  H        13.9393494687        1.9627413942        3.1490600776
  H        13.8416798347       -2.1860715849        4.2897780247
  H        16.1249333363       -0.9611587937        0.8605531153
  H        11.4244049289        0.9240692509        2.7774004838
  H         8.9907996151        4.2217650654        4.0918109578
  H        11.7170590854        2.3335969329        6.8313104233
  H        11.5553793542       -1.7582212800        3.5501189587
  H         9.0995397710       -3.7001720567        6.5047029186
  H        11.6692669601       -0.4457436998        7.6435863296
  H        13.9598694430        2.7327177517        5.9632316878
  H        16.6335208564        1.3881692659        9.0512531658
  H        14.1002911324       -1.4369383610        7.0103343421
  H        10.7873428289       11.7882991883        4.6580071874
  H        11.5864714390       10.0201703690        3.1208955345
     646
 i =      175, E =         0.0028028992
 Rh         3.6521078679        0.2421380028        4.8233687723
  P         5.3946142760        0.6392332424        6.2920740669
  C         5.2319564990       -0.3141361144        7.8714337245
  C         4.8476188066       -1.7899323885        7.6502313375
  C         4.5346894793       -2.4576853930        8.9995632079
  C         5.7156618947       -2.3462019457        9.9740630720
  C         6.1802760102       -0.8917345715       10.1428569079
  C         6.4567884946       -0.2061754458        8.7931548773
  C         5.6697955303        2.4069445646        6.8134118279
  C         4.6321536506        2.8283119011        7.8769907655
  C         4.6542439625        4.3360769303        8.1747971673
  C         4.5530406095        5.1695511388        6.8945529672
  C         5.6855177589        4.8047187902        5.9320631725
  C         5.6311050154        3.3155393858        5.5649633835
  C         7.0085460366        0.1017657689        5.5230331790
  C         6.9795720695        0.2379650063        3.9910707953
  P         5.3172028452       -0.2381289846        3.2972246463
  C         5.4883263176       -2.0240393347        2.7964754926
  C         4.4078640437       -2.4051265948        1.7641216397
  C         4.3901071707       -3.9097320176        1.4719067981
  C         4.2554850102       -4.7406516204        2.7497907712
  C         5.4008271648       -4.4202163420        3.7143778226
  C         5.4312545179       -2.9213834050        4.0537862934
  C         5.1161265264        0.6969443944        1.7111840996
  C         4.8293418241        2.1950985126        1.9309646634
  C         4.4300181783        2.8467646117        0.5961863577
  C         5.5136768527        2.6527341773       -0.4757058009
  C         5.8863999998        1.1710555646       -0.6457196052
  C         6.2543596976        0.5071890578        0.6945059376
  C         1.8926915239        0.3178214009        3.4712829723
  C         1.9143105171       -0.9271898748        4.1060464810
  C         1.0821458512       -0.7824556786        5.3951307170
  C         1.9542650327        0.1536266369        6.2597542746
  C         1.9320096607        1.3975739954        5.6270537251
  C         1.0457441491        1.2415597109        4.3748995196
  C         0.0016002822        0.2206853298        4.9055620151
  H         4.3773200131        0.1752959966        8.3678411852
  H         5.6771136758       -2.3223417589        7.1607689142
  H         3.9850207221       -1.8616761095        6.9702530894
  H         4.2641246899       -3.5118965176        8.8455421390
  H         3.6490878025       -1.9727811494        9.4361264712
  H         5.4363676962       -2.7667331545       10.9511187753
  H         6.5516405117       -2.9568306304        9.6068387081
  H         7.0888304792       -0.8479645429       10.7615846080
  H         5.4012999944       -0.3239352409       10.6755424468
  H         6.7416509665        0.8412859056        8.9572784952
  H         7.3147016964       -0.6880416455        8.3066904478
  H         6.6763060318        2.4631638057        7.2590375780
  H         4.8076209656        2.2735563524        8.8083755797
  H         3.6249650875        2.5460992984        7.5397373737
  H         5.5850993023        4.5953773270        8.6991662113
  H         3.8319706949        4.5763441988        8.8641885785
  H         4.5755922797        6.2401744954        7.1411685955
  H         3.5849109680        4.9911993903        6.4034198084
  H         6.6524953056        5.0392434909        6.3977045852
  H         5.6304738895        5.4015365763        5.0121989505
  H         6.4627388963        3.0647765716        4.8901751935
  H         4.7048338946        3.1111116092        5.0030620584
  H         7.8450769556        0.6668415431        5.9586834103
  H         7.1521908853       -0.9494374383        5.8111159168
  H         7.7734064572       -0.3604312203        3.5208810322
  H         7.1485819873        1.2828374136        3.6955031236
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  C         6.9939462015        8.8483038075        1.6644438903
  C         6.4462697699        7.8481016815        2.4611079060
  C         5.5489521468        8.1619696365        3.4954997290
  C         5.1601837483        9.4859302720        3.7758342916
  C         5.7360539395       10.4836723201        2.9583303349
  B         4.2410033201        9.9000407135        5.0775378183
  C         3.2167727727        8.7136403760        5.5720958238
  C         2.5880442798        7.8524334364        4.6585956539
  C         1.6597257364        6.8795476919        5.0585135005
  C         1.2953080260        6.7383778255        6.3995842743
  C         1.8877289590        7.6071425198        7.3251177955
  C         2.8228606456        8.5678106178        6.9166518397
  C         1.5835840924        7.5071526949        8.7951066053
  F         0.6299456583        6.5795220520        9.0908272407
  F         2.6870892265        7.1596328059        9.5339537025
  F         1.1747446058        8.7182026017        9.3120993731
  C         1.1567203526        5.9767449276        3.9700756598
  F         2.1809523652        5.2388837402        3.4405264079
  F         0.1940719869        5.0746160642        4.3302376925
  F         0.6518221049        6.7257512358        2.9280213809
  C         5.3432484701       10.2470817302        6.2222501696
  C         5.8952875403        9.1916662029        6.9537160593
  C         6.8565606746        9.3864149528        7.9462063080
  C         7.3173705433       10.6706587496        8.2508841005
  C         6.8194123630       11.7409594884        7.4918540485
  C         5.8576798619       11.5264869200        6.4938118173
  C         7.3346627817       13.1427586647        7.6994136227
  F         7.8478183252       13.3444900081        8.9474716103
  F         6.3558252148       14.0812497137        7.4844792145
  F         8.3399593162       13.4813315436        6.8169681272
  C         7.2736765030        8.1353970311        8.6618201448
  F         8.4344508223        8.2298739888        9.3839137524
  F         7.4253946521        7.1002191558        7.7768497699
  F         6.2867780405        7.7315497709        9.5347915487
  C         3.2334950259       11.1428970051        4.7868699453
  C         2.6323393572       11.2901673532        3.5286962072
  C         1.6668690157       12.2673306992        3.2887112346
  C         1.2682187123       13.1625521529        4.2816813513
  C         1.8562090705       13.0325988006        5.5375993483
  C         2.8069472988       12.0324866695        5.7893289537
  C         1.1055787237       12.3797456495        1.9153727391
  F         1.0153322233       11.1552737274        1.3118546809
  F         1.8932903829       13.1555130740        1.0975712674
  F        -0.1575831709       12.9026311528        1.9036416325
  C         6.8216074209        6.4138252165        2.2181280899
  F         7.6151708563        6.2390953142        1.1140130983
  F         7.4985219142        5.8847557178        3.2979796373
  F         5.7121626381        5.6251818468        2.0530589944
  F         0.7126347502       15.0295604969        6.2355165121
  F         0.8948268626       13.3791493972        7.6960058780
  F         2.6778802858       14.5684532556        7.1196299569
  C         1.5257482472       13.9972440528        6.6377112822
  H         7.6810073315        8.6038834862        0.8594916093
  H         5.1475310128        7.3481543809        4.0983211039
  H         5.4828101798       11.5286132434        3.1331098479
  H         2.8313437961        7.9285543674        3.5991869258
  H         0.5929886476        5.9710164033        6.7130755907
  H         3.2652784956        9.2117026304        7.6753377380
  H         5.5635990981        8.1763760178        6.7458922491
  H         8.0522898732       10.8352607172        9.0317073026
  H         5.4913638659       12.3838645662        5.9314981492
  H         2.9137884141       10.6198355112        2.7181990079
  H         0.5360637718       13.9371031877        4.0784961891
  H         3.2261951861       11.9555034384        6.7920997629
  F         9.9828358216        8.3886807065       18.4855095796
  C        11.2757466533        8.6557238812       18.8872326786
  F        11.9351947301        7.4692040705       18.8445334138
  F        11.2165550409        9.0173141309       20.2226671903
  C        11.8821036541        9.7243350410       18.0215868274
  C        11.4403408546       11.0395654603       18.2037891639
  C        11.8890174453       12.0127945885       17.3110360601
  C        12.7683790898       11.6831771668       16.2711888881
  C        13.2417936116       10.3734319699       16.0772651187
  C        12.7604027463        9.4008530063       16.9793552962
  B        14.1534469870        9.9815336129       14.7701716575
  C        15.1596890199       11.1867013154       14.3000923260
  C        15.7602469579       12.0583620785       15.2240561875
  C        16.7002385645       13.0217388849       14.8367400513
  C        17.0859944103       13.1506227623       13.4976450274
  C        16.5061464514       12.2858598399       12.5611991997
  C        15.5690463304       11.3255069187       12.9600505303
  C        16.8420975644       12.3971578643       11.0967342642
  F        17.8573952546       13.2698099734       10.8525996404
  F        15.7543813805       12.8159867314       10.3460106998
  F        17.2353245941       11.1906690271       10.5611267369
  C        17.2383697589       13.9422773033       15.8965060403
  F        16.2460290088       14.6728635840       16.4976689985
  F        18.1483039507       14.8384907201       15.4056868782
  F        17.8386029995       13.2541503960       16.9334141275
  C        13.0462859092        9.6454354915       13.5999765560
  C        12.4458702173       10.6744548676       12.8453352951
  C        11.4659385069       10.4124836464       11.8784475451
  C        11.0451106827        9.1067373439       11.6256884446
  C        11.6005354311        8.0758988810       12.3856815880
  C        12.5709864031        8.3418504536       13.3573700352
  C        11.0267577221        6.6992813139       12.2313398736
  F        10.4972098631        6.4947761530       10.9942085239
  F        11.9227282083        5.6914308690       12.4654874513
  F        10.0059530670        6.4973720424       13.1315736640
  C        10.9017993446       11.5263756616       11.0439302743
  F         9.7392265982       11.1776160959       10.4113314337
  F        10.6239845952       12.6600539900       11.7441105061
  F        11.7671631135       11.8879003523       10.0447904748
  C        15.1885650657        8.7397087409       15.0510097652
  C        15.8541184227        8.5658844897       16.2868215358
  C        16.8096805096        7.5595707389       16.4632121163
  C        17.1189587576        6.6720423999       15.4288536711
  C        16.4813782841        6.8320653307       14.2066942992
  C        15.5537351663        7.8620295402       14.0145829919
  C        17.4841550761        7.2671066036       17.7707047823
  F        17.6133526731        8.3287642153       18.6219217929
  F        16.7937022197        6.3148414969       18.4802366242
  F        18.7589527689        6.7893264487       17.5407963332
  C        11.3920962996       13.4253056691       17.4308408730
  F        10.7857589965       13.6684904566       18.6261420254
  F        10.4814816413       13.7338250185       16.4321947350
  F        12.4023381416       14.3404929473       17.3058548981
  F        17.6307362557        4.8720749180       13.4875066693
  F        17.3767170857        6.5267719567       12.0281333476
  F        15.6566411086        5.2688792610       12.6112209042
  C        16.7876578573        5.8815174419       13.0908065066
  H        10.7521762392       11.2956055307       19.0044425380
  H        13.0881409207       12.4718750661       15.5913160028
  H        13.0642578976        8.3629203174       16.8563450135
  H        15.4867294006       11.9925773580       16.2761770230
  H        17.7987766694       13.9107925367       13.1926770107
  H        15.1428157012       10.6713201186       12.2010171915
  H        12.7466290301       11.7081010322       13.0149885992
  H        10.2868842238        8.8978494510       10.8772748271
  H        12.9619206153        7.5109875376       13.9418471784
  H        15.6256564472        9.2288687550       17.1207039145
  H        17.8340869648        5.8718301307       15.5807958438
  H        15.1013679415        7.9738892701       13.0303163234
  F         2.7317575090       18.6332037981       20.0996137939
  C         2.7301267943       18.2905423223       18.7678157141
  F         1.4063013467       18.0786971771       18.4736691771
  F         3.3592228470       17.0876040182       18.6313485031
  C         3.3375857782       19.3552687856       17.9093816537
  C         4.1810479522       19.0329173118       16.8413502511
  C         4.6942375570       20.0195499209       15.9751887860
  C         4.2801318315       21.3392117384       16.2269459053
  C         3.4387330026       21.6638478306       17.2991813664
  C         2.9616696713       20.6780165796       18.1584679312
  C         2.9236660372       23.0639986952       17.4343894089
  F         2.2993763145       23.2923935026       18.6248946253
  F         3.9023821473       24.0239266949       17.3054590437
  F         1.9923046750       23.2937287580       16.4316091350
  B         5.6122035957       19.6352050052       14.6733037816
  C         6.6469571469       18.4073013695       14.9720570952
  C         7.2638726712       18.2738284102       16.2280955265
  C         8.2434178997       17.3070953668       16.4688659980
  C         8.6475696380       16.4205158528       15.4704142828
  C         8.0500812724       16.5412630268       14.2164004718
  C         7.0815715484       17.5223041274       13.9695226435
  C         8.4237142674       15.5962772637       13.1144407208
  F         7.3131132219       15.0305050001       12.5392782031
  F         9.2159830566       14.5687250126       13.5620025003
  F         9.1081146786       16.2275844779       12.1008715392
  C         8.7839295997       17.1546857421       17.8522975547
  F         8.9100817279       18.3671900946       18.4838596737
  F        10.0145658614       16.5639254040       17.8928814786
  F         7.9538869350       16.3792484244       18.6304166785
  C         6.6359999199       20.8461621965       14.2689379645
  C         7.2173873376       21.6927168844       15.2320263163
  C         8.1650114311       22.6643295469       14.8900749933
  C         8.5887134614       22.8209035210       13.5669126384
  C         8.0391575583       21.9737145885       12.6045001013
  C         7.0873672806       21.0088136801       12.9491913393
  C         8.4039509094       22.1119900453       11.1581884080
  F         8.8235066149       20.9052071331       10.6313514063
  F         9.3800431115       23.0319030399       10.9271011905
  F         7.3247881156       22.5145236431       10.4082223112
  C         8.6822069534       23.5844225333       15.9567229826
  F         9.6015916008       24.4687467682       15.4764206953
  F         7.6877319667       24.3575941265       16.5043274509
  F         9.2705766064       22.8895330848       17.0030988801
  C         4.5417760335       19.2815961955       13.4816758057
  C         4.0520981496       17.9788493287       13.2702150351
  C         3.0837860261       17.6950738494       12.2959742606
  C         2.5602132842       18.7112229015       11.4957751109
  C         3.0189255835       20.0177311748       11.7029658918
  C         3.9796294665       20.2947185342       12.6793014804
  C         2.3991255269       21.1152624499       10.8868428164
  F         2.3720202537       20.7825413148        9.5417964455
  F         1.0901586668       21.3345153150       11.2600186495
  F         3.0362228124       22.3168301015       10.9979663603
  C         2.5089186254       16.3087653916       12.1875291395
  F         1.9323059751       16.0519335636       10.9843213339
  F         3.4285659129       15.3140402393       12.3964101099
  F         1.5223818366       16.1209919800       13.1305967850
  H         4.4361457598       17.9886567658       16.6723413202
  H         4.6137475579       22.1389134027       15.5669987713
  H         2.2963935101       20.9281892269       18.9805295585
  H         6.9772177891       18.9406340710       17.0399498681
  H         9.3889201696       15.6535023808       15.6702146768
  H         6.6545689802       17.5888528768       12.9698747864
  H         6.9211387904       21.6026873161       16.2764765756
  H         9.3074277436       23.5865450945       13.2936372102
  H         6.6856076258       20.3713067126       12.1630399553
  H         4.4289419434       17.1593080752       13.8808304666
  H         1.8070861911       18.4931769289       10.7427804656
  H         4.2984346704       21.3262540899       12.8173029668
  F        15.6186669743        1.2751246927       -0.2930991818
  C        15.6626216668        1.6683360271        1.0284253526
  F        16.9918090997        1.8963644026        1.3185561041
  F        15.0494967212        2.8844301533        1.1016131172
  C        15.0751531517        0.6115930873        1.9253934920
  C        14.2219108477        0.9228853988        2.9905253589
  C        13.7253617191       -0.0724834812        3.8611884008
  C        14.1641929825       -1.3852222405        3.6255361970
  C        15.0053400635       -1.7037901349        2.5551606672
  C        15.4666609481       -0.7124929298        1.6884847780
  C        15.4678787874       -3.1196142758        2.3834462120
  F        16.0486539753       -3.3177968270        1.1713002445
  F        14.4476253274       -4.0414078317        2.4963755431
  F        16.4090652329       -3.4512468463        3.3542674173
  B        12.7848554549        0.2718834538        5.1558266720
  C        11.7370338233        1.4855268349        4.8437203114
  C        11.1274237026        1.5987915772        3.5793115107
  C        10.1462491658        2.5579798282        3.3184192403
  C         9.7313028057        3.4571969934        4.3053065758
  C        10.3175055898        3.3541626419        5.5642507542
  C        11.2917196144        2.3814515457        5.8297472807
  C         9.9538005843        4.3110734545        6.6591896870
  F        11.0922420063        4.8784149406        7.1887373021
  F         9.1359657867        5.3322986309        6.2381261126
  F         9.3073059608        3.6817041360        7.6991653239
  C         9.6229470191        2.7206177208        1.9276345258
  F         9.4967271870        1.5339739499        1.2493837516
  F         8.4024624519        3.3408992501        1.9033913591
  F        10.4693396685        3.4763258045        1.1631164681
  C        11.7800165207       -0.9595131448        5.5489980181
  C        11.2367856014       -1.8330304230        4.5892080896
  C        10.2893095383       -2.8058539146        4.9262155445
  C         9.8268141099       -2.9402842970        6.2382235463
  C        10.3411008865       -2.0707768558        7.1987067108
  C        11.2960542890       -1.1045434234        6.8606267201
  C         9.9460145871       -2.1877556866        8.6396601087
  F         9.5859084183       -0.9741646310        9.1687213133
  F         8.9076901565       -3.0502984861        8.8701660621
  F        11.0139725871       -2.6144395246        9.3929654885
  C         9.7507511215       -3.6983308554        3.8494158791
  F         8.8176592337       -4.5678307246        4.3252321933
  F        10.7195933815       -4.4526382626        3.2286914237
  F         9.1410629941       -2.9678325193        2.8539076861
  C        13.8516041455        0.6101692038        6.3524096354
  C        14.3439414087        1.9090186688        6.5632558678
  C        15.3258390489        2.1849881851        7.5245169104
  C        15.8701338942        1.1701895304        8.3083884240
  C        15.4108420247       -0.1347486245        8.0992170151
  C        14.4264697661       -0.4068080506        7.1430954276
  C        16.0228817751       -1.2295494326        8.9218171673
  F        16.0411760931       -0.8757712045       10.2617539065
  F        17.3296311022       -1.4916839274        8.5808823666
  F        15.3720930918       -2.4177391108        8.8047097778
  C        15.8738548353        3.5757977271        7.6211117532
  F        16.4771017112        3.8574127357        8.8088744941
  F        14.9139191359        4.5284728781        7.4081333800
  F        16.8299609948        3.7883034575        6.6591518113
  H        13.9392407293        1.9627507872        3.1489733613
  H        13.8414817731       -2.1861236865        4.2896564922
  H        16.1250978181       -0.9611217274        0.8607215154
  H        11.4244482381        0.9241283036        2.7773348897
  H         8.9907789846        4.2217512443        4.0918144997
  H        11.7170738593        2.3336271137        6.8312989442
  H        11.5551775935       -1.7580275089        3.5500248992
  H         9.0997033475       -3.7002583926        6.5047260874
  H        11.6692061696       -0.4456631290        7.6435618450
  H        13.9598819404        2.7327229690        5.9631875622
  H        16.6335457132        1.3881497097        9.0511758800
  H        14.1002509074       -1.4369408505        7.0103155474
  H        10.7870689684       11.7885756464        4.6564500116
  H        11.5861968853       10.0192882200        3.1207280207
     646
 i =      176, E =         0.0002829279
 Rh         3.6521825370        0.2421485397        4.8233803619
  P         5.3946822832        0.6392422343        6.2920993363
  C         5.2319648298       -0.3141597105        7.8714754565
  C         4.8476033649       -1.7900237239        7.6499490138
  C         4.5346391191       -2.4578622267        8.9994163479
  C         5.7156025890       -2.3464205231        9.9739262803
  C         6.1801476549       -0.8920197011       10.1428042729
  C         6.4567392622       -0.2062914227        8.7932458550
  C         5.6697806246        2.4069535013        6.8134407497
  C         4.6322252728        2.8284135541        7.8769891395
  C         4.6544036634        4.3360871205        8.1748531927
  C         4.5531690569        5.1696394749        6.8946079968
  C         5.6854929852        4.8046963402        5.9319808668
  C         5.6309557335        3.3155266798        5.5649981355
  C         7.0085608597        0.1017861255        5.5230332324
  C         6.9796980291        0.2379257138        3.9910423103
  P         5.3172259585       -0.2381312167        3.2972638377
  C         5.4887146883       -2.0240685443        2.7964166357
  C         4.4079218899       -2.4050368386        1.7641196718
  C         4.3901810013       -3.9098680995        1.4718834143
  C         4.2555069419       -4.7408620594        2.7499804712
  C         5.4011181656       -4.4203356300        3.7145949374
  C         5.4314558937       -2.9212481618        4.0540287394
  C         5.1160163775        0.6968706674        1.7111941728
  C         4.8292389933        2.1950332184        1.9309468972
  C         4.4301724726        2.8467783784        0.5962862487
  C         5.5137393164        2.6527334286       -0.4753814992
  C         5.8863201960        1.1712358714       -0.6456500558
  C         6.2542489788        0.5071485146        0.6944522138
  C         1.8927610925        0.3178201452        3.4712910853
  C         1.9143462032       -0.9271611192        4.1061271542
  C         1.0821623782       -0.7823033642        5.3952263827
  C         1.9543449952        0.1538601813        6.2597778001
  C         1.9321329413        1.3977359907        5.6269396916
  C         1.0458708787        1.2416213804        4.3748235965
  C         0.0016897289        0.2208836826        4.9055456744
  H         4.3773136900        0.1751508840        8.3677895128
  H         5.6772679636       -2.3223472277        7.1606733217
  H         3.9852525838       -1.8617173008        6.9700944638
  H         4.2641318878       -3.5120466974        8.8452135809
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  H        14.6330723311        7.1206398133        7.2179129402
  H        13.1425747975        6.0298343901        8.9259241512
  H        12.5342483511        7.6089427854        9.4067522756
  H        14.2874344432        6.8824683788       11.0054170586
  H        15.4276358830        6.6222280196        9.6934462496
  H        15.9380562929        8.7933184686       10.7407007364
  H        14.2511217564        9.3070304280       10.5949608086
  H        16.2172357319        8.8358526981        8.2869271910
  H        15.6100353940       10.3875337764        8.8521067862
  H        10.0201664705       10.0060266432        2.4587283317
  H        11.2119462524        9.4938317052        7.2057873932
  H         9.0934461144       10.7380361987        6.4367533254
  H         8.0321557904        9.3589198431        4.3558255892
  H         8.5402041899        8.2392010087        5.6582295961
  H         9.9984029961        7.7327821685        3.4665761810
  H         9.1465066196       11.5765342898        4.0309238666
  H        11.6040784791        7.4348115820        5.4946108594
  F         8.5023064428       11.5982985654        1.4655532976
  C         7.2278230846       11.2414148635        1.0643579556
  F         6.4848111796       12.3778736121        1.0305999814
  F         7.3491465126       10.8246164153       -0.2360646004
  C         6.6264344700       10.1720640448        1.9259154844
  C         6.9939751522        8.8481462956        1.6643368191
  C         6.4462291133        7.8483022007        2.4611442076
  C         5.5488640604        8.1622498673        3.4956869390
  C         5.1604822934        9.4857348338        3.7755769307
  C         5.7360179701       10.4836225648        2.9584555383
  B         4.2409781819        9.9001887195        5.0775608894
  C         3.2163700042        8.7131863657        5.5719519790
  C         2.5884682123        7.8528831718        4.6587218621
  C         1.6598340304        6.8797801321        5.0589832054
  C         1.2951471608        6.7381682471        6.3995713657
  C         1.8880026503        7.6074274404        7.3247643906
  C         2.8227317974        8.5677625635        6.9166222174
  C         1.5836246546        7.5073215346        8.7955732802
  F         0.6297813772        6.5793439028        9.0908177070
  F         2.6869750570        7.1597072232        9.5337396252
  F         1.1748950589        8.7179805990        9.3118239163
  C         1.1563150528        5.9760820236        3.9693415430
  F         2.1807560992        5.2391431937        3.4407715703
  F         0.1944828721        5.0749686307        4.3301869960
  F         0.6520361308        6.7255609432        2.9284385867
  C         5.3433601598       10.2470125143        6.2224296641
  C         5.8951723132        9.1917080971        6.9537228911
  C         6.8564847031        9.3864143566        7.9461582965
  C         7.3173922226       10.6705774624        8.2508835575
  C         6.8192982592       11.7410060003        7.4917132677
  C         5.8576913288       11.5265343861        6.4938133319
  C         7.3346926033       13.1429541283        7.6994402622
  F         7.8477844049       13.3444319686        8.9474145167
  F         6.3559339477       14.0810582012        7.4844938343
  F         8.3398721238       13.4812693935        6.8170115477
  C         7.2736046123        8.1352875512        8.6617813977
  F         8.4345550226        8.2299052610        9.3840007121
  F         7.4253739380        7.1003255672        7.7769096244
  F         6.2868114946        7.7315946847        9.5347424034
  C         3.2335970807       11.1427982591        4.7867903906
  C         2.6323172830       11.2902017376        3.5286119384
  C         1.6668460861       12.2672807224        3.2885201202
  C         1.2682697975       13.1624092642        4.2816330918
  C         1.8562700001       13.0326597970        5.5378588118
  C         2.8069155050       12.0326539025        5.7894457510
  C         1.1057471389       12.3797098658        1.9156805230
  F         1.0152922531       11.1551938118        1.3117732326
  F         1.8933347709       13.1555829087        1.0974472091
  F        -0.1577873904       12.9027001315        1.9035708904
  C         6.8216139278        6.4134512193        2.2181133870
  F         7.6151406848        6.2391516748        1.1140507429
  F         7.4984085432        5.8849057669        3.2978592903
  F         5.7123607443        5.6253953872        2.0531191494
  F         0.7125715466       15.0296462866        6.2355313193
  F         0.8947851819       13.3791348195        7.6960885559
  F         2.6779275310       14.5684960898        7.1196797420
  C         1.5258011026       13.9970952480        6.6375157253
  H         7.6808834849        8.6038756484        0.8594079551
  H         5.1476522018        7.3481583855        4.0984109099
  H         5.4828928262       11.5286149385        3.1331315028
  H         2.8313790261        7.9284836705        3.5992343183
  H         0.5930699173        5.9710654332        6.7130404058
  H         3.2651843871        9.2118246424        7.6753694382
  H         5.5635227170        8.1764607959        6.7460336302
  H         8.0524173327       10.8352770278        9.0317347029
  H         5.4914262374       12.3838321251        5.9315203923
  H         2.9138025717       10.6199167589        2.7182476550
  H         0.5358976209       13.9371547480        4.0784966925
  H         3.2262284014       11.9555800974        6.7920032788
  F         9.9827082342        8.3886159020       18.4854849113
  C        11.2757801572        8.6559429501       18.8871736292
  F        11.9352893658        7.4689890276       18.8445495845
  F        11.2165355775        9.0173074230       20.2227281413
  C        11.8821528951        9.7242929393       18.0215345314
  C        11.4403726683       11.0395353126       18.2037941631
  C        11.8890091899       12.0127607177       17.3110719221
  C        12.7684253157       11.6831506418       16.2711281477
  C        13.2417621578       10.3734866197       16.0772630280
  C        12.7603192894        9.4008089223       16.9794356870
  B        14.1535264935        9.9815175154       14.7701845913
  C        15.1596544004       11.1866570298       14.3000506036
  C        15.7602396092       12.0583891319       15.2241304319
  C        16.7001800861       13.0216852936       14.8367836914
  C        17.0859741151       13.1505644581       13.4975023334
  C        16.5062224166       12.2859412347       12.5611831819
  C        15.5690658357       11.3255252959       12.9601269083
  C        16.8419231104       12.3970641859       11.0969480879
  F        17.8576181949       13.2700006550       10.8525072253
  F        15.7543491068       12.8160222903       10.3459411468
  F        17.2353713691       11.1905659538       10.5610123558
  C        17.2384946463       13.9424442199       15.8965641886
  F        16.2460682176       14.6728039039       16.4976163670
  F        18.1481413428       14.8383417279       15.4057326805
  F        17.8385430203       13.2541692578       16.9333530659
  C        13.0460734455        9.6453740555       13.5998088813
  C        12.4460007316       10.6744254721       12.8454735004
  C        11.4660650848       10.4123472642       11.8786062047
  C        11.0450552496        9.1065123666       11.6256450218
  C        11.6005427099        8.0760335030       12.3856764661
  C        12.5709493987        8.3420626047       13.3573531119
  C        11.0268287040        6.6993426469       12.2315073868
  F        10.4970575550        6.4947191501       10.9939615745
  F        11.9227583996        5.6913852113       12.4654853200
  F        10.0059183021        6.4973584753       13.1315852745
  C        10.9015319900       11.5270822113       11.0436027147
  F         9.7394539041       11.1775832132       10.4115280473
  F        10.6241778237       12.6595428628       11.7439266720
  F        11.7669935380       11.8877013342       10.0451628759
  C        15.1883645958        8.7399178555       15.0510801610
  C        15.8542080582        8.5657569888       16.2867976119
  C        16.8099082402        7.5593895646       16.4634638723
  C        17.1189219139        6.6722972654       15.4291812849
  C        16.4812570938        6.8321114237       14.2065007358
  C        15.5537209438        7.8618499850       14.0142994613
  C        17.4838492942        7.2670588633       17.7696900598
  F        17.6135020522        8.3293265806       18.6225733847
  F        16.7934870957        6.3145033918       18.4806345684
  F        18.7592046241        6.7892314518       17.5408623609
  C        11.3920478378       13.4254524731       17.4308798940
  F        10.7858204082       13.6684197674       18.6260452138
  F        10.4815260955       13.7337781623       16.4322247195
  F        12.4022983262       14.3404217702       17.3058542182
  F        17.6305564898        4.8723081662       13.4874644758
  F        17.3766029323        6.5267223598       12.0283246606
  F        15.6570089869        5.2691655078       12.6114801950
  C        16.7876088759        5.8812362158       13.0905583210
  H        10.7521972518       11.2956241310       19.0044962267
  H        13.0881231466       12.4718535109       15.5913291347
  H        13.0642155670        8.3629172647       16.8563131100
  H        15.4867124933       11.9925958980       16.2761192722
  H        17.7987722097       13.9107829794       13.1926832997
  H        15.1428034803       10.6712565760       12.2009755201
  H        12.7466075746       11.7080805917       13.0149708254
  H        10.2869509965        8.8978665095       10.8772631266
  H        12.9618899167        7.5109093924       13.9419524445
  H        15.6256099925        9.2289031608       17.1207508006
  H        17.8342123300        5.8717931261       15.5807755690
  H        15.1013653093        7.9738241880       13.0304799675
  F         2.7317307178       18.6332370126       20.0997336222
  C         2.7301922807       18.2905156936       18.7677384621
  F         1.4062432655       18.0786756083       18.4736667907
  F         3.3591729521       17.0876399452       18.6313593345
  C         3.3375196213       19.3554445798       17.9093958614
  C         4.1811242196       19.0332407580       16.8411754996
  C         4.6940548287       20.0194697888       15.9754642082
  C         4.2802928188       21.3391444745       16.2267989874
  C         3.4389103079       21.6637091527       17.2990158699
  C         2.9615564029       20.6776852431       18.1586197282
  C         2.9230525193       23.0648625262       17.4350487566
  F         2.3000970974       23.2919360465       18.6238710791
  F         3.9022179690       24.0235813128       17.3054374656
  F         1.9926178866       23.2935035591       16.4317725834
  B         5.6122141903       19.6352168785       14.6732363319
  C         6.6469197983       18.4072738045       14.9720892144
  C         7.2638548541       18.2738085990       16.2281793985
  C         8.2433883788       17.3071365374       16.4689195933
  C         8.6475546340       16.4205631909       15.4703842668
  C         8.0500870048       16.5412159045       14.2163316210
  C         7.0815475510       17.5222582117       13.9695125757
  C         8.4237741806       15.5963481654       13.1146529439
  F         7.3129287855       15.0303845242       12.5391346926
  F         9.2159843291       14.5687076374       13.5619981033
  F         9.1081943831       16.2276603978       12.1007447580
  C         8.7838768523       17.1545732095       17.8522006225
  F         8.9101060675       18.3673348699       18.4839588316
  F        10.0146089959       16.5639287034       17.8929214059
  F         7.9539006848       16.3792742482       18.6304148437
  C         6.6359748333       20.8460899292       14.2690228513
  C         7.2173900159       21.6926610640       15.2320794468
  C         8.1650514364       22.6643754231       14.8901389400
  C         8.5886563308       22.8208649308       13.5669330531
  C         8.0391491016       21.9736746617       12.6043824413
  C         7.0874439635       21.0088331137       12.9491188146
  C         8.4038615076       22.1118704770       11.1583923249
  F         8.8235234622       20.9051847442       10.6313166888
  F         9.3801810307       23.0320490106       10.9270284894
  F         7.3247198621       22.5145718431       10.4081472638
  C         8.6822630783       23.5843814162       15.9566261615
  F         9.6015499543       24.4687055687       15.4764624451
  F         7.6876703401       24.3576569183       16.5043822035
  F         9.2705770080       22.8895358722       17.0031202746
  C         4.5419137704       19.2815256486       13.4818499904
  C         4.0520978044       17.9787211405       13.2702554309
  C         3.0837776735       17.6949538976       12.2959770526
  C         2.5603307807       18.7113169406       11.4958388256
  C         3.0188684402       20.0179666394       11.7028610840
  C         3.9795281156       20.2948094323       12.6791588372
  C         2.3991372666       21.1144856975       10.8868554579
  F         2.3720344564       20.7826361799        9.5418664021
  F         1.0899834806       21.3346127221       11.2601016388
  F         3.0365537839       22.3174350714       10.9980223212
  C         2.5089069734       16.3088121315       12.1875744403
  F         1.9322998646       16.0519197609       10.9843073747
  F         3.4285679663       15.3140255329       12.3964085260
  F         1.5224298796       16.1209975385       13.1305543305
  H         4.4361571601       17.9885135444       16.6723247937
  H         4.6137706251       22.1388883167       15.5670968769
  H         2.2963535698       20.9281999580       18.9804664201
  H         6.9771845965       18.9405396490       17.0399318648
  H         9.3890228258       15.6534988782       15.6702039603
  H         6.6545285383       17.5887981283       12.9699098075
  H         6.9212049111       21.6026313169       16.2764491818
  H         9.3074157334       23.5866109994       13.2936181313
  H         6.6856315483       20.3712667709       12.1630509220
  H         4.4288901486       17.1593831004       13.8807932457
  H         1.8070246681       18.4931496065       10.7426748505
  H         4.2984311754       21.3262185974       12.8173180990
  F        15.6186539791        1.2751104702       -0.2930160734
  C        15.6626910302        1.6686211784        1.0283271150
  F        16.9916454719        1.8962969978        1.3185375310
  F        15.0496242147        2.8841608375        1.1016205954
  C        15.0751213173        0.6115902964        1.9254347590
  C        14.2218210778        0.9228604577        2.9905858497
  C        13.7254035206       -0.0724915905        3.8610588505
  C        14.1641501580       -1.3851693471        3.6254801633
  C        15.0053066182       -1.7037946100        2.5552032275
  C        15.4667185409       -0.7125438443        1.6884993686
  C        15.4678369511       -3.1195944809        2.3835119988
  F        16.0487010261       -3.3178170891        1.1712076013
  F        14.4476356764       -4.0413924026        2.4963614096
  F        16.4090637938       -3.4512415296        3.3542576035
  B        12.7848664505        0.2718795694        5.1558458916
  C        11.7369010932        1.4856886847        4.8436652684
  C        11.1274551305        1.5988363720        3.5793899703
  C        10.1462942043        2.5579799932        3.3185092683
  C         9.7312324251        3.4572256300        4.3051994022
  C        10.3175670984        3.3540536299        5.5641532453
  C        11.2918125558        2.3813659251        5.8297203772
  C         9.9536464207        4.3113354138        6.6595513859
  F        11.0921155033        4.8782741616        7.1885941843
  F         9.1360617266        5.3321429263        6.2381172488
  F         9.3075085448        3.6817734010        7.6988747598
  C         9.6230060868        2.7205528716        1.9276106028
  F         9.4967326493        1.5339962011        1.2494045400
  F         8.4023024777        3.3410116128        1.9033729693
  F        10.4693527860        3.4763426429        1.1630990716
  C        11.7799671855       -0.9594856065        5.5489824143
  C        11.2367169346       -1.8330029408        4.5891447405
  C        10.2893322470       -2.8058235350        4.9261484966
  C         9.8268680168       -2.9402732132        6.2382322975
  C        10.3411070729       -2.0707567616        7.1987601080
  C        11.2960300489       -1.1045125082        6.8606327440
  C         9.9460549684       -2.1877901288        8.6395573205
  F         9.5858782575       -0.9740642045        9.1687740548
  F         8.9076571533       -3.0503294050        8.8701839380
  F        11.0140051581       -2.6144485533        9.3929920440
  C         9.7507573677       -3.6982637405        3.8494493880
  F         8.8176124277       -4.5678787839        4.3252558654
  F        10.7196419140       -4.4526731719        3.2286617102
  F         9.1410604718       -2.9678224778        2.8538956739
  C        13.8515990374        0.6102507466        6.3523639647
  C        14.3438949290        1.9089662333        6.5632034318
  C        15.3258969151        2.1849796910        7.5245643128
  C        15.8701185593        1.1703001232        8.3083160024
  C        15.4107651216       -0.1348046885        8.0991313940
  C        14.4265007280       -0.4068951831        7.1431322372
  C        16.0229404991       -1.2295598688        8.9218461682
  F        16.0411672208       -0.8757750314       10.2617328062
  F        17.3295837148       -1.4916697301        8.5808817389
  F        15.3720793601       -2.4177392551        8.8046943213
  C        15.8740145652        3.5755739694        7.6212009981
  F        16.4770557635        3.8574201640        8.8088292608
  F        14.9136857399        4.5287390135        7.4080414027
  F        16.8299763892        3.7883349071        6.6591267725
  H        13.9392045662        1.9627271946        3.1489116164
  H        13.8413877889       -2.1861585836        4.2895926857
  H        16.1251954925       -0.9611039080        0.8607810235
  H        11.4244657653        0.9241567704        2.7772896844
  H         8.9907727626        4.2217433223        4.0918262838
  H        11.7170617898        2.3336559308        6.8312741669
  H        11.5550551310       -1.7579375230        3.5500387258
  H         9.0997394725       -3.7003479190        6.5047560303
  H        11.6691654724       -0.4456377237        7.6435371925
  H        13.9598888051        2.7327237682        5.9631657402
  H        16.6335849692        1.3881469390        9.0511636252
  H        14.1002472240       -1.4368863221        7.0103109063
  H        10.7868622107       11.7886530505        4.6556357738
  H        11.5860578709       10.0188392336        3.1206439268
     646
 i =      177, E =         0.0028023520
 Rh         3.6523215758        0.2421669914        4.8234105427
  P         5.3948031854        0.6392659916        6.2921663660
  C         5.2319994707       -0.3142820029        7.8714683052
  C         4.8477546234       -1.7901678283        7.6496180301
  C         4.5346041471       -2.4582331705        8.9989983727
  C         5.7155034245       -2.3469197739        9.9736031130
  C         6.1800016519       -0.8925702424       10.1427868891
  C         6.4566337246       -0.2064962365        8.7934195040
  C         5.6697916899        2.4069829090        6.8135091403
  C         4.6322516001        2.8285433807        7.8769973353
  C         4.6549478742        4.3361765364        8.1749499157
  C         4.5533813634        5.1697479028        6.8947233849
  C         5.6853168515        4.8047050563        5.9316957247
  C         5.6309389988        3.3154657827        5.5650155116
  C         7.0086905801        0.1019414301        5.5230422458
  C         6.9797998946        0.2380777839        3.9910370527
  P         5.3173377241       -0.2381722611        3.2973096350
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  H        15.5351328659        6.9241683260        4.4209691047
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  F         7.3491541319       10.8245976160       -0.2361019238
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  C         6.9938361093        8.8481492980        1.6643288881
  C         6.4461683777        7.8483040175        2.4612485566
  C         5.5489566203        8.1622469882        3.4958221637
  C         5.1606287553        9.4857385003        3.7755767331
  C         5.7360721645       10.4836692590        2.9585344801
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  C         2.5885747417        7.8529009772        4.6586775328
  C         1.6599428749        6.8798552414        5.0589501024
  C         1.2952112641        6.7382171127        6.3995766764
  C         1.8880535016        7.6075442386        7.3247585283
  C         2.8226411228        8.5678684936        6.9166144993
  C         1.5837194298        7.5074552245        8.7955804545
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  F         2.6869634938        7.1597132271        9.5337024981
  F         1.1749160423        8.7179485221        9.3117645097
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  F         0.1944800507        5.0749806456        4.3302080636
  F         0.6520769084        6.7255387347        2.9285124490
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  C         7.3173943712       10.6705535557        8.2508056346
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  C         5.8577032268       11.5265546368        6.4938173132
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  F         6.3559493970       14.0810054270        7.4844883443
  F         8.3398728449       13.4812600191        6.8170001738
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  F         7.4253683893        7.1003590845        7.7769143461
  F         6.2868133819        7.7316037892        9.5347327308
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  C         2.6323874077       11.2902053209        3.5285681822
  C         1.6668797812       12.2672364926        3.2885087883
  C         1.2682692298       13.1623123227        4.2816635681
  C         1.8562879558       13.0326783251        5.5378927162
  C         2.8069956083       12.0327228403        5.7894204093
  C         1.1057384258       12.3797050083        1.9156886379
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  F         1.8933253317       13.1555734289        1.0974432476
  F        -0.1577837092       12.9026897979        1.9035502741
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  F         7.4984169184        5.8849092945        3.2978727584
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  F         2.6779182152       14.5684915142        7.1196760572
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  H         5.4915208793       12.3838045546        5.9315230448
  H         2.9138528266       10.6200320568        2.7182796704
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  H         3.2263481539       11.9557279352        6.7919303578
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  F        11.2165271435        9.0173037815       20.2227436529
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  C        11.4404135106       11.0395356342       18.2038178554
  C        11.8890168655       12.0127562413       17.3110827008
  C        12.7684170785       11.6831352144       16.2711234852
  C        13.2417199287       10.3734732295       16.0772801414
  C        12.7602778225        9.4007574490       16.9794205415
  B        14.1535137782        9.9815198349       14.7701736848
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  C        15.7602050236       12.0583841838       15.2241286295
  C        16.7001549129       13.0216597268       14.8367735180
  C        17.0859778570       13.1505526148       13.4974818844
  C        16.5062297201       12.2859350205       12.5611834081
  C        15.5690753097       11.3254989138       12.9601462533
  C        16.8419225748       12.3970599865       11.0969576649
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  F        15.7543484113       12.8160264751       10.3459345897
  F        17.2353700768       11.1905561500       10.5609989088
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  F        18.1481165064       14.8383170073       15.4057346380
  F        17.8385322340       13.2541708202       16.9333414504
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  C        12.4460115609       10.6744366134       12.8454948469
  C        11.4660885274       10.4123373786       11.8786236227
  C        11.0450806513        9.1064821939       11.6256270965
  C        11.6005449316        8.0760273720       12.3857136680
  C        12.5708843178        8.3420552869       13.3574148780
  C        11.0268491218        6.6993810813       12.2315746145
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  F        11.9227676508        5.6913738170       12.4654853223
  F        10.0059090049        6.4973513080       13.1315875633
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  F        10.6242005742       12.6594789712       11.7439125535
  F        11.7670110934       11.8876778126       10.0451614791
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  C        15.8542060139        8.5657103248       16.2868165901
  C        16.8099224691        7.5594032018       16.4635236092
  C        17.1189535387        6.6723562824       15.4291805149
  C        16.4812576381        6.8320955354       14.2065033834
  C        15.5536432847        7.8618033825       14.0143175610
  C        17.4838094870        7.2670717590       17.7695496395
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  F        16.7934720258        6.3144792283       18.4806810770
  F        18.7592244092        6.7892193102       17.5408834925
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  F        10.4815250088       13.7337641711       16.4322205171
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  H        13.0881066996       12.4718394965       15.5913249834
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  H        17.8343250618        5.8718771945       15.5807245884
  H        15.1012333092        7.9737136746       13.0305109225
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  F         3.3591453278       17.0876579482       18.6313570488
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  C        11.1274750323        1.5988840805        3.5793537893
  C        10.1463146425        2.5579813334        3.3184928589
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  C         9.9536082203        4.3113750678        6.6596116628
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  F         8.4022283308        3.3410588354        1.9033528249
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  F         9.1410679473       -2.9678211875        2.8538990497
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  C        14.3438882972        1.9089651367        6.5631591138
  C        15.3258893721        2.1849661798        7.5245344428
  C        15.8701228746        1.1702942809        8.3082643770
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  C        14.4264946801       -0.4069027657        7.1431062267
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  F        17.3295646527       -1.4916648444        8.5808821915
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  F        14.9136064851        4.5288134902        7.4080051578
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  H         9.0998503909       -3.7004882074        6.5047998755
  H        11.6690929080       -0.4455741598        7.6435034846
  H        13.9599019909        2.7327226340        5.9631253136
  H        16.6336301607        1.3881336439        9.0511095849
  H        14.1002144174       -1.4368658022        7.0102927883
  H        10.7865714431       11.7889160699        4.6540294772
  H        11.5857702021       10.0179252705        3.1204771732
     646
 i =      178, E =         0.0001235385
 Rh         3.6523844717        0.2421748148        4.8234321114
  P         5.3948442763        0.6392777188        6.2922018940
  C         5.2320333381       -0.3144001247        7.8714008416
  C         4.8479358219       -1.7902046063        7.6496414370
  C         4.5346572847       -2.4583854082        8.9987026771
  C         5.7154738014       -2.3472293328        9.9734257410
  C         6.1799881099       -0.8928050126       10.1428438140
  C         6.4565986109       -0.2065629158        8.7934899609
  C         5.6698544563        2.4070002255        6.8135636988
  C         4.6322043310        2.8285671821        7.8770148906
  C         4.6553039984        4.3362631604        8.1749875608
  C         4.5534522242        5.1697577399        6.8947894739
  C         5.6851922212        4.8047495395        5.9315021264
  C         5.6310709896        3.3154092944        5.5649669949
  C         7.0088247159        0.1021059295        5.5230559195
  C         6.9797538204        0.2382730302        3.9910707884
  P         5.3174278143       -0.2382084948        3.2973104003
  C         5.4890213407       -2.0240829901        2.7966367933
  C         4.4086356742       -2.4053175114        1.7642171668
  C         4.3904361404       -3.9100572390        1.4724660893
  C         4.2558823791       -4.7406013830        2.7506450355
  C         5.4016455999       -4.4201729256        3.7147759857
  C         5.4320584027       -2.9212797172        4.0540692421
  C         5.1158369421        0.6967299406        1.7112399394
  C         4.8288501042        2.1948175858        1.9312201491
  C         4.4300840741        2.8469578854        0.5965502586
  C         5.5141835939        2.6532316181       -0.4748831346
  C         5.8861611911        1.1714938627       -0.6456085661
  C         6.2538652462        0.5069373638        0.6943379985
  C         1.8930058325        0.3177801581        3.4712499737
  C         1.9144258862       -0.9270259362        4.1064134769
  C         1.0822865844       -0.7817183458        5.3954584050
  C         1.9545490525        0.1545286373        6.2597953855
  C         1.9325273755        1.3982575717        5.6266417267
  C         1.0462058663        1.2419594624        4.3745398504
  C         0.0018955503        0.2214573616        4.9055804833
  H         4.3772064918        0.1747806702        8.3676937543
  H         5.6777022603       -2.3223627340        7.1603653097
  H         3.9856218507       -1.8618635794        6.9693636396
  H         4.2641320249       -3.5125307794        8.8442543193
  H         3.6489858540       -1.9736188045        9.4352211629
  H         5.4360672766       -2.7681528077       10.9502889003
  H         6.5515235149       -2.9577192581        9.6060748517
  H         7.0885215187       -0.8492677320       10.7616587215
  H         5.4009559556       -0.3253104395       10.6757638785
  H         6.7411129423        0.8409194194        8.9581643224
  H         7.3147842114       -0.6879434868        8.3070087576
  H         6.6763378742        2.4633098837        7.2592848245
  H         4.8070689952        2.2734771453        8.8083050771
  H         3.6249009238        2.5471354993        7.5394280478
  H         5.5867736067        4.5950229190        8.6985740485
  H         3.8337529599        4.5769820241        8.8650562976
  H         4.5764131918        6.2403813024        7.1413514955
  H         3.5849103474        4.9916010544        6.4043974343
  H         6.6524953701        5.0398908927        6.3961236077
  H         5.6290526324        5.4010850605        5.0113676886
  H         6.4628352047        3.0646645571        4.8902768219
  H         4.7049142593        3.1105810718        5.0030474540
  H         7.8452743201        0.6673871607        5.9586415755
  H         7.1527374506       -0.9490443868        5.8111471163
  H         7.7736786701       -0.3599589117        3.5208949954
  H         7.1485543709        1.2831831888        3.6954829760
  H         6.4804520790       -2.1357993984        2.3279359615
  H         4.5690353518       -1.8553901598        0.8267752360
  H         3.4183976733       -2.0989191639        2.1279324566
  H         5.3194993663       -4.1895215203        0.9549664212
  H         3.5669876885       -4.1279263531        0.7801553261
  H         4.2381119932       -5.8105695051        2.5011969402
  H         3.2909893946       -4.5284044910        3.2351820461
  H         5.3023701015       -4.9930561087        4.6490425477
  H         6.3585562681       -4.7198153115        3.2628906047
  H         6.2902709096       -2.7068946682        4.7072144790
  H         4.5310465936       -2.6599652199        4.6324375161
  H         4.1996307041        0.2519218503        1.2873789399
  H         5.7251416110        2.6928695328        2.3301519656
  H         4.0348827018        2.3247240048        2.6827742352
  H         4.2264853129        3.9163750371        0.7462720798
  H         3.4868051255        2.3983786095        0.2504476199
  H         6.4108944170        3.2251291867       -0.1948217773
  H         5.1714836236        3.0687026868       -1.4337518121
  H         6.7267939144        1.0676420902       -1.3473163849
  H         5.0343780825        0.6316284040       -1.0895860996
  H         7.1721069419        0.9607714783        1.0885509020
  H         6.4728336245       -0.5569874236        0.5371119639
  H         2.1293213532        0.5257106428        2.4314603517
  H         2.1796916032       -1.8846319771        3.6680415436
  H         0.7617132302       -1.7136846140        5.8671458512
  H         2.2455045488       -0.0538545275        7.2853615302
  H         2.2146390816        2.3570803035        6.0517717267
  H         0.6901668728        2.1697846594        3.9197363923
  H        -0.6141453022        0.6200726727        5.7180414962
  H        -0.6328612402       -0.1906172165        4.1140077963
 Rh        14.7220596068       19.6400022556       14.9722079427
  P        12.9674615386       19.2122932216       13.5211321538
  C        13.1409847635       20.1922731411       11.9560154916
  C        13.5157235850       21.6648172307       12.2113623569
  C        13.8470927553       22.3680467443       10.8848368508
  C        12.6831886393       22.2694592263        9.8886960830
  C        12.2414835474       20.8136017072        9.6772355778
  C        11.9383054793       20.0962633610       11.0054783824
  C        12.6820573541       17.4545314948       12.9706289254
  C        13.7001240223       17.0365101046       11.8882167129
  C        13.6216522905       15.5372203506       11.5603956813
  C        13.7743061057       14.6865032051       12.8241941662
  C        12.6799584860       15.0384142951       13.8361777627
  C        12.7247604187       16.5291136628       14.2073077653
  C        11.3492196239       19.7253362887       14.3065854565
  C        11.4080789520       19.6562674700       15.8433757250
  P        13.0768530595       20.1638807868       16.5008965435
  C        12.8982195633       21.9580441214       16.9610895942
  C        13.9814222490       22.3929412933       17.9702542750
  C        13.9870346181       23.9124546558       18.1938488575
  C        14.1008965770       24.6833528520       16.8756149567
  C        12.9505218507       24.3098804355       15.9379602814
  C        12.9463877928       22.7994028199       15.6662520646
  C        13.3269793217       19.2283833560       18.0798660613
  C        13.6087450105       17.7375900973       17.8061540460
  C        14.0221294368       17.0244814813       19.1022499159
  C        12.9561580178       17.1873433176       20.1963239632
  C        12.6169073485       18.6674982550       20.4377664362
  C        12.2231188638       19.3941798367       19.1366300496
  C        16.4615244309       19.6181524828       16.3461847406
  C        16.4754241448       20.8171498279       15.6275121795
  C        17.3216517301       20.5647831524       14.3641135260
  C        16.4381795256       19.5924224127       13.5518009228
  C        16.4202530569       18.3946286095       14.2683763494
  C        17.2956264588       18.6147189098       15.5194831817
  C        18.3722482751       19.5738565730       14.9379109049
  H        14.0082240801       19.7146159983       11.4698079508
  H        12.6752257630       22.1819284055       12.6978674633
  H        14.3668236897       21.7238100061       12.9072424159
  H        14.1026808039       23.4201686075       11.0727907009
  H        14.7463973655       21.9046459783       10.4523602963
  H        12.9716679700       22.7187463530        8.9268602155
  H        11.8332771588       22.8593822504       10.2595040482
  H        11.3499512359       20.7734802224        9.0340740340
  H        13.0409386716       20.2672760393        9.1524275047
  H        11.6666299426       19.0507059723       10.8114711743
  H        11.0643088062       20.5602163902       11.4809019010
  H        11.6711106464       17.4148909823       12.5327886085
  H        13.5327168596       17.6196073631       10.9726947296
  H        14.7198784699       17.2765183784       12.2231925454
  H        12.6543015981       15.3126683976       11.0878213935
  H        14.3961612782       15.2868461564       10.8211765377
  H        13.7443412635       13.6177629607       12.5690844960
  H        14.7632820086       14.8609428573       13.2742818644
  H        11.6974416296       14.7837764599       13.4153445837
  H        12.7904523647       14.4472422259       14.7553958481
  H        11.8915849576       16.7701293519       14.8849262612
  H        13.6483120145       16.7350285206       14.7721139477
  H        10.5306913786       19.1030191920       13.9162701949
  H        11.1485370005       20.7535950370       13.9746129645
  H        10.6183282517       20.2694183317       16.3013347745
  H        11.2488428948       18.6241436955       16.1856306399
  H        11.9076467218       22.0805528199       17.4283184869
  H        13.8293772219       21.8831797209       18.9316585806
  H        14.9729467149       22.0808486435       17.6139328607
  H        13.0612813411       24.2089917132       18.7076490740
  H        14.8162563713       24.1730067684       18.8650834674
  H        14.1125868623       25.7639115266       17.0723194553
  H        15.0622070695       24.4583721651       16.3901637015
  H        13.0320097153       24.8401106685       14.9784195276
  H        11.9928001804       24.6131206519       16.3841737426
  H        12.1020643529       22.5370894639       15.0132577104
  H        13.8593821007       22.5307981168       15.1103992670
  H        14.2532260784       19.6715403963       18.4833018316
  H        12.7051055823       17.2582876467       17.4005440076
  H        14.3894818956       17.6370215014       17.0358377064
  H        14.2045128886       15.9600008488       18.8956603301
  H        14.9793637787       17.4402264899       19.4516759284
  H        12.0452725439       16.6468216831       19.8996586080
  H        13.2997084563       16.7213903046       21.1312217913
  H        11.7970997036       18.7552835079       21.1661286901
  H        13.4900064984       19.1724399345       20.8812490327
  H        11.2823007591       18.9756342108       18.7550526089
  H        12.0347622471       20.4556400623       19.3414183012
  H        16.2145289303       19.4897236128       17.3960469657
  H        16.2248481109       21.8077943478       15.9967898737
  H        17.6713402849       21.4542493809       13.8347738387
  H        16.1637981181       19.7359681384       12.5107009243
  H        16.1151851761       17.4162318981       13.9073666231
  H        17.6208599826       17.7122201158       16.0426797003
  H        18.9921614132       19.1073838527       14.1647791937
  H        19.0042099736       20.0253273644       15.7115729658
 Rh         5.9487131246       10.0589808734       14.9887815229
  P         4.1620520282        9.6094873221       13.5888539688
  C         3.8131208360        7.8528594253       13.0835832209
  C         3.7552866145        6.9368924389       14.3244829445
  C         3.6934171852        5.4499616375       13.9387768441
  C         4.8683204463        5.0676948150       13.0354466001
  C         4.8177325376        5.8951996322       11.7501205511
  C         4.8652481835        7.3996648451       12.0539805902
  C         2.5752400025       10.2026451382       14.3657245113
  C         2.6419273337       10.1066749418       15.8977611826
  P         4.3227895682       10.5978255410       16.5344842251
  C         4.1495773023       12.3765964351       17.0377389905
  C         4.0241918757       13.2577551489       15.7752720225
  C         4.0863845359       14.7591208566       16.0931210170
  C         5.3650143967       15.0890630878       16.8670149838
  C         5.4008264489       14.2939634558       18.1739650708
  C         5.3412022516       12.7827906977       17.9284053087
  C         4.5577608599        9.6549986691       18.1113927923
  C         4.8851936659        8.1736956085       17.8404182743
  C         5.1872103984        7.4441600075       19.1571358275
  C         4.0118830375        7.5638333346       20.1377527945
  C         3.3897364461        9.8062430506       19.0996274369
  C         3.6651227508        9.0365283595       20.4038647182
  C         4.3599860919       10.5658577022       12.0123205037
  C         4.7174594564       12.0421373989       12.2742158376
  C         5.0396226773       12.7613668109       10.9540700552
  C         3.8861091523       12.6412968169        9.9480943140
  C         3.4858005468       11.1762854332        9.7225242830
  C         3.1743671400       10.4523353778       11.0448301280
  C         7.7743643257       11.1886115327       15.5606597974
  C         7.5745789555        8.6940394774       14.3599503305
  C         8.4687745722        8.9418796498       15.5921109796
  C         9.5955167338        9.7971065061       14.9489830532
  C         8.6006342871       10.8098854796       14.3153898907
  C         7.6996269409       10.0424853477       16.3556745947
  C         7.6556249839        9.8421874895       13.5675145755
  H         2.8228795790        7.8498800144       12.5991109557
  H         4.6469297775        7.1115640284       14.9468113337
  H         2.8857264146        7.1980486007       14.9457241388
  H         2.7522427279        5.2365765667       13.4138456305
  H         3.6826875132        4.8479157965       14.8540037407
  H         5.8171610851        5.2437976400       13.5647003687
  H         4.8508717964        3.9952583721       12.7975035877
  H         5.6470510318        5.6368384765       11.0774987459
  H         3.8913437477        5.6578556906       11.2079389576
  H         4.7177702351        7.9628964493       11.1275022044
  H         5.8720541124        7.6554212316       12.4146115037
  H         2.4409367333       11.2465642979       14.0500741373
  H         1.7216052639        9.6364948157       13.9660971963
  H         1.8628692706       10.7191982530       16.3737221319
  H         2.4812149173        9.0693436695       16.2224473818
  H         3.2197695653       12.4669760646       17.6220675674
  H         4.8415281578       13.0045190082       15.0819475742
  H         3.0859625105       13.0260629913       15.2513563292
  H         4.0268489986       15.3259556777       15.1527181451
  H         3.2106889055       15.0530489481       16.6895036089
  H         5.4349345377       16.1638972627       17.0808260446
  H         6.2451732214       14.8468804392       16.2519709093
  H         6.3042205179       14.5283538476       18.7505680679
  H         4.5436854713       14.5919629285       18.7945629706
  H         6.2814928083       12.4579940980       17.4611020228
  H         5.2828708363       12.2590552635       18.8926342608
  H         5.4540324371       10.1136156876       18.5609456952
  H         5.7359244168        8.1024137364       17.1452268709
  H         4.0346378046        7.6865824921       17.3426038749
  H         6.0890884928        7.8824562831       19.6091552797
  H         5.4233293368        6.3896719176       18.9554402095
  H         4.2467031136        7.0539517086       21.0821813180
  H         3.1359343172        7.0497253974       19.7160643085
  H         3.2052651281       10.8658137673       19.3188401870
  H         2.4726182170        9.4156601550       18.6402526805
  H         4.5026598632        9.5147093365       20.9367536032
  H         2.7870391631        9.1112737348       21.0620251796
  H         5.2375152933       10.0921903926       11.5417905834
  H         5.5694400624       12.1049638829       12.9702217263
  H         3.8715181830       12.5452825162       12.7660981217
  H         5.2660767867       13.8185588888       11.1521656622
  H         5.9535167679       12.3262166797       10.5246899567
  H         4.1680342537       13.1088498039        8.9931474655
  H         3.0171773463       13.2022203718       10.3192173385
  H         2.6081629363       11.1154685983        9.0622872554
  H         4.3089896835       10.6495374006        9.2133359328
  H         2.2820882174       10.8974361430       11.5055284486
  H         2.9313181887        9.4019728014       10.8484597884
  H         7.5721958326       12.2133610911       15.8602692550
  H         7.2193545042        7.7113227179       14.0618070009
  H         8.7453411010        8.0552261195       16.1677876084
  H        10.2627677701       10.2548415959       15.6895917637
  H        10.1777075973        9.2448368606       14.2049968683
  H         9.0000163979       11.6451251424       13.7338132539
  H         7.4527378394        9.9969026782       17.4123298470
  H         7.3832196591        9.9346267188       12.5195419508
 Rh        12.6535511791        9.8061880036        4.6979529896
  P        14.2889176930       10.0467995666        6.1717962782
  C        14.4225475059       11.8479509778        6.6624816560
  C        14.7080702120       12.8034997675        5.4870729628
  C        14.7818928983       14.2657787857        5.9684229763
  C        13.5146462798       14.6895971978        6.7191079902
  C        13.2613117842       13.7507785532        7.9021965294
  C        13.1646658032       12.2924631024        7.4304040959
  C        15.9576832731        9.6286509066        5.4505930199
  C        15.9757802630        9.8353779858        3.9235572448
  P        14.3094465916        9.4388052951        3.2031187223
  C        14.3791076872        7.6370230629        2.7169440860
  C        14.5617917830        6.7294744628        3.9517128149
  C        14.4462636718        5.2352608975        3.6055676618
  C        13.1206502807        4.9332153943        2.9005824183
  C        13.0080642932        5.7723412484        1.6249120461
  C        13.1050948733        7.2724474344        1.9280188880
  C        14.1105115982       10.3440771559        1.6030672163
  C        13.9055549374       11.8524288288        1.8364916772
  C        13.5379432964       12.5555893639        0.5221222840
  C        14.5822050217       12.2919133928       -0.5711621696
  C        15.1744942751       10.0671217206        0.5308451585
  C        14.8156790227       10.7879782431       -0.7802657821
  C        14.1387838940        9.1582953255        7.7893460207
  C        13.7819664753        7.6687422537        7.6458096343
  C        13.4250383260        7.0865430921        9.0229670460
  C        14.5846064707        7.2497653408       10.0126341160
  C        15.0414307577        8.7126802069       10.1088295808
  C        15.3428940174        9.3303190524        8.7297054887
  C        10.4953414047        9.9310063946        3.4441688166
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  H        10.0196981067       10.0039165055        2.4585004330
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  F         7.3491683497       10.8246309321       -0.2361741142
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  C         6.9937634733        8.8482832521        1.6643207086
  C         6.4462281422        7.8481192100        2.4612179678
  C         5.5491413523        8.1620625461        3.4957444890
  C         5.1604093094        9.4859460622        3.7759123721
  C         5.7361795319       10.4837018539        2.9584701764
  B         4.2410278502        9.9001327570        5.0775963716
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  C         2.5882294830        7.8524632295        4.6586171917
  C         1.6598523911        6.8796015988        5.0585032107
  C         1.2953578327        6.7383768215        6.3995784019
  C         1.8877659539        7.6072992397        7.3250952078
  C         2.8226861597        8.5680186081        6.9166003550
  C         1.5835926733        7.5072109376        8.7951686543
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  F         2.6870707684        7.1596484438        9.5339065622
  F         1.1747647012        8.7181818634        9.3120496389
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  F         0.1940932174        5.0746461207        4.3302466414
  F         0.6518545616        6.7257338979        2.9280802099
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  C         5.8950378918        9.1917294260        6.9539604537
  C         6.8564714666        9.3863942837        7.9462325230
  C         7.3174727994       10.6706530883        8.2508284858
  C         6.8194202924       11.7410131172        7.4918047869
  C         5.8577088266       11.5265003255        6.4938311285
  C         7.3346820813       13.1427945234        7.6994152128
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  F         6.3558373988       14.0812049707        7.4844727368
  F         8.3399552782       13.4813220528        6.8169641129
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  F         7.4253879394        7.1002513653        7.7768520754
  F         6.2867821358        7.7315538041        9.5347800496
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  C         2.6324286911       11.2902484085        3.5286545151
  C         1.6669075944       12.2672720561        3.2886835199
  C         1.2681202707       13.1624593092        4.2817055533
  C         1.8562516112       13.0326176546        5.5376473446
  C         2.8070777406       12.0326519970        5.7892751025
  C         1.1055856247       12.3797391635        1.9154165389
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  F         1.8932883345       13.1555147674        1.0975578426
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  F         7.4985108102        5.8847746181        3.2979751935
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  H         5.4915244344       12.3838387242        5.9314721466
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  F        11.2165487184        9.0173088855       20.2226809696
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  C        11.4404127084       11.0395621020       18.2038487366
  C        11.8890316354       12.0127919598       17.3110576758
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  C        13.2417293401       10.3734017184       16.0772727987
  C        12.7603226137        9.4007913424       16.9793138672
  B        14.1534082898        9.9815241472       14.7701657407
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  C        15.7601914877       12.0583660455       15.2240544285
  C        16.7002076356       13.0217145919       14.8367383005
  C        17.0859816421       13.1505811397       13.4976272071
  C        16.5061512489       12.2858347885       12.5611950678
  C        15.5690655065       11.3254490861       12.9600602907
  C        16.8420726119       12.3971344633       11.0967548023
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  F        15.7543794061       12.8159931710       10.3460009649
  F        17.2353249489       11.1906503628       10.5611063959
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  F        18.1482863973       14.8384725849       15.4056867248
  F        17.8385964501       13.2541520745       16.9334062559
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  C        12.4458711259       10.6744333400       12.8453648020
  C        11.4659647139       10.4124848928       11.8784600382
  C        11.0451396067        9.1066947679       11.6256291363
  C        11.6005161147        8.0759053255       12.3857266394
  C        12.5708576310        8.3418846496       13.3574816215
  C        11.0267500028        6.6992802070       12.2313723859
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  F        11.9227294620        5.6914340500       12.4654910922
  F        10.0059438056        6.4973681384       13.1315783062
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  F        10.6240020640       12.6600057214       11.7441006079
  F        11.7671639745       11.8878793947       10.0448156717
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  C        15.8540807612        8.5658237608       16.2868506491
  C        16.8097032601        7.5595673739       16.4632335117
  C        17.1190350807        6.6721500387       15.4288689197
  C        16.4813529076        6.8320513711       14.2066812554
  C        15.5536004030        7.8619004261       14.0145886661
  C        17.4841179882        7.2671069343       17.7705697767
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  F        16.7936828064        6.3148186495       18.4802731318
  F        18.7589664760        6.7893149486       17.5408149237
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  F        17.3767068325        6.5267670723       12.0281581706
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  H        13.0881088676       12.4718428386       15.5913085349
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  H        17.8342999511        5.8720069712       15.5806959903
  H        15.1011146698        7.9736709795       13.0303947686
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  F         3.3592021696       17.0876297989       18.6313411642
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  C         8.2433901226       17.3070845645       16.4688866020
  C         8.6476567895       16.4205768119       15.4703910888
  C         8.0500759513       16.5412251200       14.2163935712
  C         7.0814638983       17.5221721114       13.9695740243
  C         8.4237377055       15.5962729415       13.1144728350
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  F         3.4285703220       15.3140295968       12.3964087870
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  F        15.0495103055        2.8843945520        1.1016193559
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  C        14.2217913117        0.9228663293        2.9904383565
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  C        15.4668138977       -0.7124814032        1.6886025373
  C        15.4678656319       -3.1196168640        2.3834580953
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  F        14.4476300113       -4.0413898491        2.4963638127
  F        16.4090535603       -3.4512382673        3.3542458504
  B        12.7848047032        0.2719364395        5.1557611482
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  C        11.1274612074        1.5988978155        3.5792660412
  C        10.1462628834        2.5580117097        3.3183974151
  C         9.7312515246        3.4572262549        4.3052717089
  C        10.3175030265        3.3541892752        5.5642358817
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  C         9.9537629962        4.3111165705        6.6592360543
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  F         9.1359588106        5.3323053575        6.2381205586
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  F         8.4024276110        3.3409180558        1.9033789841
  F        10.4693384481        3.4763392232        1.1631028883
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  C        11.2365622953       -1.8328255274        4.5891256078
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  C        11.2959698415       -1.1044370915        6.8605874702
  C         9.9460319218       -2.1877649066        8.6396533050
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  F         8.9076893281       -3.0503045841        8.8701628802
  F        11.0139815093       -2.6144402480        9.3929687520
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  F        10.7196000642       -4.4526388648        3.2286965438
  F         9.1410619692       -2.9678296924        2.8539003509
  C        13.8516032320        0.6101722311        6.3523273331
  C        14.3439338201        1.9090121038        6.5631738219
  C        15.3258447914        2.1849754823        7.5244705537
  C        15.8701471079        1.1701723368        8.3082948472
  C        15.4108297446       -0.1347701533        8.0991423634
  C        14.4264516354       -0.4068207819        7.1430377721
  C        16.0228790767       -1.2295476319        8.9217897920
  F        16.0411722062       -0.8757715938       10.2617377107
  F        17.3296222802       -1.4916813378        8.5808784551
  F        15.3720882523       -2.4177421751        8.8047050395
  C        15.8739021605        3.5757647400        7.6211206849
  F        16.4770835187        3.8574126924        8.8088479375
  F        14.9138818680        4.5285055028        7.4081111524
  F        16.8299673393        3.7883126846        6.6591360967
  H        13.9390573296        1.9627090270        3.1487826206
  H        13.8411299895       -2.1861774855        4.2893646502
  H        16.1254835761       -0.9610749352        0.8609668978
  H        11.4245003142        0.9243084186        2.7772740695
  H         8.9906815906        4.2217812108        4.0918151153
  H        11.7170862487        2.3336989688        6.8312627508
  H        11.5547487036       -1.7576627483        3.5499356087
  H         9.0999594588       -3.7004965433        6.5047980836
  H        11.6690712758       -0.4455265553        7.6435026559
  H        13.9599046044        2.7327271864        5.9631038665
  H        16.6336165334        1.3881186589        9.0510563959
  H        14.1001842547       -1.4369109505        7.0102787549
  H        10.7865013261       11.7891040728        4.6532758194
  H        11.5856388352       10.0174813451        3.1203926888
     646
 i =      179, E =         0.0027211662
 Rh         3.6525107037        0.2421946134        4.8234758521
  P         5.3949419669        0.6393043084        6.2922633288
  C         5.2320833111       -0.3145459192        7.8713640480
  C         4.8481078648       -1.7903192418        7.6494160624
  C         4.5346791786       -2.4586993196        8.9982611772
  C         5.7153896194       -2.3477500653        9.9731201997
  C         6.1798591913       -0.8933066698       10.1428535785
  C         6.4565213802       -0.2067338569        8.7936401104
  C         5.6699093932        2.4070227939        6.8136451452
  C         4.6322357839        2.8286931582        7.8770287519
  C         4.6558130148        4.3363622482        8.1750748115
  C         4.5536418243        5.1698494466        6.8949151445
  C         5.6850489576        4.8047731898        5.9312257560
  C         5.6310668012        3.3153391812        5.5649434231
  C         7.0089743197        0.1022921813        5.5230691766
  C         6.9798203016        0.2384309699        3.9910800273
  P         5.3175477418       -0.2382405412        3.2973466507
  C         5.4893075155       -2.0241012427        2.7967382384
  C         4.4090112379       -2.4054708232        1.7642897578
  C         4.3906117905       -3.9101862533        1.4728075709
  C         4.2561206831       -4.7405096578        2.7510456421
  C         5.4020013691       -4.4200740611        3.7149151716
  C         5.4324277928       -2.9212941735        4.0541311502
  C         5.1157162536        0.6966356793        1.7112652303
  C         4.8286201268        2.1946839516        1.9313891879
  C         4.4300578461        2.8470889938        0.5967166034
  C         5.5144466316        2.6535218122       -0.4745401245
  C         5.8860663958        1.1716777169       -0.6455807772
  C         6.2536336328        0.5068255646        0.6942688133
  C         1.8931496863        0.3177719455        3.4712332004
  C         1.9144832865       -0.9269471148        4.1065940370
  C         1.0823471603       -0.7813526771        5.3956266641
  C         1.9546828191        0.1549659896        6.2597977585
  C         1.9327632704        1.3985799237        5.6264312112
  C         1.0464406150        1.2421634249        4.3743835698
  C         0.0020353813        0.2218234895        4.9055867654
  H         4.3771407552        0.1745431331        8.3676283560
  H         5.6779847430       -2.3223746935        7.1601622149
  H         3.9858744427       -1.8619512953        6.9689121408
  H         4.2641298601       -3.5128547952        8.8436347936
  H         3.6489147627       -1.9740130350        9.4347961020
  H         5.4359264902       -2.7688265148       10.9498812047
  H         6.5514522927       -2.9581316907        9.6057121807
  H         7.0883591099       -0.8498914095       10.7616851288
  H         5.4007928967       -0.3259700510       10.6758653092
  H         6.7408525607        0.8407289689        8.9585852848
  H         7.3148128601       -0.6878938792        8.3071641625
  H         6.6763330990        2.4633793731        7.2593872639
  H         4.8068189333        2.2734407365        8.8082745486
  H         3.6248750768        2.5476258355        7.5392875974
  H         5.5875677506        4.5948537614        8.6982889630
  H         3.8346079088        4.5772838267        8.8654685046
  H         4.5768033780        6.2404794417        7.1414373349
  H         3.5849141463        4.9917929545        6.4048647761
  H         6.6524892927        5.0401948539        6.3953688138
  H         5.6283780992        5.4008669955        5.0109797940
  H         6.4628565697        3.0646176870        4.8903354074
  H         4.7049511482        3.1103328526        5.0030460508
  H         7.8453571945        0.6676411327        5.9586130333
  H         7.1530025850       -0.9488703519        5.8111641437
  H         7.7738233374       -0.3597424594        3.5208904766
  H         7.1485383916        1.2833492446        3.6954716841
  H         6.4808278690       -2.1357351104        2.3280522897
  H         4.5696079703       -1.8556700052        0.8267173241
  H         3.4187627763       -2.0987911237        2.1278198257
  H         5.3195860584       -4.1898799127        0.9551940747
  H         3.5670267316       -4.1280796260        0.7805119987
  H         4.2381063112       -5.8106034181        2.5017482750
  H         3.2912739693       -4.5281493999        3.2357246557
  H         5.3029648470       -4.9930318969        4.6492995458
  H         6.3588746911       -4.7197718573        3.2628736976
  H         6.2907053191       -2.7067833927        4.7073217005
  H         4.5314244197       -2.6599278687        4.6325913704
  H         4.1994672566        0.2517480817        1.2875160415
  H         5.7247827870        2.6927258874        2.3305500961
  H         4.0345002710        2.3244218697        2.6827534782
  H         4.2264989187        3.9164157231        0.7466126727
  H         3.4869147952        2.3985627800        0.2503335701
  H         6.4111922798        3.2250390331       -0.1939906861
  H         5.1721114294        3.0693467719       -1.4332901287
  H         6.7266313068        1.0677734713       -1.3472838392
  H         5.0341229108        0.6321508883       -1.0896248044
  H         7.1720128011        0.9603485555        1.0884974286
  H         6.4723250051       -0.5571380249        0.5368319476
  H         2.1294962584        0.5255140234        2.4314068585
  H         2.1797018110       -1.8846442568        3.6683531356
  H         0.7617064559       -1.7132260995        5.8674598245
  H         2.2456053688       -0.0532666583        7.2854192841
  H         2.2149741405        2.3574580574        6.0513851350
  H         0.6904711074        2.1699309456        3.9194132130
  H        -0.6139417463        0.6206334363        5.7180017708
  H        -0.6327852236       -0.1903154339        4.1140985655
 Rh        14.7221519284       19.6400885770       14.9721415099
  P        12.9676554833       19.2123791312       13.5210121955
  C        13.1411458003       20.1923439600       11.9559049400
  C        13.5159058955       21.6648572909       12.2113034563
  C        13.8471064217       22.3682209418       10.8848056451
  C        12.6830527236       22.2697211974        9.8887959235
  C        12.2413118234       20.8138477166        9.6772601253
  C        11.9383566208       20.0963707885       11.0054994485
  C        12.6823637833       17.4545631737       12.9706945353
  C        13.7004793769       17.0364598383       11.8883688851
  C        13.6218733031       15.5372474902       11.5604264806
  C        13.7741295384       14.6863422759       12.8241097593
  C        12.6799275697       15.0384963948       13.8361165253
  C        12.7251648049       16.5291218625       14.2073490531
  C        11.3494467252       19.7256391907       14.3063070126
  C        11.4081359346       19.6560556528       15.8430939366
  P        13.0767800209       20.1638085354       16.5007694220
  C        12.8979335343       21.9578922764       16.9611939196
  C        13.9813691209       22.3925303265       17.9702392478
  C        13.9870478059       23.9119932380       18.1941886104
  C        14.1010945418       24.6830182160       16.8760495949
  C        12.9505092563       24.3100345963       15.9384519774
  C        12.9457073132       22.7995518447       15.6664965860
  C        13.3269678644       19.2283716731       18.0797512003
  C        13.6087978808       17.7375644042       17.8061387359
  C        14.0219051123       17.0244903656       19.1023723579
  C        12.9557678005       17.1874691548       20.1962296083
  C        12.6167139255       18.6676446590       20.4376498599
  C        12.2230112550       19.3942802147       19.1364542595
  C        16.4617383660       19.6180479933       16.3460585276
  C        16.4755807069       20.8171466296       15.6275395629
  C        17.3217092589       20.5649046198       14.3640073620
  C        16.4381388208       19.5926598141       13.5516253992
  C        16.4202783290       18.3947540321       14.2681042923
  C        17.2957505921       18.6147085209       15.5191381706
  C        18.3723614109       19.5738958804       14.9375631332
  H        14.0083727702       19.7146897582       11.4695552569
  H        12.6754820901       22.1819125429       12.6979792760
  H        14.3671103856       21.7238052762       12.9070890635
  H        14.1026758219       23.4203116153       11.0728196292
  H        14.7463494247       21.9048738785       10.4521738933
  H        12.9714009939       22.7190496665        8.9269938452
  H        11.8332101964       22.8595855166       10.2597809984
  H        11.3496692100       20.7738172922        9.0342804664
  H        13.0406653727       20.2675913684        9.1522639515
  H        11.6667061430       19.0508198321       10.8114222349
  H        11.0644267806       20.5602404305       11.4810806218
  H        11.6714226960       17.4147987579       12.5328534777
  H        13.5332845883       17.6196848333       10.9728391845
  H        14.7202434515       17.2763714442       12.2234962574
  H        12.6546027487       15.3128830932       11.0875956362
  H        14.3965290820       15.2868203599       10.8213138541
  H        13.7437858251       13.6176090273       12.5688355625
  H        14.7631999922       14.8602997857       13.2742821449
  H        11.6973115247       14.7841923308       13.4152896607
  H        12.7902313361       14.4471720318       14.7553108834
  H        11.8922075577       16.7702955861       14.8852192402
  H        13.6489131761       16.7348398660       14.7719493317
  H        10.5307393751       19.1038108617       13.9156495522
  H        11.1492779466       20.7540982599       13.9746955709
  H        10.6182297861       20.2689140679       16.3011669149
  H        11.2490553298       18.6237899072       16.1849795403
  H        11.9074729918       22.0801776660       17.4287029097
  H        13.8295333094       21.8825245764       18.9315120964
  H        14.9727802350       22.0805603667       17.6135911481
  H        13.0612457944       24.2084789385       18.7079422606
  H        14.8162044358       24.1723314514       18.8655484737
  H        14.1131497413       25.7635582801       17.0728662380
  H        15.0622939540       24.4577537352       16.3905570852
  H        13.0321477554       24.8402991785       14.9789531361
  H        11.9929555735       24.6136380756       16.3847619174
  H        12.1008991413       22.5377169289       15.0139846341
  H        13.8582628903       22.5307496208       15.1100997281
  H        14.2531381937       19.6715504580       18.4831662933
  H        12.7052645157       17.2582015491       17.4003427856
  H        14.3897002660       17.6370132747       17.0360327736
  H        14.2042928370       15.9600003940       18.8958432311
  H        14.9790926512       17.4402214932       19.4519579993
  H        12.0448262806       16.6471101981       19.8993743852
  H        13.2990562507       16.7213899859       21.1311953275
  H        11.7969414911       18.7556184969       21.1660131509
  H        13.4899110964       19.1725042443       20.8810750568
  H        11.2822095003       18.9757321996       18.7548635812
  H        12.0347089091       20.4557353647       19.3411465777
  H        16.2147834973       19.4894748416       17.3958868349
  H        16.2250394832       21.8077172329       15.9969224458
  H        17.6713369883       21.4544415532       13.8347411776
  H        16.1637106677       19.7363158362       12.5106001042
  H        16.1152013935       17.4164212398       13.9069894457
  H        17.6210450543       17.7121287895       16.0422001733
  H        18.9921074684       19.1074974988       14.1643004491
  H        19.0044202690       20.0252460569       15.7111892429
 Rh         5.9486190290       10.0589596319       14.9888264854
  P         4.1620489673        9.6096793507       13.5886787359
  C         3.8134127189        7.8529805119       13.0835285293
  C         3.7558940992        6.9372085832       14.3246382698
  C         3.6937448148        5.4501591129       13.9390667437
  C         4.8684395516        5.0676440872       13.0354380892
  C         4.8179167069        5.8952748251       11.7501283473
  C         4.8656368839        7.3997833780       12.0540365033
  C         2.5751357530       10.2026241744       14.3655319533
  C         2.6417572583       10.1066135071       15.8976412509
  P         4.3225858819       10.5976740578       16.5345129383
  C         4.1495659905       12.3764684560       17.0376624241
  C         4.0244435446       13.2575388822       15.7750895728
  C         4.0865009168       14.7589259268       16.0928968362
  C         5.3648793793       15.0890085311       16.8671271332
  C         5.4005996636       14.2938177205       18.1739596483
  C         5.3411794543       12.7826679688       17.9283401375
  C         4.5575053203        9.6547886805       18.1114109004
  C         4.8845595283        8.1733828605       17.8403069884
  C         5.1867350728        7.4437439802       19.1570397892
  C         4.0116321268        7.5637515971       20.1379710019
  C         3.3897441721        9.8062790466       19.0998797608
  C         3.6652658415        9.0365205626       20.4040227482
  C         4.3600164318       10.5660618024       12.0121234916
  C         4.7177562999       12.0423178971       12.2740064343
  C         5.0400526926       12.7613947672       10.9537741132
  C         3.8863915689       12.6416372954        9.9479632128
  C         3.4856509992       11.1768025779        9.7224474969
  C         3.1742990607       10.4527870754       11.0447082392
  C         7.7741066564       11.1886649295       15.5608410547
  C         7.5745692639        8.6941180591       14.3600005161
  C         8.4687045727        8.9420018230       15.5922251073
  C         9.5953701611        9.7973455521       14.9491714185
  C         8.6004542620       10.8100418922       14.3155787187
  C         7.6994272879       10.0424882554       16.3558115692
  C         7.6555374389        9.8422778152       13.5676207686
  H         2.8232267959        7.8497207527       12.5991167588
  H         4.6477776358        7.1118637541       14.9465559565
  H         2.8866285390        7.1984400683       14.9460806247
  H         2.7524454817        5.2369012911       13.4144187002
  H         3.6832691278        4.8482943517       14.8542930232
  H         5.8173749682        5.2434260324       13.5645381793
  H         4.8505529467        3.9953153817       12.7974139871
  H         5.6471602908        5.6368177373       11.0775421122
  H         3.8914803103        5.6581269143       11.2079847262
  H         4.7183619615        7.9630156329       11.1276196162
  H         5.8724249922        7.6553401021       12.4148528922
  H         2.4406799077       11.2464929556       14.0499121749
  H         1.7216364323        9.6363294556       13.9659010405
  H         1.8627028733       10.7191896294       16.3735208174
  H         2.4809644250        9.0693314549       16.2222857841
  H         3.2197226806       12.4670167452       17.6219074607
  H         4.8419862631       13.0042763064       15.0820261641
  H         3.0863814733       13.0257859910       15.2509395675
  H         4.0271951633       15.3256996946       15.1524258449
  H         3.2105851748       15.0528357254       16.6889982461
  H         5.4345167713       16.1638729604       17.0810470940
  H         6.2452219120       14.8470992828       16.2522528758
  H         6.3039300881       14.5282965907       18.7507469182
  H         4.5433335048       14.5916884685       18.7945715537
  H         6.2814704204       12.4580492177       17.4609268624
  H         5.2829810386       12.2588142077       18.8925017814
  H         5.4539732493       10.1131819641       18.5607888053
  H         5.7350820643        8.1019018336       17.1450167807
  H         4.0337770286        7.6864793412       17.3427822415
  H         6.0888081395        7.8818090349       19.6088086984
  H         5.4224553781        6.3892608145       18.9552639200
  H         4.2466560490        7.0538988888       21.0823372904
  H         3.1355059178        7.0497928608       19.7165667459
  H         3.2055643694       10.8659185552       19.3191378080
  H         2.4724125608        9.4159252210       18.6407244418
  H         4.5030456126        9.5145713880       20.9367722778
  H         2.7873408144        9.1114861484       21.0624606928
  H         5.2374000901       10.0923046379       11.5415556681
  H         5.5697059452       12.1050320131       12.9699913842
  H         3.8718625064       12.5456597651       12.7658261759
  H         5.2669417299       13.8184910954       11.1517987179
  H         5.9537127714       12.3258497551       10.5243375913
  H         4.1683404290       13.1091638073        8.9929501438
  H         3.0176478704       13.2028827304       10.3191782368
  H         2.6078431309       11.1162203532        9.0623233190
  H         4.3086211343       10.6498655154        9.2129870747
  H         2.2820993430       10.8979696284       11.5055236110
  H         2.9310920984        9.4024548714       10.8483026360
  H         7.5718348114       12.2133845634       15.8604530704
  H         7.2194268088        7.7114142484       14.0618698458
  H         8.7453170539        8.0553454083       16.1678777714
  H        10.2625585995       10.2551232158       15.6898343340
  H        10.1776820292        9.2451673836       14.2051843458
  H         8.9997636282       11.6453674540       13.7340401836
  H         7.4524731515        9.9968440956       17.4124273708
  H         7.3831759670        9.9347411974       12.5196574808
 Rh        12.6534038360        9.8061563084        4.6979462082
  P        14.2887584091       10.0466389898        6.1718412847
  C        14.4223082579       11.8477520394        6.6624434925
  C        14.7079676513       12.8031777100        5.4870169093
  C        14.7820256540       14.2653746180        5.9683205543
  C        13.5147308413       14.6894535576        6.7187326687
  C        13.2609029235       13.7507135598        7.9017638289
  C        13.1643074391       12.2923846745        7.4300803854
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  H        11.6032025175        7.4363073557        5.4986045583
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  F         7.3491556167       10.8246544765       -0.2361317387
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  C         6.9937220046        8.8482549638        1.6642147877
  C         6.4463250998        7.8481554961        2.4611254359
  C         5.5492612967        8.1621253510        3.4958185751
  C         5.1604054737        9.4860005347        3.7760752524
  C         5.7362597828       10.4836889099        2.9585121527
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  C         2.5882473916        7.8524123739        4.6586698322
  C         1.6598002184        6.8795085367        5.0585752950
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  C         1.5834993101        7.5071054896        8.7951497664
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  F         2.6870852715        7.1596464867        9.5339447332
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  F         0.1941281908        5.0746633889        4.3302178587
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  F        11.2165570653        9.0173068909       20.2226671402
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  C        11.8890255094       12.0127874709       17.3110868554
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  C        15.7601797221       12.0583813168       15.2240472427
  C        16.7002107795       13.0217249337       14.8367490610
  C        17.0859709107       13.1505614953       13.4976429331
  C        16.5061381681       12.2858050877       12.5611942429
  C        15.5690730637       11.3254165750       12.9600392417
  C        16.8420697856       12.3971267155       11.0967433237
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  F        15.7543755847       12.8159906038       10.3460032565
  F        17.2353216158       11.1906493130       10.5611117808
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  F        18.1482986397       14.8384825483       15.4056862537
  F        17.8386042044       13.2541502475       16.9334151565
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  C        11.4659267715       10.4124656432       11.8784178455
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  F        10.6239855416       12.6600574697       11.7441073862
  F        11.7671407397       11.8879052819       10.0448327262
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  C        16.4813269363        6.8320560303       14.2066779944
  C        15.5535468240        7.8618348247       14.0146067160
  C        17.4841441690        7.2670928363       17.7706842270
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  F        16.7936826606        6.3148296646       18.4802324323
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  C         8.6477249120       16.4205772154       15.4703912835
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  F        10.0145770092       16.5639087728       17.8928796840
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  F         7.3247813303       22.5145213089       10.4082161555
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  F         7.6877415164       24.3575870168       16.5043180882
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  C         3.9796650577       20.2946995449       12.6793043427
  C         2.3991574931       21.1153384399       10.8869539064
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  F         3.4285729804       15.3140099041       12.3964039494
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  H         4.2984463161       21.3262163762       12.8173572248
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  F        15.0495030220        2.8844198106        1.1016157363
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  C        14.2217444637        0.9228392894        2.9903921428
  C        13.7251813972       -0.0725014597        3.8610310020
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  C        15.0053353591       -1.7037853162        2.5551407959
  C        15.4669082422       -0.7124699222        1.6886241124
  C        15.4678711926       -3.1196100047        2.3834307705
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  F        14.4476058371       -4.0414145264        2.4963726263
  F        16.4090662509       -3.4512517657        3.3542530519
  B        12.7847645722        0.2719476445        5.1557062759
  C        11.7370685391        1.4856672299        4.8436443333
  C        11.1274768978        1.5989558033        3.5792628808
  C        10.1462221623        2.5580797086        3.3183980196
  C         9.7312178549        3.4572657233        4.3052850630
  C        10.3174712630        3.3542227444        5.5642057311
  C        11.2917431856        2.3815413086        5.8296745269
  C         9.9537859078        4.3110951718        6.6591809974
  F        11.0922249701        4.8784177043        7.1887346291
  F         9.1359468559        5.3323156341        6.2381339416
  F         9.3072994952        3.6817119550        7.6991678994
  C         9.6229066273        2.7206657973        1.9275906619
  F         9.4967215962        1.5339751420        1.2493808916
  F         8.4024882994        3.3408757628        1.9033965144
  F        10.4693290528        3.4763372484        1.1631106058
  C        11.7798125865       -0.9592909509        5.5489086795
  C        11.2364540955       -1.8327271202        4.5891188171
  C        10.2892358769       -2.8057925966        4.9261852531
  C         9.8269668855       -2.9404124091        6.2382504013
  C        10.3411134876       -2.0707700240        7.1987020921
  C        11.2959278041       -1.1043935247        6.8605595519
  C         9.9460323973       -2.1877464370        8.6396559296
  F         9.5859122934       -0.9741710715        9.1687247839
  F         8.9077004100       -3.0502973489        8.8701630983
  F        11.0139818685       -2.6144427077        9.3929754466
  C         9.7507444086       -3.6983033281        3.8494162083
  F         8.8176628803       -4.5678273949        4.3252333981
  F        10.7195884063       -4.4526360154        3.2286942420
  F         9.1410505882       -2.9678302416        2.8538883890
  C        13.8515950988        0.6101839272        6.3522805659
  C        14.3439509706        1.9090127424        6.5631559004
  C        15.3258493847        2.1849791474        7.5244441305
  C        15.8701637857        1.1701669793        8.3082654061
  C        15.4108429607       -0.1347804385        8.0991270334
  C        14.4264421637       -0.4068084943        7.1430059397
  C        16.0228546238       -1.2295492199        8.9217803387
  F        16.0411734355       -0.8757674877       10.2617189208
  F        17.3296393859       -1.4916846337        8.5808744267
  F        15.3720932566       -2.4177341040        8.8047020728
  C        15.8738052131        3.5757956325        7.6210399523
  F        16.4771341311        3.8574209440        8.8088997970
  F        14.9139661388        4.5284240134        7.4081441000
  F        16.8299778407        3.7883074041        6.6591384214
  H        13.9389629842        1.9627080869        3.1487039118
  H        13.8409522371       -2.1862301297        4.2892589180
  H        16.1256272589       -0.9610425845        0.8611239244
  H        11.4245400295        0.9243622371        2.7772141632
  H         8.9906732361        4.2217519762        4.0918203489
  H        11.7170965240        2.3337268427        6.8312424677
  H        11.5545669267       -1.7574862445        3.5498495798
  H         9.1001135604       -3.7005729486        6.5048164637
  H        11.6690176485       -0.4454501164        7.6434827064
  H        13.9599126108        2.7327300653        5.9630639057
  H        16.6336278482        1.3880980517        9.0509876511
  H        14.1001483309       -1.4369212226        7.0102581335
  H        10.7862430953       11.7893643697        4.6517573319
  H        11.5853737017       10.0166105622        3.1202341800
     646
 i =      180, E =         0.0001700323
 Rh         3.6525809529        0.2422046029        4.8234870196
  P         5.3950093908        0.6393155267        6.2922918345
  C         5.2320841911       -0.3145481040        7.8714178657
  C         4.8480832142       -1.7904149134        7.6490902699
  C         4.5346000083       -2.4588995681        8.9981437560
  C         5.7153299835       -2.3479330010        9.9729819996
  C         6.1797370792       -0.8935983980       10.1427839128
  C         6.4564601649       -0.2068606124        8.7937303267
  C         5.6698659169        2.4070345474        6.8136542317
  C         4.6323110853        2.8287926784        7.8770227963
  C         4.6559904560        4.3363691617        8.1751257442
  C         4.5537735930        5.1699347648        6.8949657093
  C         5.6850017085        4.8047356553        5.9311412388
  C         5.6309319107        3.3153361335        5.5650028005
  C         7.0089715497        0.1022853181        5.5230679237
  C         6.9799549258        0.2383936092        3.9910446395
  P         5.3175667466       -0.2382436038        3.2973916074
  C         5.4897056748       -2.0241354434        2.7966620728
  C         4.4090652003       -2.4053325200        1.7642530002
  C         4.3906529715       -3.9103459521        1.4727172194
  C         4.2560943980       -4.7407652722        2.7512384058
  C         5.4023183678       -4.4202605735        3.7151772615
  C         5.4326529506       -2.9211096061        4.0544316024
  C         5.1156010445        0.6965659777        1.7112724906
  C         4.8285189418        2.1946211266        1.9313330476
  C         4.4302612563        2.8470632066        0.5968191541
  C         5.5144848878        2.6534789087       -0.4741849119
  C         5.8859713420        1.1718826656       -0.6454838750
  C         6.2535307368        0.5067774517        0.6942032496
  C         1.8932208617        0.3177631811        3.4712392341
  C         1.9145173839       -0.9269170238        4.1066692820
  C         1.0823623797       -0.7812024906        5.3957165442
  C         1.9547589391        0.1551844407        6.2598289181
  C         1.9328849873        1.3987479720        5.6263223651
  C         1.0465583649        1.2422276607        4.3743037773
  C         0.0021231532        0.2220188443        4.9055748505
  H         4.3771466661        0.1743997727        8.3675694833
  H         5.6781200598       -2.3223713523        7.1600721424
  H         3.9861156135       -1.8619842061        6.9687783446
  H         4.2641444322       -3.5129773858        8.8433123149
  H         3.6489404145       -1.9742413821        9.4345497080
  H         5.4358488318       -2.7691796128       10.9496792631
  H         6.5514565300       -2.9583709396        9.6055116227
  H         7.0883267474       -0.8502035710       10.7617343175
  H         5.4007052072       -0.3263023099       10.6759237166
  H         6.7407300887        0.8406661878        8.9587995020
  H         7.3148399799       -0.6878711503        8.3072390584
  H         6.6763843731        2.4634163501        7.2594638848
  H         4.8066943416        2.2734155491        8.8082679436
  H         3.6248390836        2.5478662661        7.5392138914
  H         5.5880126362        4.5947824048        8.6981622397
  H         3.8350657576        4.5774378762        8.8656610565
  H         4.5770004973        6.2405118148        7.1414781963
  H         3.5848954790        4.9918799270        6.4050979398
  H         6.6524702368        5.0403514928        6.3949782525
  H         5.6280315393        5.4007848691        5.0107428020
  H         6.4629423514        3.0645719782        4.8903014605
  H         4.7050017895        3.1102080278        5.0030603432
  H         7.8454564321        0.6678121547        5.9586246986
  H         7.1531336972       -0.9487232879        5.8111549298
  H         7.7738253334       -0.3595745897        3.5209281616
  H         7.1485299626        1.2834822925        3.6954511613
  H         6.4808601228       -2.1356820602        2.3281850892
  H         4.5698870155       -1.8558809811        0.8267835967
  H         3.4190245884       -2.0987654509        2.1277371638
  H         5.3195768330       -4.1900443312        0.9553558731
  H         3.5671619616       -4.1281239048        0.7808063284
  H         4.2381219096       -5.8104128321        2.5020731174
  H         3.2914664947       -4.5280147277        3.2359831208
  H         5.3032736731       -4.9929072312        4.6492652630
  H         6.3589714445       -4.7197244070        3.2628812777
  H         6.2908073777       -2.7067701401        4.7072684560
  H         4.5316913934       -2.6599442255        4.6326173257
  H         4.1994179812        0.2516766629        1.2876013177
  H         5.7246209605        2.6926701612        2.3307661616
  H         4.0342600270        2.3242728539        2.6828024317
  H         4.2264720189        3.9165310706        0.7468026404
  H         3.4868794788        2.3986249715        0.2502456276
  H         6.4114124846        3.2250482613       -0.1935549884
  H         5.1723917948        3.0697350342       -1.4331881774
  H         6.7266079929        1.0678222564       -1.3473161383
  H         5.0339717971        0.6323979945       -1.0896611795
  H         7.1719682060        0.9601354500        1.0884695651
  H         6.4720679628       -0.5572127208        0.5366982576
  H         2.1295855636        0.5254144761        2.4313769422
  H         2.1797015217       -1.8846349185        3.6685224984
  H         0.7617096614       -1.7129731563        5.8676134936
  H         2.2456509480       -0.0529627289        7.2854363705
  H         2.2151456894        2.3576533944        6.0511918524
  H         0.6906189641        2.1700286970        3.9192395471
  H        -0.6138474040        0.6209228405        5.7179923378
  H        -0.6327461288       -0.1901628617        4.1141455902
 Rh        14.7221838746       19.6401342159       14.9721025691
  P        12.9677689897       19.2124388226       13.5209653868
  C        13.1413121125       20.1922994610       11.9557627518
  C        13.5161014134       21.6649138506       12.2113328119
  C        13.8470251376       22.3682238824       10.8847464848
  C        12.6830439651       22.2697747004        9.8888869540
  C        12.2412755861       20.8140092120        9.6773352612
  C        11.9383683249       20.0964557327       11.0054958947
  C        12.6824822388       17.4545592048       12.9707113408
  C        13.7007358635       17.0365726634       11.8883889473
  C        13.6219933190       15.5372040228       11.5603265920
  C        13.7741419333       14.6861648268       12.8240872137
  C        12.6799010075       15.0384582923       13.8361920925
  C        12.7253052594       16.5291989498       14.2074498946
  C        11.3495646451       19.7256854278       14.3061999701
  C        11.4081146651       19.6560568214       15.8429395748
  P        13.0767802067       20.1637613052       16.5007010239
  C        12.8977367432       21.9578206062       16.9612398040
  C        13.9812598748       22.3924018428       17.9702416709
  C        13.9871209346       23.9116939680       18.1942951658
  C        14.1011338322       24.6829091429       16.8763243761
  C        12.9504209065       24.3100597013       15.9387580478
  C        12.9455490958       22.7996828139       15.6667108991
  C        13.3268231323       19.2283217167       18.0796592405
  C        13.6087211766       17.7375494273       17.8062112318
  C        14.0218241010       17.0244994373       19.1023810741
  C        12.9555693316       17.1874753228       20.1962521069
  C        12.6165546838       18.6677662565       20.4375826873
  C        12.2230664347       19.3942282244       19.1363536497
  C        16.4618741253       19.6179695747       16.3459311290
  C        16.4756634502       20.8171390521       15.6275471558
  C        17.3217785641       20.5650229457       14.3639363157
  C        16.4380969673       19.5927537089       13.5514966818
  C        16.4203290542       18.3949029382       14.2680086929
  C        17.2958067514       18.6147469514       15.5189431687
  C        18.3723157369       19.5738914991       14.9373919728
  H        14.0083736246       19.7147703752       11.4694711157
  H        12.6755891985       22.1819225488       12.6980431839
  H        14.3671964135       21.7237972733       12.9069661650
  H        14.1026932149       23.4204516356       11.0728513464
  H        14.7463353714       21.9049897665       10.4520725298
  H        12.9712676036       22.7192285588        8.9270188860
  H        11.8331329554       22.8597205532       10.2599349770
  H        11.3494803200       20.7739839028        9.0343522562
  H        13.0405298466       20.2677508202        9.1521718666
  H        11.6667430475       19.0508638425       10.8113976508
  H        11.0644818821       20.5602503545       11.4811657595
  H        11.6715973632       17.4147548863       12.5328943612
  H        13.5335794536       17.6196770523       10.9729714068
  H        14.7203693197       17.2762782967       12.2236314413
  H        12.6547746763       15.3129985816       11.0874934891
  H        14.3966670976       15.2868266657       10.8214329713
  H        13.7434971807       13.6175995246       12.5687187142
  H        14.7630957025       14.8599710667       13.2742549648
  H        11.6972367465       14.7844074961       13.4152539628
  H        12.7901115647       14.4471909235       14.7551847358
  H        11.8925797450       16.7703595181       14.8853168038
  H        13.6492109363       16.7347386827       14.7718532742
  H        10.5307772125       19.1042257119       13.9153405760
  H        11.1496380334       20.7544187965       13.9747186716
  H        10.6182172595       20.2686268998       16.3010613131
  H        11.2491565203       18.6235551463       16.1846607939
  H        11.9074094736       22.0799848657       17.4288938810
  H        13.8296105369       21.8821801582       18.9314527594
  H        14.9727593498       22.0803968127       17.6134006982
  H        13.0611818658       24.2082358209       18.7081158949
  H        14.8161835703       24.1719949228       18.8657907027
  H        14.1134374253       25.7633449270       17.0731295619
  H        15.0623896591       24.4574277182       16.3907328910
  H        13.0322192347       24.8404243130       14.9791790822
  H        11.9930752511       24.6138951616       16.3850450623
  H        12.1002028498       22.5380040026       15.0142762488
  H        13.8576568957       22.5307317744       15.1099581138
  H        14.2531722743       19.6715956862       18.4831336518
  H        12.7053774933       17.2581803664       17.4002504928
  H        14.3898663674       17.6369987241       17.0360762924
  H        14.2041758265       15.9600079992       18.8959415302
  H        14.9789460287       17.4402154194       19.4521013958
  H        12.0446070743       16.6472645041       19.8992295001
  H        13.2987080232       16.7214171037       21.1311310343
  H        11.7968787049       18.7557799172       21.1659423874
  H        13.4898708141       19.1725421985       20.8809896240
  H        11.2821380899       18.9757755447       18.7547530781
  H        12.0346625382       20.4558607494       19.3410242525
  H        16.2149004036       19.4893480575       17.3958471515
  H        16.2251332350       21.8076957411       15.9969918286
  H        17.6713159205       21.4545082952       13.8347441106
  H        16.1636745800       19.7364938363       12.5105771065
  H        16.1151930807       17.4164696398       13.9067744848
  H        17.6211434025       17.7120667910       16.0419640062
  H        18.9921074436       19.1075435561       14.1640291382
  H        19.0045559073       20.0252263796       15.7110225973
 Rh         5.9485561599       10.0589466588       14.9888543745
  P         4.1620337064        9.6097640230       13.5885591633
  C         3.8138612526        7.8530182814       13.0836719447
  C         3.7561175462        6.9372096727       14.3244565564
  C         3.6940889193        5.4505127054       13.9389383318
  C         4.8683815923        5.0679315160       13.0355273029
  C         4.8180021860        5.8953568784       11.7502697917
  C         4.8656978514        7.3996921066       12.0541503417
  C         2.5751607701       10.2026117372       14.3655300758
  C         2.6416808236       10.1066713930       15.8974923411
  P         4.3224882412       10.5976100900       16.5345298562
  C         4.1496530806       12.3764103798       17.0375620880
  C         4.0244743312       13.2574335969       15.7750280927
  C         4.0864619348       14.7588020220       16.0928942132
  C         5.3648767103       15.0891046746       16.8670762059
  C         5.4004675438       14.2937907451       18.1741939424
  C         5.3410962455       12.7825614221       17.9283266818
  C         4.5573804619        9.6546155803       18.1113564036
  C         4.8842404069        8.1732685361       17.8405214221
  C         5.1863066456        7.4437262443       19.1569177937
  C         4.0115995338        7.5636998904       20.1379935897
  C         3.3896994588        9.8063463872       19.0999807607
  C         3.6653943401        9.0365881984       20.4042682429
  C         4.3599068002       10.5662972261       12.0121272613
  C         4.7178905547       12.0423366780       12.2737755980
  C         5.0402280843       12.7614768861       10.9537331210
  C         3.8864436194       12.6419695414        9.9479035622
  C         3.4855986794       11.1769325035        9.7222286527
  C         3.1742543241       10.4529833617       11.0447033914
  C         7.7739841983       11.1886974971       15.5609180877
  C         7.5745761832        8.6941589823       14.3600658731
  C         8.4686526111        8.9420475336       15.5922803178
  C         9.5953771235        9.7974684865       14.9492688388
  C         8.6003248227       10.8101260133       14.3156692595
  C         7.6993279226       10.0424935837       16.3558576558
  C         7.6555224489        9.8423724165       13.5676933409
  H         2.8232056158        7.8496326087       12.5990250616
  H         4.6483202779        7.1120517685       14.9465058438
  H         2.8870150845        7.1986725381       14.9463336028
  H         2.7524928810        5.2370514442       13.4147040265
  H         3.6835523453        4.8483328281       14.8546608946
  H         5.8175027200        5.2432245681       13.5644565114
  H         4.8504050421        3.9951264466       12.7973182283
  H         5.6472689101        5.6367879192       11.0775041925
  H         3.8915121352        5.6582603900       11.2079761275
  H         4.7186552343        7.9631311771       11.1275874727
  H         5.8726712570        7.6553268110       12.4149981675
  H         2.4405403705       11.2464912207       14.0498215760
  H         1.7215982173        9.6362140034       13.9657734665
  H         1.8626143533       10.7191853721       16.3734240638
  H         2.4808213453        9.0692482741       16.2222266459
  H         3.2196451114       12.4670479829       17.6218583266
  H         4.8422614594       13.0041335531       15.0820346447
  H         3.0866259212       13.0256559661       15.2507397277
  H         4.0273781400       15.3255990136       15.1522340679
  H         3.2106014228       15.0527021941       16.6886882500
  H         5.4343007071       16.1637841269       17.0811547481
  H         6.2452186522       14.8472157390       16.2524203790
  H         6.3037095838       14.5282494203       18.7507792943
  H         4.5432380361       14.5915137573       18.7945032413
  H         6.2814879397       12.4580611284       17.4608214223
  H         5.2830421352       12.2587150511       18.8924193018
  H         5.4539655276       10.1129699813       18.5607219203
  H         5.7347434637        8.1016369327       17.1448181536
  H         4.0332668894        7.6863833560       17.3428190179
  H         6.0887243371        7.8814977967       19.6086572066
  H         5.4220469520        6.3889050763       18.9551573088
  H         4.2466249234        7.0538625142       21.0824565039
  H         3.1352596077        7.0498030649       19.7168098421
  H         3.2057247919       10.8659328898       19.3192858156
  H         2.4723253715        9.4160675844       18.6409618912
  H         4.5031643322        9.5144551565       20.9367215642
  H         2.7875305584        9.1115926041       21.0626441674
  H         5.2374451860       10.0923077589       11.5413776657
  H         5.5698895258       12.1050753737       12.9699146775
  H         3.8720215520       12.5458591647       12.7657011043
  H         5.2673712155       13.8184186829       11.1515913719
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 Rh        12.6533442723        9.8061383475        4.6979554946
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  H        13.4315368454       13.6351431605        0.6986823611
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  H        16.1524229522       10.4124233847        0.8859222975
  H        13.9028018626       10.3358316498       -1.1998296616
  H        15.6174123508       10.6251353956       -1.5158476005
  H        13.2695380239        9.6552791948        8.2505019701
  H        12.9431718887        7.5395875735        6.9534536601
  H        14.6344276459        7.1202579076        7.2175493032
  H        13.1446183713        6.0275936001        8.9246607897
  H        12.5342726765        7.6058524917        9.4057230698
  H        14.2872570267        6.8812045692       11.0051228110
  H        15.4283649036        6.6215627746        9.6938279432
  H        15.9371227046        8.7928746122       10.7410478617
  H        14.2499576037        9.3057042376       10.5948480396
  H        16.2168696795        8.8355831445        8.2872608720
  H        15.6090875112       10.3870301169        8.8525045635
  H        10.0192487044       10.0018809528        2.4582787267
  H        11.2120378569        9.4995017063        7.2062063037
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  H         8.0315284653        9.3586471820        4.3576211824
  H         8.5403428937        8.2418014445        5.6621692431
  H         9.9975469604        7.7307703591        3.4709742323
  H         9.1454977004       11.5753490162        4.0274647967
  H        11.6030467532        7.4365596126        5.4994100785
  F         8.5023119941       11.5982982086        1.4655494058
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  F         7.3491469154       10.8246155413       -0.2360833955
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  C         6.9937035273        8.8481360989        1.6641692091
  C         6.4462432449        7.8483172858        2.4612163380
  C         5.5492010596        8.1622937322        3.4959790957
  C         5.1607009664        9.4858325684        3.7758041169
  C         5.7362359748       10.4836906563        2.9586118317
  B         4.2410311329        9.9002964364        5.0776394128
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  C         2.5886281071        7.8528008603        4.6587043020
  C         1.6599530587        6.8797792172        5.0589747538
  C         1.2952396641        6.7381909529        6.3995815131
  C         1.8879424556        7.6075247064        7.3247376421
  C         2.8224503116        8.5680414327        6.9165862170
  C         1.5836934551        7.5074372975        8.7955164008
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  F         2.6869782024        7.1597114036        9.5337374302
  F         1.1748902443        8.7179884574        9.3118289305
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  F         0.1944949751        5.0749890219        4.3301982025
  F         0.6520546686        6.7255546003        2.9284661040
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  C         5.8948638699        9.1917784078        6.9541343767
  C         6.8564442319        9.3864479319        7.9462833436
  C         7.3175515163       10.6705764759        8.2508081656
  C         6.8193768498       11.7410238233        7.4917253347
  C         5.8577588180       11.5265665288        6.4938674226
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  F         6.3559490391       14.0810469775        7.4844911500
  F         8.3398892144       13.4812872855        6.8170015505
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  F         7.4253680359        7.1003427823        7.7769123747
  F         6.2868189800        7.7315832160        9.5347381927
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  C         2.6324503071       11.2903167962        3.5285600288
  C         1.6668461331       12.2672807334        3.2885342799
  C         1.2681297860       13.1622871131        4.2816912956
  C         1.8562777090       13.0327033460        5.5378235548
  C         2.8071132764       12.0328704461        5.7893525730
  C         1.1057213404       12.3797080593        1.9156658766
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  F         1.8933278010       13.1555698243        1.0974633283
  F        -0.1577794733       12.9026838841        1.9035729828
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  F         7.4984207989        5.8848905468        3.2978778725
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  F         2.6779179522       14.5684921975        7.1196740367
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  H         5.1482756275        7.3483207506        4.0989809495
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  H         5.4916264196       12.3838243210        5.9314516020
  H         2.9140098175       10.6201086662        2.7181916654
  H         0.5355135397       13.9368606116        4.0786133085
  H         3.2266049042       11.9559773395        6.7918494539
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  F        11.9352940519        7.4689720448       18.8445520058
  F        11.2165349510        9.0172992366       20.2227299652
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  C        11.4404681540       11.0395424670       18.2038880111
  C        11.8890295167       12.0127458533       17.3111090178
  C        12.7683866144       11.6831113399       16.2711327829
  C        13.2416864454       10.3734480887       16.0772511459
  C        12.7602100600        9.4007233945       16.9793705608
  B        14.1534646394        9.9814684554       14.7701995814
  C        15.1596374995       11.1866175800       14.3000439681
  C        15.7601552417       12.0583847044       15.2241087386
  C        16.7001444820       13.0216567820       14.8367776307
  C        17.0859701911       13.1505245556       13.4974954225
  C        16.5062139682       12.2858875709       12.5611827412
  C        15.5690818287       11.3254306597       12.9601354813
  C        16.8419321943       12.3970574121       11.0969299627
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  F        15.7543476726       12.8160213701       10.3459403423
  F        17.2353616916       11.1905593084       10.5610066638
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  F        18.1481252938       14.8383211133       15.4057314961
  F        17.8385367065       13.2541677834       16.9333462419
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  C        12.4459673848       10.6744241296       12.8454782698
  C        11.4660709858       10.4123312085       11.8785925831
  C        11.0450992375        9.1064956503       11.6255572894
  C        11.6004765615        8.0760293055       12.3857095809
  C        12.5707477427        8.3420582976       13.3575065929
  C        11.0268301421        6.6993721403       12.2315556719
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  F        11.9227606286        5.6913761944       12.4654910033
  F        10.0059014319        6.4973472009       13.1315909151
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  F         9.7394504553       11.1775798443       10.4115185219
  F        10.6241876949       12.6595191562       11.7439183483
  F        11.7670093930       11.8877071160       10.0451487494
  C        15.1882364478        8.7398079112       15.0510876762
  C        15.8541317387        8.5656795759       16.2868164837
  C        16.8099119778        7.5594205830       16.4634746328
  C        17.1190341519        6.6724020583       15.4291068116
  C        16.4812355534        6.8320803539       14.2065089456
  C        15.5535126880        7.8617093024       14.0143764605
  C        17.4838322057        7.2670664417       17.7696593380
  F        17.6135020147        8.3293303971       18.6225783887
  F        16.7934802177        6.3144992965       18.4806429713
  F        18.7592094181        6.7892224788       17.5408694706
  C        11.3920547172       13.4254448657       17.4308868211
  F        10.7858123606       13.6684229456       18.6260623313
  F        10.4815309447       13.7337711615       16.4322299648
  F        12.4023023265       14.3404224281       17.3058532857
  F        17.6305610828        4.8723197352       13.4874655353
  F        17.3766043405        6.5267210519       12.0283315458
  F        15.6570272782        5.2691720899       12.6114922048
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  H        10.7524233664       11.2956463379       19.0046899565
  H        13.0880800049       12.4718078019       15.5913123895
  H        13.0639835671        8.3628197168       16.8561567978
  H        15.4865518230       11.9926703612       16.2760880711
  H        17.7987633173       13.9107178890       13.1926824886
  H        15.1428800366       10.6711059751       12.2009826636
  H        12.7466000389       11.7080546743       13.0149711915
  H        10.2871409338        8.8978339012       10.8770353456
  H        12.9615233693        7.5109581499       13.9422442819
  H        15.6254924937        9.2288178733       17.1207819095
  H        17.8345186236        5.8720543030       15.5806367489
  H        15.1009976651        7.9735069925       13.0305888043
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  F         1.4061663953       18.0786515433       18.4736692990
  F         3.3591567296       17.0876324557       18.6313665681
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  C         4.1810462462       19.0331927398       16.8412016372
  C         4.6941293100       20.0194657323       15.9754560569
  C         4.2804116336       21.3392010627       16.2269248542
  C         3.4388839525       21.6637377796       17.2990200907
  C         2.9614102958       20.6776655953       18.1584750921
  C         2.9230840027       23.0647903927       17.4350286785
  F         2.3000618912       23.2919580281       18.6239149082
  F         3.9022273666       24.0235958644       17.3054401882
  F         1.9925911331       23.2935249982       16.4317501317
  B         5.6122086527       19.6351304396       14.6733042601
  C         6.6467826701       18.4070813291       14.9721803670
  C         7.2636896979       18.2736025170       16.2282784854
  C         8.2433711459       17.3070775098       16.4689183311
  C         8.6476917079       16.4206342265       15.4703477233
  C         8.0500809455       16.5411833628       14.2163786899
  C         7.0813912903       17.5220734077       13.9696012667
  C         8.4238021974       15.5963156722       13.1146556780
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  F         9.2159676153       14.5687278027       13.5619913036
  F         9.1081898407       16.2276621870       12.1007510001
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  F         8.9101037292       18.3673397822       18.4839587684
  F        10.0145994122       16.5639374521       17.8929215346
  F         7.9539081468       16.3792832870       18.6304044494
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  C         7.2175660273       21.6924445551       15.2321303555
  C         8.1650812947       22.6642922778       14.8901588802
  C         8.5885640729       22.8208807202       13.5669266406
  C         8.0391495752       21.9736044830       12.6044068365
  C         7.0875466521       21.0086666668       12.9491643394
  C         8.4038708088       22.1118431410       11.1583837815
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  F         9.3801541917       23.0320216265       10.9270433771
  F         7.3247301306       22.5145592712       10.4081633437
  C         8.6823002666       23.5843719644       15.9566314264
  F         9.6015274052       24.4686702266       15.4764753721
  F         7.6876670253       24.3576495216       16.5043775387
  F         9.2705745968       22.8895309886       17.0031302170
  C         4.5419207676       19.2814826302       13.4818823660
  C         4.0520838639       17.9786967110       13.2702878013
  C         3.0838326269       17.6949357686       12.2959242325
  C         2.5604537851       18.7113023576       11.4957367522
  C         3.0189287310       20.0179533523       11.7028252292
  C         3.9795590266       20.2947645966       12.6791617990
  C         2.3991419060       21.1144080570       10.8867919664
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  F         1.0899966612       21.3346074384       11.2601028076
  F         3.0365950472       22.3174985136       10.9980343217
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  F         1.9323141301       16.0519294536       10.9843122840
  F         3.4285606482       15.3140348141       12.3964015221
  F         1.5224565595       16.1210131423       13.1305347869
  H         4.4360757418       17.9885337639       16.6723008382
  H         4.6140916453       22.1389317064       15.5673477471
  H         2.2960246620       20.9281686963       18.9802686253
  H         6.9769098426       18.9402093826       17.0400801143
  H         9.3893714633       15.6537309305       15.6700953482
  H         6.6542683192       17.5885012323       12.9700367904
  H         6.9215122374       21.6022898691       16.2765296272
  H         9.3071613111       23.5867606344       13.2935744425
  H         6.6857825923       20.3710364491       12.1630985746
  H         4.4287743201       17.1593728348       13.8808767830
  H         1.8071709069       18.4931343253       10.7425321240
  H         4.2984495001       21.3261999706       12.8173729505
  F        15.6186563829        1.2751058974       -0.2930442281
  C        15.6626829935        1.6686158696        1.0283508063
  F        16.9916741708        1.8963052287        1.3185372978
  F        15.0496255880        2.8841663004        1.1016226064
  C        15.0751559390        0.6115898981        1.9254313649
  C        14.2216737209        0.9228415572        2.9904310818
  C        13.7252127927       -0.0725065318        3.8609147522
  C        14.1638989811       -1.3852276075        3.6252825469
  C        15.0052947329       -1.7037901000        2.5551946117
  C        15.4669359958       -0.7125074162        1.6886661334
  C        15.4678182865       -3.1195974959        2.3835197603
  F        16.0487033460       -3.3178165256        1.1711933453
  F        14.4476249458       -4.0413886339        2.4963522949
  F        16.4090608631       -3.4512418943        3.3542394272
  B        12.7847865971        0.2719544480        5.1557313137
  C        11.7369393204        1.4858218424        4.8435901839
  C        11.1274890655        1.5990035260        3.5793075453
  C        10.1462756616        2.5580690367        3.3184799500
  C         9.7311716367        3.4572651448        4.3051798781
  C        10.3175452341        3.3541038066        5.5641147829
  C        11.2918264017        2.3814744254        5.8296719553
  C         9.9536154562        4.3113537899        6.6595580509
  F        11.0921043284        4.8782768670        7.1885882767
  F         9.1360499287        5.3321556689        6.2381185623
  F         9.3075204833        3.6817806038        7.6988546462
  C         9.6230155249        2.7205588332        1.9276069035
  F         9.4967268397        1.5340006295        1.2494001528
  F         8.4022494453        3.3410417619        1.9033583258
  F        10.4693534828        3.4763627096        1.1630756697
  C        11.7797534411       -0.9592832300        5.5489012643
  C        11.2363917586       -1.8327097640        4.5890364171
  C        10.2892732144       -2.8057480484        4.9261255515
  C         9.8270336942       -2.9403804099        6.2382665336
  C        10.3411273159       -2.0707449186        7.1987424050
  C        11.2958993571       -1.1043682326        6.8605792046
  C         9.9460759982       -2.1877913802        8.6395536029
  F         9.5858813971       -0.9740591436        9.1687747032
  F         8.9076692587       -3.0503270000        8.8701796338
  F        11.0140103104       -2.6144478974        9.3929957214
  C         9.7507316942       -3.6982480718        3.8494349252
  F         8.8176229451       -4.5678720857        4.3252569600
  F        10.7196426114       -4.4526670870        3.2286680369
  F         9.1410624036       -2.9678228218        2.8538863765
  C        13.8515937847        0.6102501383        6.3522437114
  C        14.3439068256        1.9089786118        6.5631052323
  C        15.3258954600        2.1849612720        7.5244872361
  C        15.8701402206        1.1702694591        8.3081910829
  C        15.4107574636       -0.1348127655        8.0990318711
  C        14.4264769053       -0.4068938701        7.1430455406
  C        16.0229469336       -1.2295621964        8.9218090017
  F        16.0411608467       -0.8757707814       10.2617066704
  F        17.3295704255       -1.4916652859        8.5808803255
  F        15.3720709435       -2.4177451994        8.8046860854
  C        15.8740667148        3.5755364532        7.6212041057
  F        16.4770291290        3.8574031814        8.8087853013
  F        14.9136547170        4.5287631880        7.4080199911
  F        16.8299819658        3.7883389114        6.6591121039
  H        13.9389341870        1.9626745359        3.1486470373
  H        13.8408728685       -2.1862492907        4.2891924233
  H        16.1257353032       -0.9610338926        0.8611517316
  H        11.4245535739        0.9243951285        2.7771824128
  H         8.9906486813        4.2217628609        4.0918276335
  H        11.7170799680        2.3337541037        6.8312073415
  H        11.5544515821       -1.7574057126        3.5498765567
  H         9.1001303629       -3.7006729611        6.5048491930
  H        11.6689787126       -0.4454297636        7.6434566924
  H        13.9599211126        2.7327249159        5.9630485885
  H        16.6336691389        1.3880982155        9.0509840324
  H        14.1001472985       -1.4368700155        7.0102530635
  H        10.7860448964       11.7894323606        4.6509618209
  H        11.5852320770       10.0161656188        3.1201530774
     646
 i =      181, E =         0.0026679805
 Rh         3.6527056868        0.2422220740        4.8235185099
  P         5.3951219336        0.6393385127        6.2923542117
  C         5.2321178354       -0.3146572972        7.8714090580
  C         4.8482208670       -1.7905441450        7.6487777552
  C         4.5345642572       -2.4592485111        8.9977527024
  C         5.7152356180       -2.3483886238        9.9726730061
  C         6.1795984331       -0.8941106363       10.1427602895
  C         6.4563542202       -0.2070544783        8.7938914375
  C         5.6698763632        2.4070656104        6.8137088076
  C         4.6323465732        2.8289107440        7.8770343294
  C         4.6565059607        4.3364553399        8.1752147732
  C         4.5539724653        5.1700348118        6.8950673677
  C         5.6848365970        4.8047470006        5.9308764955
  C         5.6309168586        3.3152798164        5.5650194760
  C         7.0090929776        0.1024347608        5.5230771407
  C         6.9800515884        0.2385447192        3.9910374999
  P         5.3176725889       -0.2382827170        3.2974338962
  C         5.4900440494       -2.0241606856        2.7967227787
  C         4.4094207363       -2.4053894835        1.7642814965
  C         4.3907932032       -3.9105202079        1.4729324288
  C         4.2562486067       -4.7407836957        2.7516501874
  C         5.4027281369       -4.4202992901        3.7154020276
  C         5.4330524922       -2.9210192093        4.0546105125
  C         5.1154594257        0.6964633323        1.7112974640
  C         4.8282950102        2.1944929696        1.9314236843
  C         4.4303299106        2.8471274533        0.5970003799
  C         5.5147084975        2.6536859840       -0.4737699960
  C         5.8858537251        1.1721081448       -0.6454154274
  C         6.2533113239        0.5066573981        0.6941190746
  C         1.8933748875        0.3177361960        3.4712192081
  C         1.9145706621       -0.9268417010        4.1068402756
  C         1.0824284174       -0.7808533053        5.3958600531
  C         1.9548850800        0.1556090149        6.2598353038
  C         1.9331289805        1.3990589549        5.6261282735
  C         1.0467673403        1.2424095916        4.3741233930
  C         0.0022617190        0.2223862773        4.9055827750
  H         4.3770996610        0.1741602148        8.3674947831
  H         5.6783837004       -2.3223737444        7.1598775488
  H         3.9864040559       -1.8620618379        6.9683743546
  H         4.2641546819       -3.5132601596        8.8426993539
  H         3.6489012107       -1.9746441866        9.4341165035
  H         5.4357035777       -2.7698531193       10.9492917249
  H         6.5514113230       -2.9587937922        9.6051443991
  H         7.0881832335       -0.8508138851       10.7617733811
  H         5.4005365217       -0.3269465866       10.6760255795
  H         6.7404826226        0.8405025143        8.9592134450
  H         7.3148849243       -0.6878305336        8.3073836996
  H         6.6764182491        2.4634853669        7.2595714264
  H         4.8064597958        2.2733836337        8.8082392753
  H         3.6248238729        2.5483428904        7.5390875292
  H         5.5887936731        4.5946228660        8.6978817026
  H         3.8358977758        4.5777361951        8.8660710567
  H         4.5773836152        6.2406065441        7.1415626828
  H         3.5848987199        4.9920640899        6.4055554299
  H         6.6524782570        5.0406496641        6.3942444025
  H         5.6273735906        5.4005775460        5.0103605303
  H         6.4629802326        3.0645182782        4.8903326239
  H         4.7050232967        3.1099636782        5.0030545372
  H         7.8455529362        0.6680747563        5.9586022002
  H         7.1533939278       -0.9485313435        5.8111670442
  H         7.7739500148       -0.3593471962        3.5209323269
  H         7.1485093047        1.2836378965        3.6954410991
  H         6.4811796626       -2.1356156899        2.3283152860
  H         4.5704277596       -1.8561922778        0.8267815112
  H         3.4193925889       -2.0986577516        2.1276328697
  H         5.3196389098       -4.1903837130        0.9556025170
  H         3.5672577228       -4.1282637767        0.7812092995
  H         4.2381281462       -5.8103695405        2.5026327575
  H         3.2917880877       -4.5277710713        3.2364976723
  H         5.3038615005       -4.9928266312        4.6494364649
  H         6.3592488073       -4.7196689900        3.2628799833
  H         6.2911764783       -2.7066848926        4.7073185612
  H         4.5321011201       -2.6599226812        4.6327452793
  H         4.1992795674        0.2515169027        1.2877409772
  H         5.7242907092        2.6925402172        2.3311654706
  H         4.0338702970        2.3239800951        2.6828126021
  H         4.2264707822        3.9166303016        0.7471476305
  H         3.4869517590        2.3987934929        0.2501257346
  H         6.4117331169        3.2249868323       -0.1927370573
  H         5.1729857469        3.0703939234       -1.4327983406
  H         6.7264826960        1.0679479757       -1.3473086695
  H         5.0337187426        0.6329022647       -1.0897050084
  H         7.1718848833        0.9597295149        1.0884203781
  H         6.4715749275       -0.5573438636        0.5364299532
  H         2.1297542516        0.5252185319        2.4313349420
  H         2.1797050726       -1.8846326378        3.6688388091
  H         0.7616992638       -1.7125213408        5.8679265951
  H         2.2457497973       -0.0523809809        7.2854990083
  H         2.2154791869        2.3580366496        6.0508169256
  H         0.6909181593        2.1701810370        3.9189194097
  H        -0.6136518416        0.6214768178        5.7179522721
  H        -0.6326682628       -0.1898643721        4.1142333541
 Rh        14.7222591541       19.6402198658       14.9720337028
  P        12.9679874310       19.2125306830       13.5208589520
  C        13.1415081643       20.1923382542       11.9556119356
  C        13.5163000008       21.6649609488       12.2112825510
  C        13.8470174446       22.3683793313       10.8847121476
  C        12.6829183701       22.2699792273        9.8890184700
  C        12.2411129055       20.8142740868        9.6773881434
  C        11.9384439433       20.0965650982       11.0054919878
  C        12.6827872166       17.4545665139       12.9707682401
  C        13.7011167326       17.0365895036       11.8885119911
  C        13.6222322211       15.5372107546       11.5603160766
  C        13.7740211830       14.6859632256       12.8240180243
  C        12.6798585637       15.0385129050       13.8361594167
  C        12.7257013773       16.5292413576       14.2075190124
  C        11.3498064485       19.7259788441       14.3059573810
  C        11.4081605149       19.6558452755       15.8426454868
  P        13.0767468212       20.1636884690       16.5005620022
  C        12.8974620529       21.9576801297       16.9613421791
  C        13.9811778470       22.3920337735       17.9702093133
  C        13.9871159340       23.9112243113       18.1946218760
  C        14.1013142341       24.6825861940       16.8767639505
  C        12.9504077538       24.3101899026       15.9392420287
  C        12.9448728797       22.7998511272       15.6670082839
  C        13.3267363304       19.2282778591       18.0795462537
  C        13.6087506389       17.7375203342       17.8062245641
  C        14.0216082314       17.0245173192       19.1024764119
  C        12.9551730462       17.1875667030       20.1961903063
  C        12.6163776718       18.6679309133       20.4374636289
  C        12.2229884696       19.3942960118       19.1361724067
  C        16.4620889462       19.6178466265       16.3457979386
  C        16.4758411518       20.8171341704       15.6275291742
  C        17.3218179233       20.5651496753       14.3638376438
  C        16.4380790653       19.5929989583       13.5513527192
  C        16.4203472421       18.3950266917       14.2677319784
  C        17.2959560430       18.6147365764       15.5186202513
  C        18.3723836911       19.5739280621       14.9370643080
  H        14.0084841221       19.7148611202       11.4692436877
  H        12.6758380127       22.1819154304       12.6981543743
  H        14.3674716930       21.7237920285       12.9068041837
  H        14.1026967998       23.4206101056       11.0728814490
  H        14.7462974598       21.9052107525       10.4518795498
  H        12.9710128954       22.7195491347        8.9271114331
  H        11.8330511570       22.8599334031       10.2602127724
  H        11.3491933192       20.7743136894        9.0345422509
  H        13.0402730355       20.2680561167        9.1520023101
  H        11.6668194083       19.0509729121       10.8113480530
  H        11.0645784158       20.5602828323       11.4813458754
  H        11.6718967337       17.4146680355       12.5329497707
  H        13.5341401957       17.6197299023       10.9731353499
  H        14.7206967303       17.2761218133       12.2239140250
  H        12.6550620919       15.3132079168       11.0872681212
  H        14.3970025109       15.2868073540       10.8215862182
  H        13.7429508005       13.6174816375       12.5684788581
  H        14.7629788962       14.8593402449       13.2742346969
  H        11.6971101504       14.7848169298       13.4151980310
  H        12.7898930708       14.4471428230       14.7550716507
  H        11.8932027313       16.7705177357       14.8855854700
  H        13.6497811499       16.7345507548       14.7716758280
  H        10.5308110343       19.1049802880       13.9147282624
  H        11.1503562261       20.7549181126       13.9747906208
  H        10.6181191220       20.2681379740       16.3008962857
  H        11.2493672700       18.6232077703       16.1840259469
  H        11.9072399011       22.0796196049       17.4292697469
  H        13.8297569339       21.8815303595       18.9313343671
  H        14.9726228533       22.0801002976       17.6130667468
  H        13.0611642402       24.2077350129       18.7084031944
  H        14.8161538038       24.1713378508       18.8662521784
  H        14.1139894928       25.7629998098       17.0736649372
  H        15.0624882506       24.4568211071       16.3911057940
  H        13.0323446069       24.8406188849       14.9796996845
  H        11.9932227842       24.6143960090       16.3856328557
  H        12.0990510488       22.5386109191       15.0149712122
  H        13.8565973270       22.5306804211       15.1096475151
  H        14.2531270158       19.6716227473       18.4830168279
  H        12.7055354736       17.2581026366       17.4000573820
  H        14.3900911369       17.6369824749       17.0362478529
  H        14.2039570851       15.9600064983       18.8961220508
  H        14.9786781879       17.4402077671       19.4523752898
  H        12.0441829030       16.6475502695       19.8989560713
  H        13.2980634811       16.7214307074       21.1310838633
  H        11.7967143346       18.7561025657       21.1658287838
  H        13.4897582859       19.1725991694       20.8808155509
  H        11.2820463604       18.9758714129       18.7545601253
  H        12.0346038643       20.4559735778       19.3407616093
  H        16.2151475353       19.4891031318       17.3957015256
  H        16.2253162782       21.8076409610       15.9971308973
  H        17.6713136434       21.4546944571       13.8347169518
  H        16.1635876981       19.7368362746       12.5104636420
  H        16.1152140315       17.4166611112       13.9064056652
  H        17.6213181839       17.7119961580       16.0414811405
  H        18.9920735135       19.1076479011       14.1635464244
  H        19.0047735742       20.0251520405       15.7106557322
 Rh         5.9484295528       10.0589256307       14.9889025534
  P         4.1620605536        9.6099648183       13.5883997821
  C         3.8141982188        7.8531311666       13.0836754392
  C         3.7567526458        6.9374419925       14.3244898303
  C         3.6944897355        5.4508116070       13.9391668418
  C         4.8684283300        5.0679711489       13.0355137621
  C         4.8181583455        5.8954630215       11.7503419829
  C         4.8660763499        7.3997302322       12.0542524177
  C         2.5750942190       10.2025660350       14.3653971689
  C         2.6415257302       10.1066502438       15.8973188331
  P         4.3223188951       10.5974548944       16.5345335659
  C         4.1496293342       12.3762893222       17.0374789084
  C         4.0247330344       13.2572317693       15.7748843207
  C         4.0865508884       14.7586180158       16.0926560421
  C         5.3647306225       15.0890911302       16.8671766447
  C         5.4002424885       14.2936759161       18.1743084420
  C         5.3410559382       12.7824416918       17.9282511319
  C         4.5571478856        9.6543913950       18.1113432402
  C         4.8835926238        8.1729827839       17.8405384472
  C         5.1857674791        7.4433925420       19.1567886732
  C         4.0114081674        7.5636355551       20.1381686892
  C         3.3896857748        9.8064158734       19.1002248206
  C         3.6655374044        9.0366248872       20.4045317703
  C         4.3598937843       10.5665507576       12.0119705912
  C         4.7181383541       12.0425118041       12.2735419184
  C         5.0406267331       12.7614766248       10.9534793148
  C         3.8867057447       12.6423835056        9.9477451623
  C         3.4854453046       11.1773859601        9.7220678681
  C         3.1741681745       10.4534141080       11.0446088326
  C         7.7737436295       11.1887452312       15.5610707680
  C         7.5745876858        8.6942475589       14.3601694741
  C         8.4685805368        8.9421532607       15.5923820570
  C         9.5952767950        9.7977000008       14.9494500384
  C         8.6001312003       10.8103019289       14.3158469245
  C         7.6991302506       10.0424976381       16.3559816848
  C         7.6554667892        9.8425160534       13.5678125733
  H         2.8234864467        7.8494743976       12.5990042703
  H         4.6491710987        7.1123531741       14.9462774129
  H         2.8878342948        7.1990787490       14.9467313461
  H         2.7526514328        5.2373552602       13.4152457507
  H         3.6841194768        4.8486524124       14.8550126540
  H         5.8177472952        5.2428685552       13.5643140089
  H         4.8501045919        3.9951214035       12.7972172465
  H         5.6474059983        5.6367603728       11.0775113830
  H         3.8916307866        5.6585206079       11.2080096822
  H         4.7192170512        7.9632797210       11.1276483096
  H         5.8730312939        7.6552574695       12.4152255092
  H         2.4402863383       11.2464577532       14.0496503034
  H         1.7216035523        9.6360450405       13.9655676676
  H         1.8624396744       10.7191852844       16.3732309877
  H         2.4805666766        9.0692043857       16.2220775965
  H         3.2195979046       12.4670927109       17.6216987936
  H         4.8427151237       13.0038936685       15.0821023463
  H         3.0870229571       13.0253839153       15.2503220347
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 Rh        12.6532230176        9.8060982757        4.6979579771
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  H        10.0189510253       10.0005504017        2.4581245384
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  F         7.3491618698       10.8245881651       -0.2361461058
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  C         6.9935702077        8.8481496757        1.6641773376
  C         6.4461442016        7.8482814762        2.4613701209
  C         5.5492724695        8.1622840072        3.4961110847
  C         5.1608813739        9.4858156162        3.7757411429
  C         5.7362681301       10.4837393698        2.9586994761
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  C         2.5887237199        7.8528189661        4.6586594535
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  F         2.6869550425        7.1597214328        9.5336829421
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  F         0.1944373834        5.0749631068        4.3302487336
  F         0.6520931147        6.7255521526        2.9285331554
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  F         7.4253584368        7.1003953994        7.7769186558
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  H         3.2267053723       11.9561090223        6.7917872664
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  F        11.2165252029        9.0172957826       20.2227406192
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  C        11.4405106897       11.0395342907       18.2039032503
  C        11.8890382582       12.0127461733       17.3111139013
  C        12.7683818326       11.6830984645       16.2711243832
  C        13.2416408855       10.3734208447       16.0772877601
  C        12.7601763913        9.4006847499       16.9793544249
  B        14.1534536317        9.9814693810       14.7701863482
  C        15.1596296167       11.1866005712       14.3000635248
  C        15.7601285573       12.0583849771       15.2241115141
  C        16.7001251739       13.0216336566       14.8367534178
  C        17.0859672214       13.1505089940       13.4974905111
  C        16.5062258657       12.2858892639       12.5611823702
  C        15.5690954899       11.3254142197       12.9601417931
  C        16.8419408707       12.3970592684       11.0969350638
  F        17.8575807866       13.2699587527       10.8525228888
  F        15.7543487943       12.8160239746       10.3459364279
  F        17.2353589861       11.1905559601       10.5609971330
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  F        18.1481185040       14.8383136575       15.4057275065
  F        17.8385300027       13.2541669469       16.9333391919
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  C        12.4459795347       10.6744269696       12.8455007807
  C        11.4660902537       10.4123426864       11.8786036295
  C        11.0451371434        9.1064731254       11.6255595032
  C        11.6004951744        8.0760140824       12.3857618617
  C        12.5706886783        8.3420440276       13.3575580100
  C        11.0268399872        6.6994014578       12.2316185185
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  F        11.9227621067        5.6913824355       12.4654889119
  F        10.0059020585        6.4973461183       13.1315875084
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  F        10.6241968430       12.6594855983       11.7439250428
  F        11.7670539462       11.8876894354       10.0451066186
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  C        15.8541354321        8.5656431224       16.2868543089
  C        16.8099075364        7.5594458417       16.4635131328
  C        17.1190693433        6.6724425442       15.4291011694
  C        16.4812491034        6.8320612639       14.2065309006
  C        15.5534390418        7.8616792482       14.0144019833
  C        17.4838128953        7.2670908072       17.7695827364
  F        17.6134956439        8.3292924775       18.6225636468
  F        16.7934940970        6.3145100297       18.4806670278
  F        18.7591987966        6.7892269183       17.5408911256
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  F        10.4815215606       13.7337578759       16.4322187791
  F        12.4023144815       14.3404179963       17.3058460240
  F        17.6305521014        4.8723527955       13.4874746110
  F        17.3766077178        6.5267269633       12.0283425859
  F        15.6570315002        5.2691769170       12.6114964125
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  H        10.7524749337       11.2956605470       19.0047694758
  H        13.0880645914       12.4717963489       15.5913076313
  H        13.0639037900        8.3628180537       16.8561151466
  H        15.4865057396       11.9926917258       16.2760685499
  H        17.7987543389       13.9106910616       13.1926832800
  H        15.1428945652       10.6710474319       12.2009691282
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  H        12.9613927262        7.5110006086       13.9423085806
  H        15.6254585677        9.2287784629       17.1207721828
  H        17.8346147944        5.8721319058       15.5805902242
  H        15.1008751717        7.9734105851       13.0306068031
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  F         3.3591115298       17.0876822827       18.6313609884
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  C         4.1810130618       19.0331516640       16.8412256947
  C         4.6941426468       20.0194355604       15.9754775365
  C         4.2804688864       21.3392172446       16.2269350012
  C         3.4388780557       21.6638158740       17.2989926441
  C         2.9613969013       20.6776386669       18.1583991415
  C         2.9231139350       23.0647730700       17.4350634004
  F         2.3000215779       23.2919835355       18.6239417794
  F         3.9022343765       24.0235841453       17.3054155656
  F         1.9925646692       23.2935304478       16.4316968404
  B         5.6121838065       19.6351268222       14.6733175746
  C         6.6467995894       18.4069683389       14.9722523513
  C         7.2636224971       18.2735639844       16.2283201983
  C         8.2433175273       17.3071188886       16.4689191679
  C         8.6477217698       16.4206696853       15.4703369708
  C         8.0500578278       16.5411773064       14.2163488856
  C         7.0813352054       17.5220273137       13.9696275755
  C         8.4238424103       15.5962869536       13.1146773722
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  F         9.2159435442       14.5687574114       13.5619949337
  F         9.1081848306       16.2276949387       12.1007560866
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  F         8.9101092337       18.3673625865       18.4839645407
  F        10.0146149754       16.5639528251       17.8929502017
  F         7.9539284382       16.3793150336       18.6303863171
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  C         7.2176054951       21.6923682466       15.2321616039
  C         8.1650723115       22.6642522312       14.8901862530
  C         8.5885305568       22.8208787782       13.5669290561
  C         8.0391483766       21.9735752726       12.6043840171
  C         7.0875746650       21.0086115394       12.9491772271
  C         8.4038888806       22.1118296856       11.1583679347
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  F         9.3801307746       23.0320004729       10.9270595879
  F         7.3247382403       22.5145565947       10.4081771703
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  F         9.6015020844       24.4686431121       15.4764948261
  F         7.6876490487       24.3576572247       16.5043868541
  F         9.2705663511       22.8895282339       17.0031319106
  C         4.5419038648       19.2814319504       13.4818780461
  C         4.0520980616       17.9786818133       13.2703185388
  C         3.0838813061       17.6949235992       12.2959352043
  C         2.5605127428       18.7113429543       11.4957161209
  C         3.0189448678       20.0179905111       11.7028043204
  C         3.9795833437       20.2947615864       12.6791661704
  C         2.3991677566       21.1141864961       10.8865117313
  F         2.3720756546       20.7827104777        9.5422081709
  F         1.0899330995       21.3346555742       11.2601656967
  F         3.0366353044       22.3176142208       10.9981344249
  C         2.5088663733       16.3087319792       12.1875180706
  F         1.9323319330       16.0519416405       10.9843252925
  F         3.4285652513       15.3140471720       12.3964038072
  F         1.5224828266       16.1210212352       13.1305281918
  H         4.4360348095       17.9885957870       16.6723050925
  H         4.6141837852       22.1389469919       15.5674314726
  H         2.2958765998       20.9281803152       18.9802645246
  H         6.9768393480       18.9400756691       17.0400913252
  H         9.3895111266       15.6537687029       15.6700669501
  H         6.6541933661       17.5884049571       12.9700801930
  H         6.9216146476       21.6021894251       16.2765338318
  H         9.3071005990       23.5868234308       13.2935523010
  H         6.6858319695       20.3709639999       12.1631077672
  H         4.4287236849       17.1593943528       13.8808821303
  H         1.8071890992       18.4931193185       10.7424538746
  H         4.2984497564       21.3261849143       12.8173857834
  F        15.6186643853        1.2750932100       -0.2930949708
  C        15.6626584802        1.6686290167        1.0283760047
  F        16.9917167041        1.8963143919        1.3185411746
  F        15.0496334660        2.8841403323        1.1016309256
  C        15.0751426313        0.6116456579        1.9254525565
  C        14.2216204298        0.9228410071        2.9903962195
  C        13.7251887411       -0.0725348755        3.8608248268
  C        14.1638094855       -1.3852476464        3.6252432112
  C        15.0052632152       -1.7038308115        2.5552434716
  C        15.4669896185       -0.7124917805        1.6887310165
  C        15.4678047519       -3.1196155807        2.3835428494
  F        16.0487076280       -3.3178263813        1.1711817366
  F        14.4476443081       -4.0413570033        2.4963374644
  F        16.4090447245       -3.4512269160        3.3542224633
  B        12.7847796994        0.2719988556        5.1557204849
  C        11.7369044632        1.4858919176        4.8435213781
  C        11.1275122636        1.5990371016        3.5792733910
  C        10.1463110629        2.5580448292        3.3184519189
  C         9.7311650157        3.4572537034        4.3051598978
  C        10.3175571769        3.3541151303        5.5641344415
  C        11.2918498634        2.3814867663        5.8296587568
  C         9.9535831835        4.3113743550        6.6595966378
  F        11.0921091578        4.8782702704        7.1885718356
  F         9.1360503096        5.3321620116        6.2381022925
  F         9.3075400379        3.6817694812        7.6988262531
  C         9.6230391221        2.7205316691        1.9276260249
  F         9.4967314525        1.5340263311        1.2494198631
  F         8.4021831563        3.3410841663        1.9033333946
  F        10.4693597501        3.4763715470        1.1630580909
  C        11.7796397318       -0.9592768925        5.5488769311
  C        11.2363069055       -1.8326089191        4.5889869175
  C        10.2892971685       -2.8056919561        4.9260804439
  C         9.8270969761       -2.9404014943        6.2382725612
  C        10.3411562867       -2.0707065688        7.1987622266
  C        11.2958717696       -1.1043119649        6.8605581520
  C         9.9460855862       -2.1878062883        8.6395528676
  F         9.5858819415       -0.9740365299        9.1687592196
  F         8.9076663555       -3.0503342334        8.8701750626
  F        11.0140138956       -2.6144446047        9.3929877183
  C         9.7507086187       -3.6982409269        3.8494288573
  F         8.8176158492       -4.5678851554        4.3252635281
  F        10.7196538470       -4.4526657170        3.2286763897
  F         9.1410746395       -2.9678222579        2.8538926009
  C        13.8516139608        0.6102439163        6.3522268415
  C        14.3438895731        1.9089694479        6.5630585969
  C        15.3258754521        2.1849615476        7.5244490011
  C        15.8701426555        1.1702556785        8.3081533521
  C        15.4107356677       -0.1348293078        8.0989849425
  C        14.4264569296       -0.4068967783        7.1430051034
  C        16.0229673118       -1.2295587058        8.9217920603
  F        16.0411580281       -0.8757706222       10.2617177289
  F        17.3295593271       -1.4916639399        8.5808819792
  F        15.3720642188       -2.4177559050        8.8046862429
  C        15.8741792887        3.5755059856        7.6212752995
  F        16.4769700891        3.8573839119        8.8087167148
  F        14.9135745164        4.5288322462        7.4079828528
  F        16.8299756041        3.7883436829        6.6591016815
  H        13.9388615421        1.9626372324        3.1485586786
  H        13.8407299524       -2.1862545955        4.2890464546
  H        16.1259324925       -0.9610241298        0.8612237486
  H        11.4245644459        0.9245022115        2.7771860495
  H         8.9905768594        4.2218027019        4.0918230932
  H        11.7170799156        2.3337897274        6.8311842658
  H        11.5542522432       -1.7572483619        3.5498639480
  H         9.1002194182       -3.7008061662        6.5048913009
  H        11.6689123068       -0.4453773483        7.6434248927
  H        13.9599366886        2.7327206344        5.9630206554
  H        16.6337121954        1.3880898324        9.0509475460
  H        14.1001262900       -1.4368472167        7.0102383699
  H        10.7857850088       11.7896740099        4.6494578317
  H        11.5849618826       10.0152982528        3.1199946479
     646
 i =      182, E =         0.0001585624
 Rh         3.6527685834        0.2422294508        4.8235439431
  P         5.3951664552        0.6393545696        6.2923851472
  C         5.2321588216       -0.3147945044        7.8713274860
  C         4.8484053440       -1.7905738117        7.6488372409
  C         4.5346446527       -2.4593788453        8.9974223881
  C         5.7152059622       -2.3487387176        9.9724947239
  C         6.1795770825       -0.8943411265       10.1428309908
  C         6.4563338926       -0.2071116305        8.7939586444
  C         5.6699692952        2.4070803270        6.8137774147
  C         4.6323127836        2.8289411818        7.8770578874
  C         4.6568462787        4.3365445818        8.1752537222
  C         4.5540441805        5.1700443860        6.8951378011
  C         5.6847354092        4.8048012964        5.9306883189
  C         5.6310262901        3.3152177763        5.5649445288
  C         7.0092397768        0.1026216444        5.5230883127
  C         6.9799972828        0.2387318211        3.9910786564
  P         5.3177711519       -0.2383152374        3.2974270031
  C         5.4899712786       -2.0241477197        2.7968883871
  C         4.4097344896       -2.4056609694        1.7643929397
  C         4.3909272046       -3.9105091922        1.4733473285
  C         4.2565054085       -4.7404746409        2.7518764438
  C         5.4027958818       -4.4200475908        3.7153099527
  C         5.4332180242       -2.9211915371        4.0544087481
  C         5.1154474802        0.6964319486        1.7113175753
  C         4.8281644805        2.1944181225        1.9316351335
  C         4.4301280755        2.8472745310        0.5970778022
  C         5.5149279033        2.6540032589       -0.4737467715
  C         5.8858495510        1.1721104317       -0.6454677433
  C         6.2531777377        0.5065966700        0.6941109434
  C         1.8934576407        0.3177233008        3.4711973615
  C         1.9145944410       -0.9267910949        4.1069445670
  C         1.0824724113       -0.7806425979        5.3959330255
  C         1.9549497372        0.1558284497        6.2598325892
  C         1.9332593401        1.3992436948        5.6260202668
  C         1.0468852260        1.2425422617        4.3740229780
  C         0.0023184656        0.2225731065        4.9055956707
  H         4.3770320243        0.1740574693        8.3674813852
  H         5.6785332147       -2.3223843579        7.1597541368
  H         3.9864379095       -1.8621123007        6.9680560370
  H         4.2641437780       -3.5134629819        8.8423745690
  H         3.6488137881       -1.9748341112        9.4339145432
  H         5.4356349004       -2.7701993193       10.9490664595
  H         6.5513371858       -2.9589833667        9.6049648668
  H         7.0880509946       -0.8511473491       10.7617546177
  H         5.4004525890       -0.3272984088       10.6760696009
  H         6.7403385130        0.8403734929        8.9594342052
  H         7.3148893143       -0.6878040689        8.3074676514
  H         6.6763764238        2.4635202808        7.2595962468
  H         4.8063424607        2.2733749906        8.8082168738
  H         3.6248381246        2.5486046593        7.5390262472
  H         5.5891832623        4.5945276121        8.6977181815
  H         3.8363271944        4.5778932388        8.8663037413
  H         4.5775901996        6.2406798832        7.1416109060
  H         3.5849191376        4.9921715545        6.4058046283
  H         6.6524933012        5.0408043726        6.3938564625
  H         5.6270258013        5.4004419968        5.0101903908
  H         6.4629220754        3.0645118108        4.8904097210
  H         4.7050056624        3.1098348201        5.0030420024
  H         7.8455449413        0.6681736337        5.9585619436
  H         7.1535385304       -0.9484870403        5.8111908767
  H         7.7740896640       -0.3592814411        3.5208927525
  H         7.1484984267        1.2836833394        3.6954472246
  H         6.4815103368       -2.1356014346        2.3283067726
  H         4.5707233415       -1.8562786807        0.8266716467
  H         3.4195160703       -2.0985666774        2.1276060909
  H         5.3197317078       -4.1905855423        0.9556859515
  H         3.5671792665       -4.1283798770        0.7812980412
  H         4.2381125843       -5.8105681502        2.5028873346
  H         3.2919027970       -4.5276471215        3.2367969149
  H         5.3041693820       -4.9929090858        4.6497151547
  H         6.3594696869       -4.7196712431        3.2628637927
  H         6.2915131908       -2.7065900780        4.7074629166
  H         4.5322468574       -2.6598728473        4.6328725603
  H         4.1991693038        0.2514139728        1.2877958610
  H         5.7240933382        2.6924506080        2.3313616976
  H         4.0337173242        2.3238196772        2.6827542575
  H         4.2265089207        3.9165750020        0.7473156865
  H         3.4870888861        2.3989182436        0.2500974585
  H         6.4118317281        3.2248996708       -0.1923148183
  H         5.1733422622        3.0706796935       -1.4324439564
  H         6.7263543063        1.0680392167       -1.3472519799
  H         5.0336060422        0.6331907092       -1.0897115664
  H         7.1718380628        0.9595152412        1.0883952383
  H         6.4713175402       -0.5574209747        0.5362758561
  H         2.1298444501        0.5251106612        2.4313143365
  H         2.1797099045       -1.8846460653        3.6690005741
  H         0.7616870610       -1.7122916140        5.8680985608
  H         2.2458040796       -0.0520716566        7.2855327864
  H         2.2156557818        2.3582318093        6.0506086840
  H         0.6910859518        2.1702415061        3.9187548495
  H        -0.6135409328        0.6217727446        5.7179210068
  H        -0.6326261479       -0.1897025451        4.1142787258
 Rh        14.7223224189       19.6402639320       14.9720022371
  P        12.9680950180       19.2125601153       13.5207882472
  C        13.1415203293       20.1924468527       11.9556219584
  C        13.5163056617       21.6649465314       12.2111948613
  C        13.8471035768       22.3685456275       10.8847369223
  C        12.6827913999       22.2701851488        9.8890348158
  C        12.2409790344       20.8143706273        9.6773457408
  C        11.9384849270       20.0965945481       11.0055112237
  C        12.6829811797       17.4545944738       12.9708097225
  C        13.7012393369       17.0364475689       11.8886366358
  C        13.6223382148       15.5372737784       11.5604264810
  C        13.7738441687       14.6859546396       12.8239563065
  C        12.6798461661       15.0386218593       13.8360342355
  C        12.7259692991       16.5291864600       14.2074718798
  C        11.3499214507       19.7262252388       14.3057859448
  C        11.4082345732       19.6556348730       15.8425043026
  P        13.0766952343       20.1636520590       16.5004918540
  C        12.8973630378       21.9575988707       16.9614065161
  C        13.9812167350       22.3917505550       17.9701947453
  C        13.9870704917       23.9110355914       18.1948583473
  C        14.1014662947       24.6823546656       16.8769498839
  C        12.9504718489       24.3103132606       15.9394578454
  C        12.9443533980       22.7998808684       15.6670703737
  C        13.3268477588       19.2283043780       18.0795228199
  C        13.6088622075       17.7375020916       17.8061442647
  C        14.0214607935       17.0245146714       19.1025864087
  C        12.9549658406       17.1876815684       20.1960799928
  C        12.6163256662       18.6679595867       20.4374054674
  C        12.2228314455       19.3944336254       19.1360897292
  C        16.4621810755       19.6178323036       16.3457535038
  C        16.4759287505       20.8170982633       15.6275492823
  C        17.3218070687       20.5651769427       14.3637964075
  C        16.4380869398       19.5931200976       13.5513370382
  C        16.4203343242       18.3950674982       14.2675455164
  C        17.2960270969       18.6146937364       15.5184611098
  C        18.3725262451       19.5739654780       14.9368823770
  H        14.0086267473       19.7148622019       11.4690725091
  H        12.6759940172       22.1818955098       12.6982077583
  H        14.3676833655       21.7237954961       12.9067622381
  H        14.1026795039       23.4206315825       11.0728792530
  H        14.7462659055       21.9053297932       10.4517801521
  H        12.9708681999       22.7196935999        8.9272150745
  H        11.8330506731       22.8600150795       10.2603508707
  H        11.3490869136       20.7744968326        9.0346778319
  H        13.0401289182       20.2682264296        9.1519216894
  H        11.6668647298       19.0510481783       10.8113190147
  H        11.0646446842       20.5602977609       11.4814428013
  H        11.6720491504       17.4146206793       12.5329719579
  H        13.5344330276       17.6198081611       10.9731567583
  H        14.7209363094       17.2760577839       12.2240813956
  H        12.6552052650       15.3133152817       11.0871385079
  H        14.3972316338       15.2867748923       10.8216130055
  H        13.7426654063       13.6173513191       12.5683405347
  H        14.7629810462       14.8590055123       13.2742509469
  H        11.6970571629       14.7850344192       13.4151773103
  H        12.7897820201       14.4470673515       14.7550881664
  H        11.8934844151       16.7706241488       14.8857730522
  H        13.6500941310       16.7344575169       14.7715930523
  H        10.5308286929       19.1053721035       13.9144017020
  H        11.1507520430       20.7551218268       13.9748458568
  H        10.6180338745       20.2679054948       16.3008255963
  H        11.2494879533       18.6230730774       16.1836771836
  H        11.9071223884       22.0794250358       17.4294781898
  H        13.8298338052       21.8811986563       18.9312547762
  H        14.9724870867       22.0799563554       17.6129115902
  H        13.0611914353       24.2074561817       18.7085445649
  H        14.8161351028       24.1709775581       18.8664899283
  H        14.1142818966       25.7628507087       17.0739677033
  H        15.0624934328       24.4565074763       16.3913258076
  H        13.0324032867       24.8406979589       14.9800227852
  H        11.9932611830       24.6146654636       16.3859718610
  H        12.0985349614       22.5389635721       15.0154172736
  H        13.8560583307       22.5306534072       15.1094829177
  H        14.2530105067       19.6715883046       18.4829136242
  H        12.7055892156       17.2580400738       17.3999486010
  H        14.3901473663       17.6369823101       17.0363978822
  H        14.2038424814       15.9600021710       18.8962137863
  H        14.9785385820       17.4402042760       19.4525190338
  H        12.0439457098       16.6476907023       19.8988131088
  H        13.2977382415       16.7214086020       21.1311152887
  H        11.7966061026       18.7562815554       21.1657764277
  H        13.4896946707       19.1726289440       20.8807258501
  H        11.2820210925       18.9759279435       18.7544708448
  H        12.0345904239       20.4559559127       19.3406045689
  H        16.2152899845       19.4889706936       17.3955922577
  H        16.2254164905       21.8076076228       15.9972071521
  H        17.6713354995       21.4548270098       13.8346832177
  H        16.1635333164       19.7370237139       12.5103635999
  H        16.1152370096       17.4167927651       13.9062236116
  H        17.6214114852       17.7119710587       16.0412177573
  H        18.9920294485       19.1077179512       14.1633179962
  H        19.0048635363       20.0250945021       15.7104355988
 Rh         5.9483678299       10.0589168307       14.9889245628
  P         4.1621092864        9.6100895224       13.5883623993
  C         3.8140821420        7.8532149615       13.0834973294
  C         3.7571453550        6.9377447789       14.3247977864
  C         3.6945059659        5.4506968933       13.9395589681
  C         4.8685958294        5.0676768985       13.0354248120
  C         4.8182578240        5.8954662659       11.7502235196
  C         4.8663967096        7.3999222503       12.0542018738
  C         2.5749733537       10.2025583550       14.3652111188
  C         2.6414257833       10.1065445949       15.8973302088
  P         4.3222404004       10.5973563886       16.5345129994
  C         4.1495342585       12.3762197916       17.0374946903
  C         4.0249523870       13.2571155799       15.7747612848
  C         4.0866964593       14.7585373036       16.0924417602
  C         5.3646019382       15.0889435154       16.8673327253
  C         5.4001336804       14.2935577874       18.1741062763
  C         5.3411033815       12.7824205779       17.9282052697
  C         4.5570098689        9.6543422303       18.1114050911
  C         4.8832550910        8.1727818085       17.8402451826
  C         5.1856762843        7.4430061626       19.1567985796
  C         4.0111904091        7.5636154151       20.1383565895
  C         3.3897340198        9.8063910937       19.1003894595
  C         3.6655648279        9.0365624631       20.4044686203
  C         4.3600242115       10.5665445622       12.0117771072
  C         4.7183135834       12.0426706820       12.2735516105
  C         5.0408944835       12.7614317540       10.9532296796
  C         3.8869295237       12.6424218435        9.9476699036
  C         3.4853489855       11.1777775704        9.7221851501
  C         3.1741383426       10.4536843423       11.0444942703
  C         7.7736022048       11.1887667827       15.5611788045
  C         7.5745724032        8.6942963223       14.3601690317
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 Rh        12.6531371904        9.8060753620        4.6979505164
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  C        14.7078148928       12.8024609301        5.4868211101
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  C        13.5148787196       14.6892037869        6.7179679637
  C        13.2600613292       13.7506082247        7.9009396018
  C        13.1635741640       12.2921815134        7.4294351211
  C        15.9571887293        9.6281565851        5.4507449156
  C        15.9756542305        9.8344789936        3.9236390558
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  C        14.3788414935        7.6370586047        2.7168469875
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  C        14.4461027557        5.2356392532        3.6063988956
  C        13.1206549318        4.9332813818        2.9012044842
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  C        13.1049346937        7.2722099118        1.9279392107
  C        14.1101180466       10.3441707771        1.6029138445
  C        13.9047110337       11.8524700201        1.8363647522
  C        13.5369925303       12.5555619054        0.5219934791
  C        14.5816297936       12.2924294928       -0.5710379322
  C        15.1740278431       10.0674107273        0.5305640987
  C        14.8153815190       10.7885878511       -0.7804259198
  C        14.1384149488        9.1573894320        7.7893100493
  C        13.7827296618        7.6675688625        7.6453292926
  C        13.4258135780        7.0846258186        9.0222238082
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  C        15.3422905566        9.3297751575        8.7299197533
  C        10.4945598209        9.9290128073        3.4438203606
  C        10.8866494315        9.4601181697        6.1703620144
  C         9.6334665175       10.1912192908        5.6649988874
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  C        10.0158252278       11.0388210757        4.4265352680
  C        11.1270320742        8.3925739322        5.2890233613
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  H        13.9098680785       12.7019480033        4.7348653734
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  H        13.0047271760       11.6379898534        8.2905603472
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  H        14.5534982077        4.6463348283        4.5290408837
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  H        14.8201591806       12.2975281787        2.2481886052
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  H        13.4307448204       13.6351439819        0.6986516092
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  H        15.6173857518       10.6255678484       -1.5158766068
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  H        14.6350589173        7.1200988092        7.2174060079
  H        13.1456622451        6.0266292761        8.9240450674
  H        12.5343217431        7.6043325900        9.4052073905
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  H        15.4287338983        6.6212392631        9.6939952585
  H        15.9366558746        8.7926553587       10.7412166742
  H        14.2493789798        9.3050424239       10.5947974826
  H        16.2166627955        8.8354828731        8.2874477084
  H        15.6086035782       10.3867985939        8.8527088350
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  H         8.5403846520        8.2430818497        5.6641213431
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  H         9.1450326728       11.5747535217        4.0257677118
  H        11.6025128570        7.4374445457        5.5017669230
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  F         7.3491631083       10.8246361749       -0.2361686182
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  C         6.9935275154        8.8482505048        1.6641401911
  C         6.4462677846        7.8481624287        2.4612545002
  C         5.5494305368        8.1621783119        3.4960506899
  C         5.1606383508        9.4860124573        3.7761096849
  C         5.7363740751       10.4837425463        2.9586372370
  B         4.2410741567        9.9002366650        5.0776814608
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  C         2.5884035499        7.8524212506        4.6586545078
  C         1.6599388747        6.8795764740        5.0585362734
  C         1.2954279854        6.7383624059        6.3995355098
  C         1.8877115666        7.6073972181        7.3250669892
  C         2.8224381372        8.5683058713        6.9165462088
  C         1.5835129514        7.5071663911        8.7952072116
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  F         2.6870691987        7.1596592162        9.5338951401
  F         1.1747560577        8.7182101983        9.3120658187
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  F         0.1941220112        5.0746782038        4.3302454281
  F         0.6518552396        6.7257412628        2.9280789090
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  C         5.8947191440        9.1918319225        6.9543292718
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  C         5.8577592705       11.5265099556        6.4938804948
  C         7.3347322075       13.1428167555        7.6994448545
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  F         6.3558380440       14.0812056839        7.4844678569
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  F         7.4253830151        7.1002587773        7.7768437590
  F         6.2867814095        7.7315424185        9.5347814877
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  C         2.6325615088       11.2903597821        3.5286239968
  C         1.6668870280       12.2672866062        3.2886784296
  C         1.2679805297       13.1623430179        4.2817385742
  C         1.8562637902       13.0326603525        5.5376329405
  C         2.8072727307       12.0328530613        5.7891971840
  C         1.1055895296       12.3797269547        1.9154384982
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  F         1.8932935148       13.1555262277        1.0975518335
  F        -0.1576453528       12.9026361019        1.9036254681
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  F         7.4984955614        5.8847869166        3.2979663961
  F         5.7121945903        5.6252419028        2.0530723948
  F         0.7126177681       15.0295915642        6.2355068759
  F         0.8948216969       13.3791490687        7.6960043530
  F         2.6778871520       14.5684691432        7.1196361110
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  H         7.6799721331        8.6037429818        0.8586092291
  H         5.1485678478        7.3484193864        4.0992471144
  H         5.4834207109       11.5286933665        3.1335130279
  H         2.8319710993        7.9281630621        3.5993192777
  H         0.5931816386        5.9708731336        6.7130861912
  H         3.2642788023        9.2126172314        7.6751510299
  H         5.5626093856        8.1766681218        6.7470218596
  H         8.0529590585       10.8352290778        9.0313715480
  H         5.4917038974       12.3838340139        5.9314054613
  H         2.9141202614       10.6201716246        2.7181303353
  H         0.5354083212       13.9366463459        4.0786837752
  H         3.2267972025       11.9561609302        6.7918151569
  F         9.9828250383        8.3886670026       18.4855134679
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  F        11.9352103129        7.4691632616       18.8445407907
  F        11.2165494766        9.0173012300       20.2226757862
  C        11.8821213428        9.7242908400       18.0215911441
  C        11.4405081843       11.0395555896       18.2039365479
  C        11.8890471049       12.0127822669       17.3110952029
  C        12.7683210610       11.6831143991       16.2711882581
  C        13.2416694700       10.3733531682       16.0772541061
  C        12.7602151241        9.4007220232       16.9792578713
  B        14.1533460140        9.9814726522       14.7701817137
  C        15.1596381191       11.1866052554       14.3000871672
  C        15.7601275441       12.0583808180       15.2240429904
  C        16.7001798910       13.0216980214       14.8367483632
  C        17.0859667574       13.1505310071       13.4976286373
  C        16.5061435096       12.2857845424       12.5611872825
  C        15.5690861039       11.3253660517       12.9600532892
  C        16.8420537012       12.3971128247       11.0967594487
  F        17.8574395735       13.2698316903       10.8525888913
  F        15.7543757457       12.8159954247       10.3459968436
  F        17.2353210054       11.1906354054       10.5610948701
  C        17.2383518998       13.9422663098       15.8965000950
  F        16.2460342899       14.6728553994       16.4976620408
  F        18.1482873455       14.8384691407       15.4056848554
  F        17.8385983586       13.2541504565       16.9334067641
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  C        12.4458375288       10.6744190137       12.8453715998
  C        11.4659570649       10.4124679407       11.8784375978
  C        11.0451843467        9.1066794737       11.6255531954
  C        11.6004434147        8.0759232998       12.3857449093
  C        12.5706704921        8.3419124915       13.3576248374
  C        11.0267114030        6.6992596781       12.2313510091
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  F        11.9227221832        5.6914475469       12.4655000213
  F        10.0059339580        6.4973656978       13.1315863081
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  F         9.7392534392       11.1776133834       10.4113556508
  F        10.6239995461       12.6600117727       11.7441071097
  F        11.7671531017       11.8878804996       10.0448451556
  C        15.1883444668        8.7395665989       15.0511021462
  C        15.8539761250        8.5657763480       16.2868453196
  C        16.8097195034        7.5595689963       16.4632149310
  C        17.1191494817        6.6722537728       15.4288242809
  C        16.4812995445        6.8320478855       14.2066651488
  C        15.5534214138        7.8617276246       14.0146308796
  C        17.4841160347        7.2671021947       17.7705716774
  F        17.6133603897        8.3288181833       18.6219835978
  F        16.7936743527        6.3148181088       18.4802666283
  F        18.7589588792        6.7893139683       17.5408139687
  C        11.3920982551       13.4253146482       17.4308780927
  F        10.7857702079       13.6684725620       18.6261262360
  F        10.4814946561       13.7338038373       16.4322051971
  F        12.4023351151       14.3404798323       17.3058523960
  F        17.6307380757        4.8720968830       13.4875033081
  F        17.3767041168        6.5267644665       12.0281604631
  F        15.6566739348        5.2688932174       12.6112387344
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  H        10.7525375994       11.2956458510       19.0047724723
  H        13.0880670892       12.4717964886       15.5912913156
  H        13.0638774225        8.3627588462       16.8560901220
  H        15.4864700681       11.9926990399       16.2761111598
  H        17.7987682043       13.9106930062       13.1926740159
  H        15.1429379966       10.6710695090       12.2010249608
  H        12.7466158365       11.7080716121       13.0149879557
  H        10.2871854532        8.8977945403       10.8768929877
  H        12.9613191970        7.5110529341       13.9423307536
  H        15.6254612106        9.2287242225       17.1207453063
  H        17.8346012422        5.8722483915       15.5805655701
  H        15.1007672194        7.9733673165       13.0305164471
  F         2.7317566483       18.6332069634       20.0995819837
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  F         1.4062123693       18.0786775419       18.4736545326
  F         3.3592077097       17.0876320643       18.6313337435
  C         3.3374231511       19.3552895233       17.9092651889
  C         4.1809906814       19.0329689398       16.8412770154
  C         4.6942284265       20.0195284470       15.9753510588
  C         4.2803927739       21.3392049010       16.2270897813
  C         3.4387488003       21.6638066457       17.2991429672
  C         2.9613700327       20.6779192177       18.1583188010
  C         2.9235473865       23.0641698496       17.4345011074
  F         2.2994742586       23.2923310257       18.6247438387
  F         3.9023459788       24.0238382851       17.3054642390
  F         1.9923679649       23.2936753615       16.4316293856
  B         5.6122137770       19.6350673721       14.6733837546
  C         6.6467251473       18.4069882225       14.9722244246
  C         7.2636002004       18.2734961726       16.2282709903
  C         8.2433965852       17.3070109202       16.4689186217
  C         8.6477867671       16.4206440697       15.4703586484
  C         8.0500778948       16.5411734672       14.2164131178
  C         7.0813227975       17.5219888106       13.9696568017
  C         8.4237207333       15.5962919316       13.1144816524
  F         7.3130884008       15.0304939963       12.5392710184
  F         9.2160059900       14.5686929804       13.5620121239
  F         9.1081296696       16.2276034348       12.1008656030
  C         8.7839248776       17.1546452518       17.8522802322
  F         8.9100813247       18.3671925438       18.4838638513
  F        10.0145915595       16.5639169554       17.8929047640
  F         7.9538690991       16.3792294557       18.6304488698
  C         6.6362117930       20.8458531856       14.2690415323
  C         7.2176770117       21.6923686067       15.2321343364
  C         8.1650656369       22.6642054950       14.8901339858
  C         8.5885488206       22.8209166511       13.5669144033
  C         8.0391636101       21.9735954752       12.6044924725
  C         7.0875466256       21.0085400616       12.9492254644
  C         8.4039351262       22.1119114737       11.1582409624
  F         8.8235142763       20.9051483414       10.6313472154
  F         9.3800562158       23.0319139048       10.9271023095
  F         7.3247788321       22.5145231878       10.4082195433
  C         8.6822188533       23.5843557851       15.9567247262
  F         9.6016048959       24.4687505906       15.4764176591
  F         7.6877328924       24.3575915370       16.5043220672
  F         9.2705834180       22.8895294846       17.0031223334
  C         4.5417918882       19.2815229630       13.4817403983
  C         4.0520498478       17.9787775416       13.2702476793
  C         3.0838803481       17.6950202458       12.2958970092
  C         2.5604317704       18.7111704661       11.4956191238
  C         3.0190286326       20.0177484637       11.7028901792
  C         3.9796884305       20.2946919730       12.6792962116
  C         2.3992083898       21.1151729035       10.8867697846
  F         2.3720332844       20.7825664014        9.5418696536
  F         1.0901331604       21.3345276310       11.2600396457
  F         3.0362179241       22.3168593157       10.9980109249
  C         2.5089469677       16.3087872100       12.1875139002
  F         1.9322882327       16.0519151565       10.9842770254
  F         3.4285805816       15.3140047901       12.3964035165
  F         1.5223837618       16.1209822934       13.1305923846
  H         4.4360156600       17.9886453737       16.6723027793
  H         4.6142743311       22.1390077419       15.5674051743
  H         2.2958739338       20.9281334906       18.9801772427
  H         6.9767679836       18.9400803949       17.0401834498
  H         9.3895042025       15.6538737915       15.6700375009
  H         6.6541399572       17.5883626798       12.9700863504
  H         6.9216483243       21.6021285394       16.2765981368
  H         9.3070253026       23.5868067081       13.2935577161
  H         6.6858592087       20.3709272893       12.1631184897
  H         4.4287477558       17.1592959032       13.8809661175
  H         1.8073162029       18.4931457050       10.7425290095
  H         4.2984562282       21.3262001462       12.8173897672
  F        15.6186663214        1.2751315098       -0.2930706023
  C        15.6626666681        1.6683861790        1.0283896588
  F        16.9917876494        1.8963561993        1.3185446574
  F        15.0495117985        2.8843886913        1.1016249989
  C        15.0751896713        0.6116039917        1.9254096499
  C        14.2216407882        0.9228305979        2.9903121038
  C        13.7250882149       -0.0725299374        3.8609056350
  C        14.1637619834       -1.3852713016        3.6252236071
  C        15.0053122692       -1.7038019694        2.5551667099
  C        15.4670321523       -0.7124577155        1.6887454928
  C        15.4678560386       -3.1196185174        2.3834430471
  F        16.0486508989       -3.3177970766        1.1712961505
  F        14.4476148061       -4.0413921788        2.4963593669
  F        16.4090524058       -3.4512421700        3.3542352030
  B        12.7847294200        0.2720124548        5.1556621199
  C        11.7370597232        1.4857772372        4.8435739034
  C        11.1275105105        1.5990447022        3.5792069070
  C        10.1462343495        2.5581063453        3.3183767415
  C         9.7311866958        3.4572762510        4.3052673381
  C        10.3174746118        3.3542422106        5.5641956977
  C        11.2917578172        2.3815989766        5.8296377481
  C         9.9537571341        4.3111258822        6.6592201150
  F        11.0922171822        4.8784070222        7.1887143349
  F         9.1359424230        5.3323236748        6.2381226041
  F         9.3073157797        3.6817069440        7.6991398225
  C         9.6229004519        2.7206704985        1.9275834540
  F         9.4967241068        1.5339911497        1.2493942251
  F         8.4024518260        3.3408960648        1.9033801839
  F        10.4693320126        3.4763471627        1.1630950751
  C        11.7796544156       -0.9591920546        5.5488586813
  C        11.2362557463       -1.8325428680        4.5890314540
  C        10.2892201837       -2.8057302853        4.9261457659
  C         9.8270888934       -2.9404639116        6.2382648597
  C        10.3411390489       -2.0707420087        7.1987091760
  C        11.2958497435       -1.1042966633        6.8605322073
  C         9.9460491748       -2.1877563934        8.6396510996
  F         9.5859127222       -0.9741511224        9.1687143723
  F         8.9077030328       -3.0503025874        8.8701569728
  F        11.0139893779       -2.6144408298        9.3929726088
  C         9.7507253891       -3.6982878680        3.8494175754
  F         8.8176581675       -4.5678369932        4.3252379987
  F        10.7195953636       -4.4526348329        3.2287021978
  F         9.1410521363       -2.9678267910        2.8538830222
  C        13.8515989613        0.6101848663        6.3522092077
  C        14.3439440446        1.9090112767        6.5630835739
  C        15.3258425474        2.1849717080        7.5243956416
  C        15.8701618906        1.1701534358        8.3081784148
  C        15.4108220081       -0.1348064888        8.0990510166
  C        14.4264236519       -0.4068234280        7.1429473851
  C        16.0228577457       -1.2295530551        8.9217575393
  F        16.0411721044       -0.8757654240       10.2617124492
  F        17.3296371712       -1.4916830865        8.5808726197
  F        15.3720924504       -2.4177377836        8.8047008608
  C        15.8738605476        3.5757714978        7.6210531307
  F        16.4771113336        3.8574159050        8.8088718694
  F        14.9139244068        4.5284613036        7.4081209977
  F        16.8299841521        3.7883150436        6.6591244062
  H        13.9387999483        1.9626659911        3.1485357990
  H        13.8406388307       -2.1862738985        4.2889981258
  H        16.1259866895       -0.9610050152        0.8613259357
  H        11.4245875190        0.9245305029        2.7771665061
  H         8.9905735293        4.2217812556        4.0918187698
  H        11.7171067265        2.3337919592        6.8312013253
  H        11.5541797124       -1.7571541713        3.5497724476
  H         9.1003378447       -3.7008032037        6.5048853776
  H        11.6688938840       -0.4453264451        7.6434244533
  H        13.9599357057        2.7327295646        5.9629967931
  H        16.6336962401        1.3880748782        9.0508989823
  H        14.1000967872       -1.4368933588        7.0102221341
  H        10.7857048155       11.7898584067        4.6486664791
  H        11.5848262418       10.0148282348        3.1199085565
     646
 i =      183, E =         0.0043767296
 Rh         3.6527685834        0.2422294508        4.8235439431
  P         5.3951664552        0.6393545696        6.2923851472
  C         5.2321588216       -0.3147945044        7.8713274860
  C         4.8484053440       -1.7905738117        7.6488372409
  C         4.5346446527       -2.4593788453        8.9974223881
  C         5.7152059622       -2.3487387176        9.9724947239
  C         6.1795770825       -0.8943411265       10.1428309908
  C         6.4563338926       -0.2071116305        8.7939586444
  C         5.6699692952        2.4070803270        6.8137774147
  C         4.6323127836        2.8289411818        7.8770578874
  C         4.6568462787        4.3365445818        8.1752537222
  C         4.5540441805        5.1700443860        6.8951378011
  C         5.6847354092        4.8048012964        5.9306883189
  C         5.6310262901        3.3152177763        5.5649445288
  C         7.0092397768        0.1026216444        5.5230883127
  C         6.9799972828        0.2387318211        3.9910786564
  P         5.3177711519       -0.2383152374        3.2974270031
  C         5.4899712786       -2.0241477197        2.7968883871
  C         4.4097344896       -2.4056609694        1.7643929397
  C         4.3909272046       -3.9105091922        1.4733473285
  C         4.2565054085       -4.7404746409        2.7518764438
  C         5.4027958818       -4.4200475908        3.7153099527
  C         5.4332180242       -2.9211915371        4.0544087481
  C         5.1154474802        0.6964319486        1.7113175753
  C         4.8281644805        2.1944181225        1.9316351335
  C         4.4301280755        2.8472745310        0.5970778022
  C         5.5149279033        2.6540032589       -0.4737467715
  C         5.8858495510        1.1721104317       -0.6454677433
  C         6.2531777377        0.5065966700        0.6941109434
  C         1.8934576407        0.3177233008        3.4711973615
  C         1.9145944410       -0.9267910949        4.1069445670
  C         1.0824724113       -0.7806425979        5.3959330255
  C         1.9549497372        0.1558284497        6.2598325892
  C         1.9332593401        1.3992436948        5.6260202668
  C         1.0468852260        1.2425422617        4.3740229780
  C         0.0023184656        0.2225731065        4.9055956707
  H         4.3770320243        0.1740574693        8.3674813852
  H         5.6785332147       -2.3223843579        7.1597541368
  H         3.9864379095       -1.8621123007        6.9680560370
  H         4.2641437780       -3.5134629819        8.8423745690
  H         3.6488137881       -1.9748341112        9.4339145432
  H         5.4356349004       -2.7701993193       10.9490664595
  H         6.5513371858       -2.9589833667        9.6049648668
  H         7.0880509946       -0.8511473491       10.7617546177
  H         5.4004525890       -0.3272984088       10.6760696009
  H         6.7403385130        0.8403734929        8.9594342052
  H         7.3148893143       -0.6878040689        8.3074676514
  H         6.6763764238        2.4635202808        7.2595962468
  H         4.8063424607        2.2733749906        8.8082168738
  H         3.6248381246        2.5486046593        7.5390262472
  H         5.5891832623        4.5945276121        8.6977181815
  H         3.8363271944        4.5778932388        8.8663037413
  H         4.5775901996        6.2406798832        7.1416109060
  H         3.5849191376        4.9921715545        6.4058046283
  H         6.6524933012        5.0408043726        6.3938564625
  H         5.6270258013        5.4004419968        5.0101903908
  H         6.4629220754        3.0645118108        4.8904097210
  H         4.7050056624        3.1098348201        5.0030420024
  H         7.8455449413        0.6681736337        5.9585619436
  H         7.1535385304       -0.9484870403        5.8111908767
  H         7.7740896640       -0.3592814411        3.5208927525
  H         7.1484984267        1.2836833394        3.6954472246
  H         6.4815103368       -2.1356014346        2.3283067726
  H         4.5707233415       -1.8562786807        0.8266716467
  H         3.4195160703       -2.0985666774        2.1276060909
  H         5.3197317078       -4.1905855423        0.9556859515
  H         3.5671792665       -4.1283798770        0.7812980412
  H         4.2381125843       -5.8105681502        2.5028873346
  H         3.2919027970       -4.5276471215        3.2367969149
  H         5.3041693820       -4.9929090858        4.6497151547
  H         6.3594696869       -4.7196712431        3.2628637927
  H         6.2915131908       -2.7065900780        4.7074629166
  H         4.5322468574       -2.6598728473        4.6328725603
  H         4.1991693038        0.2514139728        1.2877958610
  H         5.7240933382        2.6924506080        2.3313616976
  H         4.0337173242        2.3238196772        2.6827542575
  H         4.2265089207        3.9165750020        0.7473156865
  H         3.4870888861        2.3989182436        0.2500974585
  H         6.4118317281        3.2248996708       -0.1923148183
  H         5.1733422622        3.0706796935       -1.4324439564
  H         6.7263543063        1.0680392167       -1.3472519799
  H         5.0336060422        0.6331907092       -1.0897115664
  H         7.1718380628        0.9595152412        1.0883952383
  H         6.4713175402       -0.5574209747        0.5362758561
  H         2.1298444501        0.5251106612        2.4313143365
  H         2.1797099045       -1.8846460653        3.6690005741
  H         0.7616870610       -1.7122916140        5.8680985608
  H         2.2458040796       -0.0520716566        7.2855327864
  H         2.2156557818        2.3582318093        6.0506086840
  H         0.6910859518        2.1702415061        3.9187548495
  H        -0.6135409328        0.6217727446        5.7179210068
  H        -0.6326261479       -0.1897025451        4.1142787258
 Rh        14.7223224189       19.6402639320       14.9720022371
  P        12.9680950180       19.2125601153       13.5207882472
  C        13.1415203293       20.1924468527       11.9556219584
  C        13.5163056617       21.6649465314       12.2111948613
  C        13.8471035768       22.3685456275       10.8847369223
  C        12.6827913999       22.2701851488        9.8890348158
  C        12.2409790344       20.8143706273        9.6773457408
  C        11.9384849270       20.0965945481       11.0055112237
  C        12.6829811797       17.4545944738       12.9708097225
  C        13.7012393369       17.0364475689       11.8886366358
  C        13.6223382148       15.5372737784       11.5604264810
  C        13.7738441687       14.6859546396       12.8239563065
  C        12.6798461661       15.0386218593       13.8360342355
  C        12.7259692991       16.5291864600       14.2074718798
  C        11.3499214507       19.7262252388       14.3057859448
  C        11.4082345732       19.6556348730       15.8425043026
  P        13.0766952343       20.1636520590       16.5004918540
  C        12.8973630378       21.9575988707       16.9614065161
  C        13.9812167350       22.3917505550       17.9701947453
  C        13.9870704917       23.9110355914       18.1948583473
  C        14.1014662947       24.6823546656       16.8769498839
  C        12.9504718489       24.3103132606       15.9394578454
  C        12.9443533980       22.7998808684       15.6670703737
  C        13.3268477588       19.2283043780       18.0795228199
  C        13.6088622075       17.7375020916       17.8061442647
  C        14.0214607935       17.0245146714       19.1025864087
  C        12.9549658406       17.1876815684       20.1960799928
  C        12.6163256662       18.6679595867       20.4374054674
  C        12.2228314455       19.3944336254       19.1360897292
  C        16.4621810755       19.6178323036       16.3457535038
  C        16.4759287505       20.8170982633       15.6275492823
  C        17.3218070687       20.5651769427       14.3637964075
  C        16.4380869398       19.5931200976       13.5513370382
  C        16.4203343242       18.3950674982       14.2675455164
  C        17.2960270969       18.6146937364       15.5184611098
  C        18.3725262451       19.5739654780       14.9368823770
  H        14.0086267473       19.7148622019       11.4690725091
  H        12.6759940172       22.1818955098       12.6982077583
  H        14.3676833655       21.7237954961       12.9067622381
  H        14.1026795039       23.4206315825       11.0728792530
  H        14.7462659055       21.9053297932       10.4517801521
  H        12.9708681999       22.7196935999        8.9272150745
  H        11.8330506731       22.8600150795       10.2603508707
  H        11.3490869136       20.7744968326        9.0346778319
  H        13.0401289182       20.2682264296        9.1519216894
  H        11.6668647298       19.0510481783       10.8113190147
  H        11.0646446842       20.5602977609       11.4814428013
  H        11.6720491504       17.4146206793       12.5329719579
  H        13.5344330276       17.6198081611       10.9731567583
  H        14.7209363094       17.2760577839       12.2240813956
  H        12.6552052650       15.3133152817       11.0871385079
  H        14.3972316338       15.2867748923       10.8216130055
  H        13.7426654063       13.6173513191       12.5683405347
  H        14.7629810462       14.8590055123       13.2742509469
  H        11.6970571629       14.7850344192       13.4151773103
  H        12.7897820201       14.4470673515       14.7550881664
  H        11.8934844151       16.7706241488       14.8857730522
  H        13.6500941310       16.7344575169       14.7715930523
  H        10.5308286929       19.1053721035       13.9144017020
  H        11.1507520430       20.7551218268       13.9748458568
  H        10.6180338745       20.2679054948       16.3008255963
  H        11.2494879533       18.6230730774       16.1836771836
  H        11.9071223884       22.0794250358       17.4294781898
  H        13.8298338052       21.8811986563       18.9312547762
  H        14.9724870867       22.0799563554       17.6129115902
  H        13.0611914353       24.2074561817       18.7085445649
  H        14.8161351028       24.1709775581       18.8664899283
  H        14.1142818966       25.7628507087       17.0739677033
  H        15.0624934328       24.4565074763       16.3913258076
  H        13.0324032867       24.8406979589       14.9800227852
  H        11.9932611830       24.6146654636       16.3859718610
  H        12.0985349614       22.5389635721       15.0154172736
  H        13.8560583307       22.5306534072       15.1094829177
  H        14.2530105067       19.6715883046       18.4829136242
  H        12.7055892156       17.2580400738       17.3999486010
  H        14.3901473663       17.6369823101       17.0363978822
  H        14.2038424814       15.9600021710       18.8962137863
  H        14.9785385820       17.4402042760       19.4525190338
  H        12.0439457098       16.6476907023       19.8988131088
  H        13.2977382415       16.7214086020       21.1311152887
  H        11.7966061026       18.7562815554       21.1657764277
  H        13.4896946707       19.1726289440       20.8807258501
  H        11.2820210925       18.9759279435       18.7544708448
  H        12.0345904239       20.4559559127       19.3406045689
  H        16.2152899845       19.4889706936       17.3955922577
  H        16.2254164905       21.8076076228       15.9972071521
  H        17.6713354995       21.4548270098       13.8346832177
  H        16.1635333164       19.7370237139       12.5103635999
  H        16.1152370096       17.4167927651       13.9062236116
  H        17.6214114852       17.7119710587       16.0412177573
  H        18.9920294485       19.1077179512       14.1633179962
  H        19.0048635363       20.0250945021       15.7104355988
 Rh         5.9483678299       10.0589168307       14.9889245628
  P         4.1621092864        9.6100895224       13.5883623993
  C         3.8140821420        7.8532149615       13.0834973294
  C         3.7571453550        6.9377447789       14.3247977864
  C         3.6945059659        5.4506968933       13.9395589681
  C         4.8685958294        5.0676768985       13.0354248120
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 Rh        12.6531371904        9.8060753620        4.6979505164
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  F         0.1941220112        5.0746782038        4.3302454281
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  F         7.4984955614        5.8847869166        3.2979663961
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  F        11.2165494766        9.0173012300       20.2226757862
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  C        12.7602151241        9.4007220232       16.9792578713
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  C        15.7601275441       12.0583808180       15.2240429904
  C        16.7001798910       13.0216980214       14.8367483632
  C        17.0859667574       13.1505310071       13.4976286373
  C        16.5061435096       12.2857845424       12.5611872825
  C        15.5690861039       11.3253660517       12.9600532892
  C        16.8420537012       12.3971128247       11.0967594487
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  F        15.7543757457       12.8159954247       10.3459968436
  F        17.2353210054       11.1906354054       10.5610948701
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  F        18.1482873455       14.8384691407       15.4056848554
  F        17.8385983586       13.2541504565       16.9334067641
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  C        12.4458375288       10.6744190137       12.8453715998
  C        11.4659570649       10.4124679407       11.8784375978
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  C        11.0267114030        6.6992596781       12.2313510091
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  F        11.9227221832        5.6914475469       12.4655000213
  F        10.0059339580        6.4973656978       13.1315863081
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  F        10.6239995461       12.6600117727       11.7441071097
  F        11.7671531017       11.8878804996       10.0448451556
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  C        15.8539761250        8.5657763480       16.2868453196
  C        16.8097195034        7.5595689963       16.4632149310
  C        17.1191494817        6.6722537728       15.4288242809
  C        16.4812995445        6.8320478855       14.2066651488
  C        15.5534214138        7.8617276246       14.0146308796
  C        17.4841160347        7.2671021947       17.7705716774
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  F        16.7936743527        6.3148181088       18.4802666283
  F        18.7589588792        6.7893139683       17.5408139687
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  F        10.4814946561       13.7338038373       16.4322051971
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  F        17.3767041168        6.5267644665       12.0281604631
  F        15.6566739348        5.2688932174       12.6112387344
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  H        10.7525375994       11.2956458510       19.0047724723
  H        13.0880670892       12.4717964886       15.5912913156
  H        13.0638774225        8.3627588462       16.8560901220
  H        15.4864700681       11.9926990399       16.2761111598
  H        17.7987682043       13.9106930062       13.1926740159
  H        15.1429379966       10.6710695090       12.2010249608
  H        12.7466158365       11.7080716121       13.0149879557
  H        10.2871854532        8.8977945403       10.8768929877
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  H        17.8346012422        5.8722483915       15.5805655701
  H        15.1007672194        7.9733673165       13.0305164471
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  C         4.2803927739       21.3392049010       16.2270897813
  C         3.4387488003       21.6638066457       17.2991429672
  C         2.9613700327       20.6779192177       18.1583188010
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  C         7.2636002004       18.2734961726       16.2282709903
  C         8.2433965852       17.3070109202       16.4689186217
  C         8.6477867671       16.4206440697       15.4703586484
  C         8.0500778948       16.5411734672       14.2164131178
  C         7.0813227975       17.5219888106       13.9696568017
  C         8.4237207333       15.5962919316       13.1144816524
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  F         7.9538690991       16.3792294557       18.6304488698
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  C         7.2176770117       21.6923686067       15.2321343364
  C         8.1650656369       22.6642054950       14.8901339858
  C         8.5885488206       22.8209166511       13.5669144033
  C         8.0391636101       21.9735954752       12.6044924725
  C         7.0875466256       21.0085400616       12.9492254644
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  F         7.6877328924       24.3575915370       16.5043220672
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  C         4.0520498478       17.9787775416       13.2702476793
  C         3.0838803481       17.6950202458       12.2958970092
  C         2.5604317704       18.7111704661       11.4956191238
  C         3.0190286326       20.0177484637       11.7028901792
  C         3.9796884305       20.2946919730       12.6792962116
  C         2.3992083898       21.1151729035       10.8867697846
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  F         1.0901331604       21.3345276310       11.2600396457
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  F         3.4285805816       15.3140047901       12.3964035165
  F         1.5223837618       16.1209822934       13.1305923846
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  H         6.9767679836       18.9400803949       17.0401834498
  H         9.3895042025       15.6538737915       15.6700375009
  H         6.6541399572       17.5883626798       12.9700863504
  H         6.9216483243       21.6021285394       16.2765981368
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  H         1.8073162029       18.4931457050       10.7425290095
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  F        15.0495117985        2.8843886913        1.1016249989
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  C        14.2216407882        0.9228305979        2.9903121038
  C        13.7250882149       -0.0725299374        3.8609056350
  C        14.1637619834       -1.3852713016        3.6252236071
  C        15.0053122692       -1.7038019694        2.5551667099
  C        15.4670321523       -0.7124577155        1.6887454928
  C        15.4678560386       -3.1196185174        2.3834430471
  F        16.0486508989       -3.3177970766        1.1712961505
  F        14.4476148061       -4.0413921788        2.4963593669
  F        16.4090524058       -3.4512421700        3.3542352030
  B        12.7847294200        0.2720124548        5.1556621199
  C        11.7370597232        1.4857772372        4.8435739034
  C        11.1275105105        1.5990447022        3.5792069070
  C        10.1462343495        2.5581063453        3.3183767415
  C         9.7311866958        3.4572762510        4.3052673381
  C        10.3174746118        3.3542422106        5.5641956977
  C        11.2917578172        2.3815989766        5.8296377481
  C         9.9537571341        4.3111258822        6.6592201150
  F        11.0922171822        4.8784070222        7.1887143349
  F         9.1359424230        5.3323236748        6.2381226041
  F         9.3073157797        3.6817069440        7.6991398225
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  F         9.4967241068        1.5339911497        1.2493942251
  F         8.4024518260        3.3408960648        1.9033801839
  F        10.4693320126        3.4763471627        1.1630950751
  C        11.7796544156       -0.9591920546        5.5488586813
  C        11.2362557463       -1.8325428680        4.5890314540
  C        10.2892201837       -2.8057302853        4.9261457659
  C         9.8270888934       -2.9404639116        6.2382648597
  C        10.3411390489       -2.0707420087        7.1987091760
  C        11.2958497435       -1.1042966633        6.8605322073
  C         9.9460491748       -2.1877563934        8.6396510996
  F         9.5859127222       -0.9741511224        9.1687143723
  F         8.9077030328       -3.0503025874        8.8701569728
  F        11.0139893779       -2.6144408298        9.3929726088
  C         9.7507253891       -3.6982878680        3.8494175754
  F         8.8176581675       -4.5678369932        4.3252379987
  F        10.7195953636       -4.4526348329        3.2287021978
  F         9.1410521363       -2.9678267910        2.8538830222
  C        13.8515989613        0.6101848663        6.3522092077
  C        14.3439440446        1.9090112767        6.5630835739
  C        15.3258425474        2.1849717080        7.5243956416
  C        15.8701618906        1.1701534358        8.3081784148
  C        15.4108220081       -0.1348064888        8.0990510166
  C        14.4264236519       -0.4068234280        7.1429473851
  C        16.0228577457       -1.2295530551        8.9217575393
  F        16.0411721044       -0.8757654240       10.2617124492
  F        17.3296371712       -1.4916830865        8.5808726197
  F        15.3720924504       -2.4177377836        8.8047008608
  C        15.8738605476        3.5757714978        7.6210531307
  F        16.4771113336        3.8574159050        8.8088718694
  F        14.9139244068        4.5284613036        7.4081209977
  F        16.8299841521        3.7883150436        6.6591244062
  H        13.9387999483        1.9626659911        3.1485357990
  H        13.8406388307       -2.1862738985        4.2889981258
  H        16.1259866895       -0.9610050152        0.8613259357
  H        11.4245875190        0.9245305029        2.7771665061
  H         8.9905735293        4.2217812556        4.0918187698
  H        11.7171067265        2.3337919592        6.8312013253
  H        11.5541797124       -1.7571541713        3.5497724476
  H         9.1003378447       -3.7008032037        6.5048853776
  H        11.6688938840       -0.4453264451        7.6434244533
  H        13.9599357057        2.7327295646        5.9629967931
  H        16.6336962401        1.3880748782        9.0508989823
  H        14.1000967872       -1.4368933588        7.0102221341
  H        10.7857048155       11.7898584067        4.6486664791
  H        11.5848262418       10.0148282348        3.1199085565
