     648
 i =      20, E =    -4477.5345801279
 Rh         3.6597585514        0.2130643758        4.8530740180
  P         5.4040081405        0.6517961975        6.3033263213
  C         5.2352333372       -0.3232055968        7.8703454526
  C         4.8428341924       -1.7906669438        7.6058844756
  C         4.5203484394       -2.5012359664        8.9299645370
  C         5.6990431629       -2.4261342395        9.9100059650
  C         6.1618535485       -0.9778440206       10.1311318130
  C         6.4506174839       -0.2465655037        8.8067090211
  C         5.6579283246        2.4257035764        6.8140956758
  C         4.6622760137        2.8389153272        7.9185022331
  C         4.7108733001        4.3467626515        8.2086445229
  C         4.4858066180        5.1632241225        6.9337786957
  C         5.5425592999        4.8189022648        5.8818710781
  C         5.5374824428        3.3180821809        5.5571887550
  C         7.0210337422        0.1396281956        5.5235172692
  C         6.9751075275        0.2643575903        3.9899544259
  P         5.3170622432       -0.2540373208        3.3128479628
  C         5.5235194066       -2.0350800882        2.8175947728
  C         4.3869078665       -2.4509150804        1.8605940954
  C         4.3479470871       -3.9638741177        1.6148732338
  C         4.3077410085       -4.7571450459        2.9231313484
  C         5.5302214583       -4.4167124075        3.7792109285
  C         5.5727815079       -2.9125538694        4.0887834848
  C         5.0703733588        0.6768801899        1.7289628364
  C         4.7560536117        2.1660782934        1.9715596824
  C         4.3604829253        2.8450892725        0.6504270517
  C         5.4634533571        2.6924686150       -0.4073376021
  C         5.8260386720        1.2148489187       -0.6246623650
  C         6.1961623558        0.5095707061        0.6944217728
  C         1.9049359905        0.2656752926        3.4935705365
  C         1.8880330057       -0.9435992782        4.1931101567
  C         1.0608623952       -0.7047397459        5.4711325951
  C         1.9630833990        0.2450395213        6.2887731926
  C         1.9824735030        1.4553664813        5.5912867066
  C         1.0912186256        1.2634871856        4.3471659944
  C         0.0146822195        0.3065940945        4.9293336748
  H         4.3786875212        0.1603120309        8.3693640216
  H         5.6716704339       -2.3119628561        7.1036018800
  H         3.9826749646       -1.8349693299        6.9197402047
  H         4.2484425904       -3.5484130210        8.7370603325
  H         3.6333953501       -2.0302541801        9.3787759429
  H         5.4191259125       -2.8826462851       10.8706711319
  H         6.5355046577       -3.0229422559        9.5206211891
  H         7.0651200075       -0.9559186284       10.7589428546
  H         5.3778723263       -0.4298515372       10.6772977401
  H         6.7327910695        0.7954382000        9.0068280049
  H         7.3139416449       -0.7120922291        8.3138486719
  H         6.6805200510        2.5070825951        7.2170576730
  H         4.8717190199        2.2804015461        8.8404590347
  H         3.6397590345        2.5662342345        7.6205548911
  H         5.6882013621        4.6088501509        8.6392993663
  H         3.9573092156        4.5945048781        8.9694661946
  H         4.4992200881        6.2377123878        7.1631690385
  H         3.4841890036        4.9532660128        6.5307676113
  H         6.5337483397        5.1230283388        6.2446043630
  H         5.3626669649        5.3747387157        4.9511567645
  H         6.3497475463        3.0877643550        4.8520401586
  H         4.6001880777        3.0640087470        5.0358742677
  H         7.8493016868        0.7259231730        5.9469685848
  H         7.1896701052       -0.9058621046        5.8180501465
  H         7.7777927965       -0.3198746928        3.5172447740
  H         7.1194788391        1.3105617504        3.6856544479
  H         6.4863475492       -2.1239011490        2.2889993013
  H         4.4947751359       -1.9284630359        0.9000389542
  H         3.4197802870       -2.1308176611        2.2720883380
  H         5.2392189439       -4.2607483145        1.0437805562
  H         3.4784900014       -4.2015723088        0.9882451298
  H         4.2626341602       -5.8334181464        2.7075071324
  H         3.3873628966       -4.5225110462        3.4789500110
  H         5.5208743328       -4.9728684428        4.7280515740
  H         6.4453746899       -4.7167738156        3.2489680441
  H         6.4765078687       -2.6778346380        4.6694245278
  H         4.7144296057       -2.6534501919        4.7292942124
  H         4.1568517551        0.2155639560        1.3172328891
  H         5.6391921209        2.6715182854        2.3901248336
  H         3.9542956346        2.2649706690        2.7196206792
  H         4.1385877585        3.9065923038        0.8279187014
  H         3.4285400032        2.3925609028        0.2791324932
  H         6.3574241639        3.2457967884       -0.0835258584
  H         5.1454309254        3.1483889005       -1.3562769196
  H         6.6635602165        1.1253958971       -1.3323041611
  H         4.9680491300        0.6957566830       -1.0815447938
  H         7.1244667729        0.9419649156        1.0907938726
  H         6.3998688487       -0.5526244972        0.5059023898
  H         2.1455695593        0.4108985941        2.4443474303
  H         2.1304573457       -1.9306139014        3.8095074079
  H         0.7095880213       -1.5998279235        5.9895502538
  H         2.2429692967        0.0829610406        7.3256093622
  H         2.2916287520        2.4261749621        5.9686557575
  H         0.7666292350        2.1777965376        3.8440727022
  H        -0.5848242743        0.7684773074        5.7196055655
  H        -0.6352589220       -0.1242724936        4.1606687996
 Rh        14.7471047187       19.6360093075       14.9332724074
  P        13.0099027359       19.2077107933       13.4696180468
  C        13.1792692576       20.2039134152       11.9135953423
  C        13.5472027779       21.6745654487       12.1931324416
  C        13.8511288351       22.4085780496       10.8766853622
  C        12.6715722933       22.3228055475        9.8983362998
  C        12.2421467658       20.8679438263        9.6575922570
  C        11.9683944238       20.1145277205       10.9721165332
  C        12.7346894350       17.4507785464       12.9115349628
  C        13.7742437074       17.0282769024       11.8521656799
  C        13.6762215434       15.5351509489       11.4990166305
  C        13.7542749458       14.6530467564       12.7486001321
  C        12.6517964792       15.0333417109       13.7414974430
  C        12.7515523166       16.5142083281       14.1395338750
  C        11.3905329756       19.7198780414       14.2477850909
  C        11.4299836260       19.5973972693       15.7815352107
  P        13.0863635555       20.1091960688       16.4663905726
  C        12.8810992737       21.8823807100       16.9914668914
  C        14.0039138183       22.2816641935       17.9723325934
  C        14.0254119651       23.7884231383       18.2592492063
  C        14.0818547167       24.6108881187       16.9693637112
  C        12.8758704828       24.2833204827       16.0845680960
  C        12.8464647318       22.7863935351       15.7386248056
  C        13.3352098785       19.1534660834       18.0341178030
  C        13.6237398095       17.6654132993       17.7575386822
  C        14.0231283201       16.9493330234       19.0571621526
  C        12.9443601671       17.1066583039       20.1396267185
  C        12.6112970103       18.5868110552       20.3882795115
  C        12.2268880733       19.3176668948       19.0874307518
  C        16.4979632811       19.6137961030       16.2973294969
  C        16.4926522514       20.8238826648       15.5980129975
  C        17.3295433015       20.6020351455       14.3230482181
  C        16.4502169848       19.6336990292       13.5022563817
  C        16.4520368170       18.4238138749       14.1995191302
  C        17.3352079953       18.6333481895       15.4465942760
  C        18.3944865374       19.6125147417       14.8694926761
  H        14.0451696549       19.7381910767       11.4139741642
  H        12.7118292302       22.1752582636       12.7053157401
  H        14.4092326690       21.7254853035       12.8762757136
  H        14.1018838393       23.4582908472       11.0831613512
  H        14.7464008583       21.9622981845       10.4190815772
  H        12.9380987393       22.7995582507        8.9433166366
  H        11.8223352599       22.8939474570       10.2988136701
  H        11.3390999810       20.8337803097        9.0301747012
  H        13.0382878099       20.3446409680        9.1049324017
  H        11.7113741723       19.0694075041       10.7568296198
  H        11.0921718933       20.5535783446       11.4671744183
  H        11.7325136958       17.4143237996       12.4537387948
  H        13.6465271985       17.6265844216       10.9403778870
  H        14.7873616118       17.2437438764       12.2208703304
  H        12.7258396364       15.3418382738       10.9818141790
  H        14.4761603095       15.2789838190       10.7894183780
  H        13.6770816680       13.5941884320       12.4636924212
  H        14.7379662562       14.7656615974       13.2281269318
  H        11.6695200394       14.8333108610       13.2919135586
  H        12.7103228269       14.4182433406       14.6500821717
  H        11.9298911984       16.7718971810       14.8241456569
  H        13.6846304636       16.6814109847       14.7016726790
  H        10.5633644486       19.1331101169       13.8226956058
  H        11.2225282902       20.7651475304       13.9517784032
  H        10.6264939247       20.1838498814       16.2500996777
  H        11.2816602403       18.5518894032       16.0863660051
  H        11.9116303762       21.9603884039       17.5098686312
  H        13.8915298308       21.7317743113       18.9167485445
  H        14.9789549364       21.9833810588       17.5630866358
  H        13.1231692014       24.0648629857       18.8236826140
  H        14.8833867799       24.0168388258       18.9050613880
  H        14.1164675976       25.6824344253       17.2088187695
  H        15.0133713795       24.3936238565       16.4252155409
  H        12.8972757075       24.8627884856       15.1500885279
  H        11.9500072531       24.5658477226       16.6058467891
  H        11.9527482504       22.5602354029       15.1390478691
  H        13.7149538947       22.5452109780       15.1050119256
  H        14.2605362850       19.5941383248       18.4419663626
  H        12.7283128387       17.1832617078       17.3378315686
  H        14.4162060714       17.5709767201       16.9983334113
  H        14.2102988219       15.8863890466       18.8487050298
  H        14.9751650349       17.3654226389       19.4207670684
  H        12.0336959373       16.5753226957       19.8258642625
  H        13.2727174468       16.6305398407       21.0748522532
  H        11.7889360342       18.6772398401       21.1134468773
  H        13.4855614862       19.0857956424       20.8368723448
  H        11.2878214144       18.9021979810       18.6990725093
  H        12.0380221939       20.3788703162       19.2957959828
  H        16.2583101472       19.4635711821       17.3461105041
  H        16.2322499441       21.8058306826       15.9828645195
  H        17.6646205637       21.5039706544       13.8056194670
  H        16.1684666749       19.7910174151       12.4652727388
  H        16.1593824628       17.4476189985       13.8230887676
  H        17.6762786723       17.7255547516       15.9504762871
  H        19.0069615780       19.1633663680       14.0818408073
  H        19.0323909995       20.0570299406       15.6411161370
 Rh         5.9020172369       10.0538178421       15.0435898001
  P         4.1013543508        9.6601014836       13.6434046715
  C         3.7353574363        7.8904700311       13.1871720055
  C         3.8539241108        6.9969621287       14.4405101700
  C         3.7940025783        5.4978324738       14.1079758931
  C         4.8284168140        5.1155648826       13.0479272614
  C         4.5939460922        5.9297688419       11.7760722112
  C         4.6791074840        7.4352996031       12.0629338422
  C         2.5267796609       10.2727150201       14.4288358260
  C         2.5900515241       10.1449866356       15.9588154629
  P         4.2838504741       10.5869443255       16.5994320686
  C         4.1420851796       12.3702478484       17.0963663768
  C         4.0962889980       13.2463275274       15.8241414791
  C         4.1529906352       14.7487099099       16.1360180350
  C         5.3798604661       15.0749833939       16.9907526170
  C         5.3454571341       14.2721808625       18.2932553467
  C         5.2992758819       12.7619011086       18.0354976679
  C         4.5038737917        9.6257259977       18.1661137037
  C         4.7301195887        8.1288787509       17.8778184219
  C         5.0316912302        7.3668102237       19.1757180379
  C         3.9175800984        7.5648320597       20.2130566282
  C         3.3830429110        9.8386042072       19.1955252287
  C         3.6754855370        9.0564043013       20.4884933171
  C         4.2965229809       10.6065005807       12.0603967984
  C         4.7590923122       12.0567823350       12.3086952007
  C         5.0936386442       12.7459812127       10.9758333648
  C         3.9047099914       12.7108763831       10.0051482811
  C         3.3806478397       11.2811439840        9.8033478759
  C         3.0671367875       10.5858895946       11.1415704661
  C         7.7226277613       11.1574026747       15.6671625937
  C         7.5355315317        8.7416508239       14.3092967627
  C         8.4406887489        8.9206672565       15.5461038085
  C         9.5512129691        9.8292332893       14.9473655452
  C         8.5376594621       10.8686481535       14.3904847078
  C         7.6664294572        9.9604206923       16.3859550132
  C         7.5951427086        9.9387840119       13.5929318310
  H         2.6985186576        7.8562078774       12.8145530042
  H         4.8110992941        7.2166769261       14.9400009768
  H         3.0650026434        7.2475355497       15.1640895800
  H         2.7897954485        5.2309707532       13.7504517041
  H         3.9595080674        4.9344274611       15.0320734600
  H         5.8422970474        5.3017029191       13.4335460767
  H         4.7840582618        4.0393726503       12.8288812750
  H         5.3224726471        5.6670859211       10.9971670638
  H         3.6008870990        5.6895489760       11.3704874176
  H         4.4479152177        7.9944140203       11.1512043760
  H         5.7167861859        7.6862931089       12.3278216355
  H         2.4145284042       11.3249932248       14.1334853677
  H         1.6619007876        9.7333915031       14.0164456651
  H         1.8277761127       10.7697402047       16.4457147241
  H         2.3996211627        9.1071412623       16.2646510625
  H         3.1895817516       12.4857119963       17.6384621367
  H         4.9493872909       12.9775086316       15.1807350137
  H         3.1881293158       13.0215113087       15.2474555848
  H         4.1660786081       15.3091731114       15.1893608831
  H         3.2405503307       15.0545280797       16.6676536186
  H         5.4317268709       16.1485791814       17.2148631407
  H         6.2963809066       14.8402304712       16.4288625221
  H         6.2192292692       14.5040982906       18.9144971619
  H         4.4584220914       14.5661442893       18.8724063859
  H         6.2568246768       12.4410586006       17.6023236655
  H         5.2044897822       12.2290365240       18.9918107862
  H         5.4401886784       10.0282624620       18.5879035170
  H         5.5488896638        8.0079421744       17.1518154170
  H         3.8325266485        7.7004816364       17.4105720574
  H         5.9863171380        7.7242675545       19.5879946049
  H         5.1702623897        6.2988889457       18.9549732569
  H         4.1706259031        7.0434943649       21.1463840788
  H         2.9894658387        7.1049136650       19.8434127641
  H         3.2655103429       10.9059761095       19.4188815820
  H         2.4275569640        9.4975127353       18.7745254767
  H         4.5667414727        9.4843403924       20.9744587482
  H         2.8390762978        9.1859403051       21.1904535880
  H         5.1208576960       10.0781418773       11.5529452335
  H         5.6296707726       12.0677093944       12.9833906863
  H         3.9608959173       12.6163197427       12.8192469681
  H         5.4090523409       13.7828410004       11.1590116736
  H         5.9570917138       12.2386560833       10.5214663353
  H         4.1939856097       13.1477834289        9.0378078344
  H         3.0963289297       13.3439083656       10.3963918580
  H         2.4767046800       11.2897107199        9.1771708882
  H         4.1391238368       10.6906163209        9.2651456641
  H         2.2398045419       11.1086491570       11.6396678341
  H         2.7239059944        9.5599702297       10.9630226512
  H         7.5194318236       12.1583088084       16.0374285010
  H         7.1843497398        7.7779471666       13.9502548356
  H         8.7338836575        8.0029501133       16.0620530190
  H        10.2198822787       10.2476680430       15.7097191178
  H        10.1334217155        9.3344475730       14.1632405937
  H         8.9209096508       11.7435220801       13.8579531718
  H         7.4288778055        9.8425060632       17.4392310388
  H         7.3068231021       10.0960854181       12.5570258123
 Rh        12.5350064600        9.9502037639        4.6993458286
  P        14.1284190772       10.2529766986        6.2381077386
  C        14.2688724703       12.0186833467        6.8044802875
  C        14.9377603790       12.9721148252        5.7965939020
  C        15.0066410186       14.4016763546        6.3722427272
  C        13.6324781338       14.9208973750        6.8135172834
  C        12.9730726057       13.9573307300        7.8059072868
  C        12.8797176350       12.5579391958        7.1898048191
  C        15.7798173716        9.8009037265        5.4978579357
  C        15.8194460098        9.9850141724        3.9651836792
  P        14.2249346198        9.4391953650        3.1728852492
  C        14.4658084607        7.6494397297        2.7053089639
  C        14.5698923379        6.7820984973        3.9805717973
  C        14.4550490087        5.2737420797        3.7048383961
  C        13.1812383422        4.9556286639        2.9176205467
  C        13.2045832601        5.7065185496        1.5836970386
  C        13.2967463622        7.2226816559        1.7923403281
  C        14.0421336809       10.3356257008        1.5619830090
  C        13.7824492168       11.8412842528        1.7656726690
  C        13.4202090936       12.5113785435        0.4335925301
  C        14.5030854264       12.2805147860       -0.6272192687
  C        15.1511367101       10.0975096580        0.5255838320
  C        14.8012427998       10.7842977163       -0.8064519799
  C        13.9792695901        9.2833572786        7.8202711708
  C        13.6327681525        7.7983826404        7.6022326565
  C        13.3315459096        7.1092457780        8.9435621802
  C        14.5072562148        7.2344974585        9.9190417305
  C        14.9339060924        8.6987497495       10.0936864990
  C        15.2052676397        9.3964666063        8.7463555659
  C        10.8522696702        7.8671451334        5.2684360591
  C        10.2298403548       10.4036839721        4.2471994623
  C         9.2457460228        9.2070929796        4.1021531206
  C         8.7541962991        9.0323080332        5.5507381603
  C        10.1777918315        8.9727393958        6.1546146999
  C        10.0653878853        7.9206680412        3.9299282070
  C        10.7422325664       10.3127346115        5.6801898153
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  F         7.3408984160       10.8263172705       -0.2945740893
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  C         6.8628573786        8.8041870630        1.5667860907
  C         6.3907158420        7.8164746830        2.4290138342
  C         5.5707024869        8.1465039004        3.5203432113
  C         5.1761648220        9.4713550241        3.7904615640
  C         5.7100798381       10.4576327335        2.9313764668
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  C         2.6280664966        7.8397107442        4.6715275868
  C         1.6982732615        6.8696240426        5.0655971831
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  C         1.8680157491        7.6247916707        7.3247457937
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  C         1.5607529568        7.5274424054        8.7946511408
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  F         2.6715912019        7.1588179059        9.5287589814
  F         1.1745913070        8.7332110024        9.3147003051
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  F         0.2614021227        5.0680695458        4.3283418175
  F         0.7219816396        6.7241544205        2.9279624629
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  C         5.7731672051        9.1901921274        7.1011642793
  C         6.6976593843        9.3982687306        8.1224848179
  C         7.1953624100       10.6799578064        8.3888245530
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  C         5.8497289106       11.5005347452        6.5321517147
  C         7.3188405562       13.1254751906        7.7105898560
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  F         6.3624139927       14.0753103051        7.4144784177
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  F         7.2917199330        7.1091758908        7.9951813042
  F         6.2977150658        7.7468723792        9.8242536718
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  C         2.6422868498       11.2775541660        3.5291350333
  C         1.6801756106       12.2606774393        3.2903408352
  C         1.3013316285       13.1646256656        4.2833374170
  C         1.9053000352       13.0395171000        5.5324002706
  C         2.8507225433       12.0374504337        5.7810723285
  C         1.1070566627       12.3768091949        1.9192098686
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  F         1.8930653397       13.1549328202        1.0986191106
  F        -0.1565800717       12.9013033696        1.9055791713
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  F         7.4932872907        5.8847209532        3.2962630592
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  F        11.2159703449        9.0220671044       20.1775554261
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  C        11.4378133742       11.0304607575       18.1793499742
  C        11.8899305263       12.0114973299       17.2977942033
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  C        13.2427718309       10.3791863143       16.0531224098
  C        12.7542152982        9.3976598857       16.9425099172
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  C        15.7713836380       12.0599695916       15.2082963149
  C        16.7086991330       13.0272739151       14.8260644944
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  C        16.5233133572       12.2991916225       12.5468018392
  C        15.5875916622       11.3335561159       12.9430155696
  C        16.8480133462       12.4028237135       11.0772827391
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  F        15.7484369247       12.8160791978       10.3424669000
  F        17.2338405967       11.1881109683       10.5590634336
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  F        18.1498661849       14.8399814010       15.4056213641
  F        17.8384369237       13.2541842959       16.9316825050
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  C        11.4894459342       10.4140726185       11.8448174510
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  C        12.5727714852        8.3466231724       13.3495263238
  C        11.0268442152        6.7013292133       12.2307061260
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  F        11.9225250325        5.6924117161       12.4657479137
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  F        10.6306091663       12.6546146402       11.7346720043
  F        11.7584213592       11.8861522570        9.9851755459
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  C        16.4718286051        6.8266339021       14.2024062620
  C        15.5572818289        7.8665039975       14.0058666489
  C        17.4501715766        7.2085057247       17.7729777734
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  F        16.7844852854        6.2441830388       18.4833117036
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  F        10.4811338891       13.7341786594       16.4315824292
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  C        11.1978702173        1.6278141965        3.5275960856
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  F         8.4076501459        3.3411998362        1.9044528013
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  C        15.3595888919        2.1907015019        7.5248047618
  C        15.8864816067        1.1716668341        8.3143936205
  C        15.4258460820       -0.1310388523        8.0955354953
  C        14.4600448736       -0.3988525240        7.1212792940
  C        16.0264139648       -1.2286192616        8.9215560310
  F        16.0415735194       -0.8755132492       10.2613412359
  F        17.3316654183       -1.4925111594        8.5814533526
  F        15.3728455554       -2.4159044972        8.8043871669
  C        15.9209831595        3.5778075051        7.6383612047
  F        16.4809164727        3.8557167888        8.8574944812
  F        14.9777288200        4.5364373842        7.4068883885
  F        16.8938748472        3.7863969997        6.6789156594
  H        14.0037659074        1.9143270087        3.1323551529
  H        13.8719044239       -2.2352701302        4.2587807033
  H        16.2258201607       -1.0066511410        0.8763605923
  H        11.5059242809        0.9715131736        2.7142427732
  H         9.0101610729        4.1913172947        4.0952780470
  H        11.7340931359        2.2661461585        6.8129696110
  H        11.5451340534       -1.7391727156        3.5434263132
  H         9.1514426648       -3.7131052324        6.5293107713
  H        11.7311938589       -0.4538215577        7.6440527227
  H        14.0054279254        2.7461460178        5.9518922819
  H        16.6399287739        1.3850142613        9.0684812715
  H        14.1395624536       -1.4284213139        6.9751509489
  H        10.7085635928        7.9385235268        3.0433907612
  H        11.9550307227        8.0250899032        5.1151971024
  H        11.0715232482       10.2428788485        3.4472829825
  H        12.9083461141       11.4094869154        4.4500827248
     648
 i =      20, E =    -4477.5341418495
 Rh         3.6595060497        0.2135822502        4.8531307127
  P         5.4036126099        0.6523741899        6.3035129755
  C         5.2349541411       -0.3228809923        7.8704066472
  C         4.8424184368       -1.7902804479        7.6058037423
  C         4.5200175835       -2.5009611620        8.9298476848
  C         5.6988290875       -2.4260715429        9.9097657767
  C         6.1618589347       -0.9778597042       10.1309565297
  C         6.4505089462       -0.2464763112        8.8065696789
  C         5.6573832169        2.4261858027        6.8146634284
  C         4.6612561700        2.8391560765        7.9187208614
  C         4.7098066268        4.3469144247        8.2093101211
  C         4.4854483624        5.1637803198        6.9345826801
  C         5.5426034508        4.8195713111        5.8830369891
  C         5.5373899872        3.3188379602        5.5579203944
  C         7.0207423123        0.1403135330        5.5238236932
  C         6.9749106843        0.2648370600        3.9902580937
  P         5.3169180694       -0.2536159368        3.3130622783
  C         5.5232966835       -2.0346446830        2.8177025499
  C         4.3867822502       -2.4502549626        1.8604673729
  C         4.3474582251       -3.9632283273        1.6147992474
  C         4.3068721350       -4.7564450491        2.9230920313
  C         5.5293245527       -4.4163044397        3.7793411534
  C         5.5722026590       -2.9121468598        4.0888903518
  C         5.0705121679        0.6774886424        1.7292486191
  C         4.7555991693        2.1665325907        1.9720425602
  C         4.3603294747        2.8456509518        0.6508779468
  C         5.4637569205        2.6936308601       -0.4065010283
  C         5.8270877003        1.2161961412       -0.6239204877
  C         6.1968516348        0.5108101829        0.6952049572
  C         1.9045108506        0.2641185890        3.4937883029
  C         1.8884352916       -0.9446045830        4.1943223350
  C         1.0612231405       -0.7052394435        5.4722232334
  C         1.9629477981        0.2457437912        6.2890151839
  C         1.9815481910        1.4555144865        5.5905598272
  C         1.0902625061        1.2621072685        4.3466875646
  C         0.0143689060        0.3050185922        4.9297157225
  H         4.3785317379        0.1605937146        8.3696655900
  H         5.6711581657       -2.3115842187        7.1033715297
  H         3.9821863666       -1.8344210286        6.9197488511
  H         4.2480024102       -3.5480969278        8.7368667130
  H         3.6331513366       -2.0299437915        9.3787928536
  H         5.4189620440       -2.8826135021       10.8704334874
  H         6.5351655760       -3.0229692741        9.5202499717
  H         7.0652257469       -0.9561054796       10.7586333734
  H         5.3780380701       -0.4298088588       10.6772960569
  H         6.7328401865        0.7954743990        9.0067627800
  H         7.3137018272       -0.7120537024        8.3135162910
  H         6.6798104139        2.5075234037        7.2180456848
  H         4.8702411850        2.2803868037        8.8406288101
  H         3.6388652566        2.5666012397        7.6201935034
  H         5.6869444059        4.6087949548        8.6405266224
  H         3.9559054453        4.5944991006        8.9698510576
  H         4.4989541454        6.2381909559        7.1643350265
  H         3.4839683051        4.9541196255        6.5310739603
  H         6.5336884213        5.1233690522        6.2463300687
  H         5.3633274158        5.3757727657        4.9524223055
  H         6.3498123559        3.0885889753        4.8529277785
  H         4.6001917307        3.0650273370        5.0362997485
  H         7.8489262740        0.7267337904        5.9472629988
  H         7.1894671903       -0.9051208042        5.8184952786
  H         7.7776439462       -0.3194253697        3.5176729841
  H         7.1192660208        1.3110080471        3.6858334330
  H         6.4862042628       -2.1235667480        2.2892818337
  H         4.4950470192       -1.9278875116        0.8999093211
  H         3.4196309357       -2.1298684959        2.2716867990
  H         5.2387226894       -4.2603694718        1.0438357982
  H         3.4780235906       -4.2007167980        0.9880584833
  H         4.2615145791       -5.8327188484        2.7075036173
  H         3.3864671352       -4.5215556121        3.4787690811
  H         5.5197086265       -4.9724470987        4.7281811171
  H         6.4444763302       -4.7166114252        3.2492425971
  H         6.4759116811       -2.6776150853        4.6696367056
  H         4.7138479908       -2.6528375314        4.7293075315
  H         4.1573277566        0.2159833547        1.3170120801
  H         5.6383839222        2.6721997127        2.3910842181
  H         3.9534855246        2.2649779129        2.7197895869
  H         4.1379794117        3.9070393444        0.8284756228
  H         3.4286943709        2.3928482043        0.2791567411
  H         6.3573560899        3.2473267743       -0.0822893786
  H         5.1458836991        3.1495268602       -1.3555036707
  H         6.6649972384        1.1272534962       -1.3311671882
  H         4.9695536914        0.6968098140       -1.0813189332
  H         7.1247691581        0.9435233675        1.0921071569
  H         6.4011177992       -0.5512655685        0.5065889391
  H         2.1449055464        0.4086215544        2.4444098516
  H         2.1314298814       -1.9317925659        3.8115071127
  H         0.7105436302       -1.6001197770        5.9913878361
  H         2.2430197575        0.0846976324        7.3259641554
  H         2.2902516154        2.4268064398        5.9670820894
  H         0.7650355196        2.1758012964        3.8428994945
  H        -0.5853574259        0.7671456817        5.7196839848
  H        -0.6354013270       -0.1268823704        4.1614720008
 Rh        14.7470270567       19.6371506697       14.9342757831
  P        13.0095798096       19.2091589516       13.4708005874
  C        13.1788954692       20.2052564374       11.9147236109
  C        13.5468454633       21.6759267770       12.1941780364
  C        13.8507443508       22.4098078387       10.8776413356
  C        12.6711156006       22.3240133514        9.8993824801
  C        12.2416054487       20.8691588871        9.6587227812
  C        11.9679652862       20.1158180030       10.9733115866
  C        12.7340743640       17.4522485653       12.9128230243
  C        13.7736652712       17.0296701389       11.8535434522
  C        13.6758458774       15.5365250670       11.5005904408
  C        13.7537210951       14.6544233573       12.7501695136
  C        12.6509434681       15.0347569698       13.7427116073
  C        12.7506647031       16.5156254315       14.1407899682
  C        11.3903455130       19.7215356102       14.2490589487
  C        11.4297997749       19.5985480558       15.7827567890
  P        13.0863591990       20.1097027299       16.4677004722
  C        12.8811116753       21.8826581750       16.9936220248
  C        14.0040161689       22.2815901241       17.9744925212
  C        14.0250811849       23.7881411160       18.2624901737
  C        14.0808408757       24.6115704157       16.9731931351
  C        12.8748741050       24.2840887359       16.0883284656
  C        12.8461670180       22.7873828966       15.7412970803
  C        13.3349179199       19.1532535792       18.0350583407
  C        13.6229216167       17.6651550635       17.7580938822
  C        14.0217770616       16.9484822516       19.0575858000
  C        12.9430257278       17.1060948581       20.1400198760
  C        12.6105518177       18.5863100258       20.3889771726
  C        12.2265063749       19.3175341170       19.0882547995
  C        16.4978204993       19.6131076784       16.2984362572
  C        16.4933068589       20.8236818570       15.6000032879
  C        17.3302107317       20.6022361852       14.3249627534
  C        16.4503312477       19.6350321614       13.5034113761
  C        16.4513920590       18.4246373081       14.1998066992
  C        17.3345593619       18.6327450105       15.4471090577
  C        18.3945147889       19.6116656986       14.8708038716
  H        14.0447861728       19.7395116413       11.4151015046
  H        12.7114851923       22.1766716128       12.7063440395
  H        14.4088863636       21.7269032521       12.8773124134
  H        14.1015499025       23.4595330286       11.0839849661
  H        14.7459727183       21.9634436853       10.4200230756
  H        12.9375514429       22.8007617832        8.9443306303
  H        11.8219387954       22.8951970855       10.2999212088
  H        11.3384576798       20.8350334526        9.0314384048
  H        13.0376320520       20.3457721500        9.1059674861
  H        11.7109063622       19.0706842844       10.7580893041
  H        11.0917944708       20.5549004568       11.4684339920
  H        11.7319262787       17.4159765350       12.4549439202
  H        13.6459151740       17.6278251947       10.9416546504
  H        14.7867501687       17.2453000407       12.2222137642
  H        12.7256514015       15.3430203270       10.9831439171
  H        14.4759675753       15.2804660452       10.7911889096
  H        13.6766109936       13.5955589797       12.4652174241
  H        14.7372914518       14.7670862957       13.2299357021
  H        11.6688244839       14.8348141614       13.2927482985
  H        12.7090729584       14.4196527678       14.6513069029
  H        11.9288668890       16.7733183398       14.8252323218
  H        13.6836376565       16.6827648143       14.7031096520
  H        10.5630200118       19.1351253737       13.8237769941
  H        11.2226338953       20.7669486766       13.9533852126
  H        10.6265279082       20.1851314310       16.2515295343
  H        11.2811410958       18.5530014985       16.0872711875
  H        11.9117094433       21.9603140663       17.5122070686
  H        13.8920836377       21.7309686977       18.9185369109
  H        14.9790361063       21.9839395355       17.5647411286
  H        13.1230326929       24.0639162361       18.8275330191
  H        14.8832567586       24.0163170746       18.9081359338
  H        14.1149388917       25.6829322915       17.2134893029
  H        15.0123477738       24.3951624217       16.4287102549
  H        12.8958333759       24.8643631236       15.1543244749
  H        11.9489335194       24.5657295795       16.6099593924
  H        11.9525758308       22.5612366929       15.1415349677
  H        13.7148066175       22.5469811627       15.1075853532
  H        14.2603415705       19.5934909924       18.4431527970
  H        12.7273834751       17.1835029034       17.3380593631
  H        14.4154868450       17.5706211030       16.9990153325
  H        14.2083514777       15.8854647445       18.8489390829
  H        14.9740101765       17.3639546639       19.4213758104
  H        12.0321587864       16.5751923785       19.8261318252
  H        13.2711356568       16.6296465569       21.0751552814
  H        11.7882249352       18.6769302915       21.1141534381
  H        13.4850018260       19.0848727991       20.8376770286
  H        11.2873905665       18.9023850688       18.6996746326
  H        12.0378842898       20.3787366257       19.2968021355
  H        16.2579133740       19.4622649669       17.3470664511
  H        16.2333907787       21.8054943673       15.9855329208
  H        17.6658924669       21.5043406870       13.8082047799
  H        16.1687358441       19.7932822661       12.4665196957
  H        16.1583024628       17.4488718283       13.8226262665
  H        17.6749982844       17.7243773035       15.9503813637
  H        19.0068356789       19.1627137476       14.0828942593
  H        19.0326026259       20.0552272317       15.6428275016
 Rh         5.9012660678       10.0529189241       15.0434045932
  P         4.1002658223        9.6595365068       13.6435573839
  C         3.7342029253        7.8900523324       13.1870563974
  C         3.8517403960        6.9965720786       14.4405111714
  C         3.7918280114        5.4974921393       14.1078646322
  C         4.8272618436        5.1151452790       13.0488565340
  C         4.5938966394        5.9291960578       11.7766907004
  C         4.6786267117        7.4347870730       12.0633716198
  C         2.5258630729       10.2721270819       14.4293329948
  C         2.5894995738       10.1446441398       15.9593148673
  P         4.2834609994       10.5865571277       16.5995184002
  C         4.1419163476       12.3698696485       17.0964137905
  C         4.0956749483       13.2460445990       15.8242837400
  C         4.1523609693       14.7483967014       16.1363255430
  C         5.3794715114       15.0746588310       16.9907364677
  C         5.3455603004       14.2716920655       18.2931555527
  C         5.2994499769       12.7614585309       18.0351466245
  C         4.5036899026        9.6255346474       18.1662945567
  C         4.7296641431        8.1286178809       17.8782047071
  C         5.0313423733        7.3667470899       19.1761880952
  C         3.9173640208        7.5650344884       20.2136177865
  C         3.3830618580        9.8387727399       19.1958695511
  C         3.6755067076        9.0566703084       20.4888896889
  C         4.2953072868       10.6061222592       12.0606528146
  C         4.7577160094       12.0564217618       12.3090402544
  C         5.0921972135       12.7457799892       10.9762430572
  C         3.9033278644       12.7105448488       10.0054901583
  C         3.3794546253       11.2807521278        9.8036247834
  C         3.0659466444       10.5854338822       11.1418187705
  C         7.7222547495       11.1565179422       15.6659145414
  C         7.5343622515        8.7402248549       14.3091582994
  C         8.4400178661        8.9196640222       15.5455233286
  C         9.5504171067        9.8278233870       14.9459361932
  C         8.5367622852       10.8671397592       14.3890395676
  C         7.6661955578        9.9598501757       16.3852321901
  C         7.5938347909        9.9370448949       13.5922375021
  H         2.6975816906        7.8559536849       12.8137993161
  H         4.8085876554        7.2161124444       14.9407175871
  H         3.0623081021        7.2472735952       15.1634993150
  H         2.7879512602        5.2308768716       13.7492745558
  H         3.9562213962        4.9339756118       15.0320698840
  H         5.8407743878        5.3013222696       13.4354353816
  H         4.7831310753        4.0389341604       12.8298494771
  H         5.3231472307        5.6664772484       10.9984664162
  H         3.6012230139        5.6887917531       11.3702682579
  H         4.4478015530        7.9937164940       11.1514232163
  H         5.7161234983        7.6860230968       12.3287250594
  H         2.4134349118       11.3243553655       14.1338543421
  H         1.6609231762        9.7326703023       14.0172276822
  H         1.8273874248       10.7695426504       16.4462909910
  H         2.3990591989        9.1068637513       16.2653769654
  H         3.1896056929       12.4853395885       17.6388561083
  H         4.9485943052       12.9773426834       15.1805924484
  H         3.1873516227       13.0212220631       15.2478527634
  H         4.1650926835       15.3090127917       15.1897504314
  H         3.2400545634       15.0540625789       16.6682738834
  H         5.4313470949       16.1482266189       17.2149732395
  H         6.2958317807       14.8400233374       16.4285374521
  H         6.2195007326       14.5036226713       18.9141609301
  H         4.4586728705       14.5654580507       18.8726315131
  H         6.2568423516       12.4407900596       17.6014838137
  H         5.2051171515       12.2283965860       18.9913903931
  H         5.4401493428       10.0279842037       18.5878470025
  H         5.5483172197        8.0074570823       17.1521022121
  H         3.8319414668        7.7002600489       17.4111691326
  H         5.9860402818        7.7241972120       19.5883041070
  H         5.1698016483        6.2987765732       18.9556205621
  H         4.1704499734        7.0437899541       21.1469844025
  H         2.9891501424        7.1051913258       19.8441278794
  H         3.2658255173       10.9061935808       19.4191385870
  H         2.4274316375        9.4978618890       18.7750540735
  H         4.5668358381        9.4845356070       20.9747572685
  H         2.8391518495        9.1864096082       21.1908828632
  H         5.1196778799       10.0778796233       11.5531325039
  H         5.6282977499       12.0673619985       12.9837383616
  H         3.9594571745       12.6158257042       12.8196513138
  H         5.4073833999       13.7826931764       11.1595290157
  H         5.9557778948       12.2386719433       10.5218632499
  H         4.1926019659       13.1475294608        9.0381814547
  H         3.0948374327       13.3434427202       10.3967052083
  H         2.4755579670       11.2892116918        9.1773831295
  H         4.1380416832       10.6903213982        9.2654495541
  H         2.2385596695       11.1080970280       11.6399149733
  H         2.7228059597        9.5594935056       10.9632451447
  H         7.5192720851       12.1576048566       16.0358132716
  H         7.1829035202        7.7764109852       13.9506990005
  H         8.7333144976        8.0021270470       16.0617319962
  H        10.2195053353       10.2464648926       15.7078180114
  H        10.1321895794        9.3326125369       14.1617508268
  H         8.9199084243       11.7417435225       13.8559841579
  H         7.4289913060        9.8423965550       17.4386337118
  H         7.3051769050       10.0939055468       12.5563594910
 Rh        12.5332529033        9.9511682313        4.7119101130
  P        14.1472987877       10.2530910124        6.2310327647
  C        14.2982424439       12.0173816098        6.7956112415
  C        14.9280341731       12.9743948931        5.7662245198
  C        14.9944045529       14.4075047417        6.3331567433
  C        13.6250992796       14.9122304354        6.8049836576
  C        13.0091811618       13.9490898617        7.8253819670
  C        12.9173289559       12.5430958489        7.2245569419
  C        15.7983723342        9.7983648506        5.4883660710
  C        15.8317125736        9.9762381702        3.9555514892
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  F         7.3408363070       10.8262699544       -0.2944315246
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  C         6.8621497684        8.8043126169        1.5675072631
  C         6.3888672471        7.8162238519        2.4287210626
  C         5.5677109436        8.1461312677        3.5192137385
  C         5.1740206052        9.4711692872        3.7898681236
  C         5.7086608014       10.4576221669        2.9313700727
  B         4.2565533912        9.8922430152        5.0944359067
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  C         2.6265109669        7.8401509657        4.6717938610
  C         1.6973885278        6.8695468281        5.0658600020
  C         1.3057644122        6.7358946316        6.3995052849
  C         1.8675699773        7.6244380471        7.3249732885
  C         2.7856786264        8.6010758560        6.9188199660
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  F         2.6715982727        7.1587889330        9.5287869965
  F         1.1746318174        8.7331553431        9.3147435838
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  F         0.2612666445        5.0679442517        4.3283121626
  F         0.7218800594        6.7241157771        2.9279528231
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  C         5.7741392306        9.1897266137        7.0989612211
  C         6.6991163752        9.3977241389        8.1199610875
  C         7.1957857557       10.6796405477        8.3870356122
  C         6.7609643046       11.7319335752        7.5719438339
  C         5.8478613661       11.5008566636        6.5324408098
  C         7.3185988715       13.1254187304        7.7103834075
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  F         6.3623309356       14.0753862067        7.4144257422
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  F         7.2918845945        7.1089133531        7.9950078223
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  C         1.9044092584       13.0395646428        5.5325855208
  C         2.8492242450       12.0371371283        5.7816058960
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  F         7.4932086078        5.8849491841        3.2962028003
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  F        11.2159270403        9.0220440155       20.1778792584
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  C        11.4372724715       11.0305319146       18.1794189969
  C        11.8893745736       12.0114150441       17.2977071676
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  C        12.7530734606        9.3974839076       16.9422439540
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  C        15.7705046468       12.0599552857       15.2081893455
  C        16.7082447946       13.0269987881       14.8261541725
  C        17.0975277746       13.1624835160       13.4866263414
  C        16.5231753914       12.2986479441       12.5468463905
  C        15.5875210533       11.3328478753       12.9429509093
  C        16.8479783777       12.4026948378       11.0773500730
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  F        15.7484539234       12.8160613220       10.3425071166
  F        17.2338239590       11.1880645442       10.5590380615
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  F        18.1498190742       14.8398826014       15.4055990640
  F        17.8383591608       13.2541426092       16.9317201491
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  C        12.4665599273       10.6757523530       12.8135841414
  C        11.4886710722       10.4138160271       11.8444637593
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  C        11.6030916003        8.0789151288       12.3763278340
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  F        11.9225458285        5.6923820767       12.4656924720
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  F        10.6303814096       12.6546311246       11.7348025746
  F        11.7580922952       11.8862798279        9.9859565939
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  C        15.8286337348        8.5419504424       16.2921312595
  C        16.7683428110        7.5207397416       16.4734514239
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  C        16.4709598563        6.8263454393       14.2025956232
  C        15.5566579695        7.8664242886       14.0058451502
  C        17.4496859421        7.2085171386       17.7730744428
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  F        16.7844119785        6.2441036057       18.4834581664
  F        18.7067175968        6.7168448422       17.5330599715
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  F        10.4810688740       13.7342097717       16.4315682374
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  F        17.3764581371        6.5268591580       12.0276589389
  F        15.6561540146        5.2680009815       12.6097798464
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  H        10.7515553846       11.2799364032       18.9845126440
  H        13.0981163209       12.4825473329       15.5865746338
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  H        15.1193458684        7.9924825223       13.0165273119
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  F         3.3564163629       17.0855393946       18.6312786037
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  F         1.9888686615       23.3597638438       16.4295458050
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  C         7.2254205644       18.2550867289       16.2525475790
  C         8.1988904032       17.2819408776       16.5039052506
  C         8.6038910380       16.3915121214       15.5089802958
  C         8.0136874725       16.5120160594       14.2528130840
  C         7.0509039901       17.4964697326       13.9957117786
  C         8.4118584152       15.5867870638       13.1447423398
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  F        10.0086459625       16.5641914305       17.8936114027
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  F         7.3278128367       22.5110681755       10.3394833962
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  F         7.6911365788       24.3596010663       16.5009107121
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  C         3.0489948453       17.7176843788       12.2732530210
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  C         3.9540058780       20.3051296178       12.6792791654
  C         2.3888241384       21.1375051312       10.8786858470
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  F         3.4359931916       15.3730498572       12.3929554666
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  H         4.2767895904       21.3345732461       12.8231634440
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  F        15.0578655894        2.8195895054        1.1700458659
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  C        14.2867313184        0.8742890706        2.9788511474
  C        13.7740861799       -0.1158373531        3.8437626277
  C        14.2106989103       -1.4299453358        3.6074771863
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  C        15.5553551707       -0.7567192134        1.6937800564
  C        15.5241529671       -3.1635058928        2.3808446430
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  F        14.4974143916       -4.0572675017        2.4935462149
  F        16.4261953878       -3.5208831188        3.3694991799
  B        12.8278107190        0.2612835404        5.1282390695
  C        11.7911165704        1.4832028892        4.7981816134
  C        11.1980693311        1.6280258257        3.5276556502
  C        10.2080163713        2.5858386635        3.2793645408
  C         9.7714893201        3.4435184137        4.2920453740
  C        10.3418272225        3.3101413299        5.5592674591
  C        11.3263949528        2.3466662596        5.8061798858
  C         9.8970231233        4.2061254422        6.6770797953
  F        10.9546547060        4.8785736105        7.2547892588
  F         8.9836002976        5.1321838599        6.2391859588
  F         9.3004524341        3.5292578408        7.7039536199
  C         9.6445202148        2.7475783990        1.8975808833
  F         9.5017702145        1.5424678389        1.2472186624
  F         8.4076723312        3.3412038488        1.9044743696
  F        10.4553585625        3.5266813101        1.1005823692
  C        11.8108743787       -0.9599162497        5.5445523059
  C        11.2465325938       -1.8257234441        4.5882995214
  C        10.3049855028       -2.8039222513        4.9334039484
  C         9.8707081442       -2.9473326052        6.2560454474
  C        10.3993512853       -2.0804020027        7.2165020934
  C        11.3464372935       -1.1104794394        6.8645467313
  C         9.9874060206       -2.1865583072        8.6591406153
  F         9.5887183255       -0.9741096568        9.1673489667
  F         8.9644975763       -3.0581800898        8.8712084459
  F        11.0215619211       -2.6067345442        9.4614040043
  C         9.7544316335       -3.6952331705        3.8541155758
  F         8.8197085828       -4.5659680771        4.3271594375
  F        10.7197580658       -4.4521140006        3.2292915563
  F         9.1423155226       -2.9674444574        2.8569858512
  C        13.8920415320        0.6199600808        6.3288818836
  C        14.3833618731        1.9191750097        6.5521084282
  C        15.3595218754        2.1905357944        7.5247650145
  C        15.8864291238        1.1715218410        8.3144029873
  C        15.4257278163       -0.1311815446        8.0956607609
  C        14.4596937657       -0.3991111606        7.1216764660
  C        16.0262841651       -1.2287612285        8.9216405778
  F        16.0415663417       -0.8755475640       10.2613937953
  F        17.3315707541       -1.4925835260        8.5814494677
  F        15.3727422167       -2.4160321137        8.8043907435
  C        15.9209652214        3.5776697133        7.6383241400
  F        16.4809110153        3.8556356693        8.8574537329
  F        14.9777824466        4.5363352231        7.4068734876
  F        16.8938713374        3.7863734493        6.6788884988
  H        14.0042561660        1.9142763303        3.1327355077
  H        13.8704623662       -2.2357161281        4.2573362558
  H        16.2256213014       -1.0066285726        0.8760286509
  H        11.5064370493        0.9719298674        2.7142774556
  H         9.0096743191        4.1908353530        4.0956413521
  H        11.7338567513        2.2660135779        6.8132578400
  H        11.5460685047       -1.7408314511        3.5440314579
  H         9.1482278927       -3.7107892631        6.5292203271
  H        11.7287136254       -0.4521646945        7.6438842917
  H        14.0051507406        2.7457410794        5.9519580570
  H        16.6399794972        1.3848585215        9.0683882914
  H        14.1391917196       -1.4287661986        6.9759975174
  H        10.7750211833        7.8687462639        3.1249795204
  H        11.9266812067        8.0226044596        5.2412304406
  H        11.1042796724       10.1898080230        3.4245172132
  H        12.8478147586       11.4301485621        4.5073636697
     648
 i =      20, E =    -4477.5327774465
 Rh         3.6592504128        0.2140971236        4.8531905578
  P         5.4032360853        0.6529724664        6.3037189552
  C         5.2346699157       -0.3225528487        7.8704656537
  C         4.8419973157       -1.7898843493        7.6057263971
  C         4.5196754389       -2.5006811440        8.9297251398
  C         5.6986093085       -2.4260153339        9.9095227060
  C         6.1618662180       -0.9778795202       10.1307858197
  C         6.4504044027       -0.2463874702        8.8064311027
  C         5.6568265097        2.4266833640        6.8152373811
  C         4.6602128252        2.8393956264        7.9189481919
  C         4.7087057952        4.3470690941        8.2099875799
  C         4.4850534845        5.1643402420        6.9353886895
  C         5.5426190632        4.8202497220        5.8842053340
  C         5.5372734091        3.3196065378        5.5586556828
  C         7.0204511000        0.1410192788        5.5241405084
  C         6.9747149738        0.2653368227        3.9905734384
  P         5.3167987490       -0.2531813896        3.3132783590
  C         5.5230809651       -2.0341959770        2.8178171245
  C         4.3866698646       -2.4495805869        1.8603414040
  C         4.3469777145       -3.9625611244        1.6147243213
  C         4.3060113039       -4.7557301294        2.9230439357
  C         5.5284331356       -4.4158852588        3.7794639296
  C         5.5716384733       -2.9117363372        4.0889932340
  C         5.0706545047        0.6781171397        1.7295461123
  C         4.7551339506        2.1669975465        1.9725340439
  C         4.3601688449        2.8462222830        0.6513421429
  C         5.4640630125        2.6948241387       -0.4056439542
  C         5.8281569046        1.2175827555       -0.6231652706
  C         6.1975618795        0.5120850827        0.6960031288
  C         1.9040758024        0.2625294541        3.4940159091
  C         1.8888392359       -0.9456423939        4.1955727748
  C         1.0615959591       -0.7057523354        5.4733468613
  C         1.9628084728        0.2464616770        6.2892713947
  C         1.9806047098        1.4556618792        5.5898207193
  C         1.0892898940        1.2606882552        4.3462076449
  C         0.0140475904        0.3034046159        4.9301158289
  H         4.3783803595        0.1608813575        8.3699746322
  H         5.6706346603       -2.3112008233        7.1031387656
  H         3.9816902661       -1.8338577183        6.9197538388
  H         4.2475474840       -3.5477741306        8.7366687230
  H         3.6329011335       -2.0296234664        9.3788087692
  H         5.4187900519       -2.8825893145       10.8701881614
  H         6.5348130412       -3.0230039191        9.5198681958
  H         7.0653287379       -0.9563062588       10.7583221239
  H         5.3782092987       -0.4297741020       10.6772953001
  H         6.7328983174        0.7955014022        9.0067007545
  H         7.3134569501       -0.7120200760        8.3131847371
  H         6.6790881275        2.5080029152        7.2190369609
  H         4.8687471508        2.2803778894        8.8408030800
  H         3.6379558574        2.5669603075        7.6198378561
  H         5.6856437541        4.6087490409        8.6417602879
  H         3.9544628475        4.5944871040        8.9702345048
  H         4.4986474153        6.2386656373        7.1655039269
  H         3.4837146660        4.9549619514        6.5313883721
  H         6.5335920024        5.1237200890        6.2480473143
  H         5.3639537629        5.3768145597        4.9536984447
  H         6.3498581560        3.0894356086        4.8538258141
  H         4.6001723270        3.0660437971        5.0367302127
  H         7.8485531791        0.7275716415        5.9475622312
  H         7.1892742782       -0.9043618066        5.8189491561
  H         7.7775083499       -0.3189489758        3.5181087003
  H         7.1190534970        1.3114792213        3.6860241976
  H         6.4860742494       -2.1232237170        2.2895633331
  H         4.4953326604       -1.9272909709        0.8997798657
  H         3.4194897370       -2.1288977736        2.2712879111
  H         5.2382368018       -4.2599723040        1.0438854408
  H         3.4775618251       -4.1998377165        0.9878611641
  H         4.2604119125       -5.8320085967        2.7074823087
  H         3.3855742213       -4.5205922705        3.4785803891
  H         5.5185472350       -4.9720266870        4.7283046457
  H         6.4435868172       -4.7164459724        3.2495069137
  H         6.4753334006       -2.6773929986        4.6698450054
  H         4.7132813858       -2.6522141731        4.7293277512
  H         4.1578122366        0.2164061659        1.3167860470
  H         5.6375514591        2.6729000220        2.3920629074
  H         3.9526573069        2.2649800709        2.7199630680
  H         4.1373567014        3.9074926325        0.8290494416
  H         3.4288495029        2.3931378455        0.2791826118
  H         6.3572771957        3.2488944445       -0.0810193467
  H         5.1463436611        3.1506932049       -1.3547092295
  H         6.6664660089        1.1291614284       -1.3300067167
  H         4.9710901418        0.6978875528       -1.0810902971
  H         7.1250785090        0.9451334754        1.0934496908
  H         6.4024041923       -0.5498724489        0.5072903721
  H         2.1442312082        0.4062816061        2.4444799267
  H         2.1324181004       -1.9330075938        3.8135593286
  H         0.7115101751       -1.6004191032        5.9932729322
  H         2.2430739370        0.0864619470        7.3263239719
  H         2.2888574003        2.4274327612        5.9654754654
  H         0.7634230388        2.1737547387        3.8417047920
  H        -0.5858953550        0.7657897902        5.7197711150
  H        -0.6355460671       -0.1295485701        4.1622970698
 Rh        14.7469419383       19.6382343379       14.9352829098
  P        13.0092535593       19.2105752534       13.4719833045
  C        13.1785197095       20.2065915524       11.9158584836
  C        13.5465033742       21.6772734250       12.1952486225
  C        13.8503696367       22.4110468364       10.8786271522
  C        12.6706541188       22.3252630158        9.9004670049
  C        12.2410485498       20.8704210445        9.6598628660
  C        11.9675249783       20.1171209189       10.9745102974
  C        12.7334522540       17.4536858771       12.9140863621
  C        13.7730777432       17.0310470465       11.8548891993
  C        13.6754851201       15.5378831631       11.5021331193
  C        13.7531775098       14.6557782687       12.7516968362
  C        12.6500893123       15.0361240442       13.7438736779
  C        12.7497564902       16.5169899941       14.1420060200
  C        11.3901525957       19.7231352032       14.2503479963
  C        11.4296230252       19.5996299494       15.7839914414
  P        13.0863634989       20.1101341961       16.4690217747
  C        12.8811068819       21.8828553994       16.9958010398
  C        14.0041045971       22.2814797232       17.9766610512
  C        14.0247121662       23.7878294367       18.2657167837
  C        14.0797644195       24.6121899664       16.9769833878
  C        12.8737790152       24.2847660674       16.0921093399
  C        12.8457780151       22.7882879174       15.7439962545
  C        13.3346084108       19.1529793584       18.0360273834
  C        13.6220481172       17.6648308690       17.7586862738
  C        14.0203413535       16.9475537924       19.0580425470
  C        12.9416211040       17.1055021066       20.1404560313
  C        12.6097761594       18.5857921229       20.3897030740
  C        12.2261112247       19.3173795049       19.0891042654
  C        16.4976751877       19.6123136797       16.2995393726
  C        16.4939681079       20.8233972723       15.6020198604
  C        17.3308789760       20.6023847429       14.3268994492
  C        16.4504476069       19.6363357918       13.5045695980
  C        16.4507407597       18.4254197476       14.2000631433
  C        17.3339147447       18.6320596182       15.4475938011
  C        18.3945454507       19.6107523065       14.8721118933
  H        14.0443914287       19.7408260376       11.4162240389
  H        12.7111750529       22.1780714318       12.7074156315
  H        14.4085646064       21.7282819867       12.8783577977
  H        14.1012340552       23.4607731314       11.0848571361
  H        14.7455418505       21.9645984698       10.4209816914
  H        12.9369774459       22.8020224735        8.9453990682
  H        11.8215480427       22.8964706759       10.3010849913
  H        11.3377960387       20.8363630306        9.0327278338
  H        13.0369495520       20.3469522120        9.1069988638
  H        11.7104352707       19.0719793332       10.7593296631
  H        11.0914093476       20.5562194330       11.4697040132
  H        11.7313349558       17.4176056796       12.4561186111
  H        13.6452691063       17.6290453508       10.9428980286
  H        14.7861361379       17.2468594630       12.2235056458
  H        12.7254929060       15.3441790746       10.9844203262
  H        14.4758046819       15.2819466889       10.7929410268
  H        13.6761751038       13.5969043306       12.4666998845
  H        14.7366190484       14.7685113150       13.2317188650
  H        11.6681313853       14.8362457882       13.2935345522
  H        12.7078375580       14.4210151203       14.6524832775
  H        11.9278117208       16.7746746751       14.8262721265
  H        13.6826192936       16.6840585122       14.7045285989
  H        10.5626780571       19.1370746710       13.8248776160
  H        11.2227207373       20.7686858800       13.9550149811
  H        10.6265703320       20.1863388764       16.2529844484
  H        11.2806296609       18.5540410310       16.0881875930
  H        11.9117789557       21.9601261596       17.5145955174
  H        13.8926406783       21.7301323675       18.9203414363
  H        14.9791078139       21.9844765417       17.5664025233
  H        13.1228456852       24.0629290078       18.8313561555
  H        14.8830889972       24.0157868562       18.9111943669
  H        14.1133589957       25.6833813860       17.2180802116
  H        15.0112476152       24.3966130547       16.4321484719
  H        12.8942207545       24.8658433062       15.1585813173
  H        11.9477873846       24.5655025204       16.6141456412
  H        11.9522816203       22.5621393849       15.1441006386
  H        13.7145334255       22.5486787638       15.1101375901
  H        14.2601471912       19.5927631370       18.4443655574
  H        12.7263883892       17.1837007674       17.3383140863
  H        14.4147198177       17.5701733116       16.9997356491
  H        14.2062673559       15.8844501232       18.8492061394
  H        14.9727965873       17.3623605632       19.4220153885
  H        12.0305253439       16.5750500820       19.8264601924
  H        13.2694798848       16.6287265819       21.0755139004
  H        11.7874864783       18.6766289894       21.1148926937
  H        13.4844264316       19.0839155291       20.8385089255
  H        11.2869352049       18.9025741631       18.7003039824
  H        12.0377622916       20.3785872375       19.2978291576
  H        16.2575139366       19.4608197709       17.3480228752
  H        16.2345328791       21.8050584632       15.9882592324
  H        17.6671690053       21.5046655957       13.8108392935
  H        16.1690010518       19.7955464036       12.4677779946
  H        16.1572066231       17.4500885500       13.8221104690
  H        17.6737182411       17.7231002003       15.9502381677
  H        19.0067096254       19.1620112535       14.0839369304
  H        19.0328146569       20.0533314229       15.6445527652
 Rh         5.9005194209       10.0519922524       15.0432280883
  P         4.0991827679        9.6589685209       13.6437128605
  C         3.7330198442        7.8896404875       13.1869277532
  C         3.8494964306        6.9961898641       14.4405104427
  C         3.7896007487        5.4971473213       14.1077499166
  C         4.8260937960        5.1147226786       13.0498196852
  C         4.5938653012        5.9286118097       11.7773275087
  C         4.6781544086        7.4342762788       12.0638249197
  C         2.5249374950       10.2715546073       14.4298294021
  C         2.5889432388       10.1443090199       15.9598203911
  P         4.2830839422       10.5861632911       16.5996010081
  C         4.1417534545       12.3694853831       17.0964819943
  C         4.0950654908       13.2457563658       15.8244449492
  C         4.1517263348       14.7480851598       16.1366711709
  C         5.3790846668       15.0743282611       16.9907480249
  C         5.3456759348       14.2711847780       18.2930755677
  C         5.2996411536       12.7609988863       18.0348008296
  C         4.5034835176        9.6253282662       18.1664791508
  C         4.7291738477        8.1283340686       17.8785878594
  C         5.0309436442        7.3666638118       19.1766685112
  C         3.9170948961        7.5652240812       20.2141737365
  C         3.3830712618        9.8389370056       19.1962087120
  C         3.6754976992        9.0569253397       20.4892746518
  C         4.2940888850       10.6057459288       12.0609168063
  C         4.7563400906       12.0560675975       12.3094283282
  C         5.0907641347       12.7456035355       10.9766891891
  C         3.9019546725       12.7102448227       10.0058629230
  C         3.3782735657       11.2803852775        9.8039194126
  C         3.0647585325       10.5849916105       11.1420804719
  C         7.7218757914       11.1556108359       15.6646503306
  C         7.5331832318        8.7387734319       14.3090223514
  C         8.4393597023        8.9186407736       15.5449450501
  C         9.5496190924        9.8263860709       14.9444938747
  C         8.5358605277       10.8655964069       14.3875809095
  C         7.6659638457        9.9592596567       16.3845072206
  C         7.5925123849        9.9352626113       13.5915416629
  H         2.6966400266        7.8557168832       12.8130114652
  H         4.8059951820        7.2155479441       14.9414520138
  H         3.0595316459        7.2470213870       15.1628769024
  H         2.7860719565        5.2307812241       13.7480590509
  H         3.9528511884        4.9335312920       15.0320682421
  H         5.8392169122        5.3009524773       13.4373903619
  H         4.7822043177        4.0384980287       12.8308621831
  H         5.3238579869        5.6658608023       10.9998156949
  H         3.6015938297        5.6880176925       11.3700478625
  H         4.4477228952        7.9930030889       11.1516536692
  H         5.7154553705        7.6857445894       12.3296675062
  H         2.4123487278       11.3237280509       14.1342330539
  H         1.6599391140        9.7319748666       14.0180164481
  H         1.8270036222       10.7693522928       16.4468749272
  H         2.3984955789        9.1065960756       16.2660952533
  H         3.1896422507       12.4849506049       17.6392718705
  H         4.9478031156       12.9771904605       15.1804751429
  H         3.1865754302       13.0209327736       15.2482747599
  H         4.1640885692       15.3088588638       15.1901841993
  H         3.2395541133       15.0535890678       16.6689465049
  H         5.4309733180       16.1478687873       17.2151215012
  H         6.2952796436       14.8398118695       16.4282305268
  H         6.2197899750       14.5031245185       18.9138459866
  H         4.4589343181       14.5647500398       18.8728899819
  H         6.2568764866       12.4405158888       17.6006359950
  H         5.2057811914       12.2277287262       18.9909765970
  H         5.4400960926       10.0276732952       18.5877939872
  H         5.5477099437        8.0069414804       17.1523929151
  H         3.8313165637        7.7000296531       17.4117622690
  H         5.9857083304        7.7241047468       19.5886361506
  H         5.1692905658        6.2986474506       18.9562787361
  H         4.1702170784        7.0440699421       21.1475783123
  H         2.9887782274        7.1054652862       19.8448310392
  H         3.2661465408       10.9064148545       19.4193921130
  H         2.4272867835        9.4982296172       18.7755683263
  H         4.5669064480        9.4847002080       20.9750577189
  H         2.8392029138        9.1868845608       21.1913127994
  H         5.1184873896       10.0776341282       11.5533395203
  H         5.6269157024       12.0670162256       12.9841175041
  H         3.9580163306       12.6153377414       12.8200883330
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 Rh        12.5336263020        9.9542560950        4.7234930665
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  H        15.2876615403        9.0210065248        0.3589613339
  H        16.0904026434       10.4893456110        0.9025508806
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  H        13.1325332027        9.7456044307        8.2767363694
  H        12.8403110599        7.6783839660        6.8926166456
  H        14.5452005875        7.2889859516        7.1050006734
  H        13.1095866605        6.0474877782        8.7314823525
  H        12.4408014811        7.5634301634        9.3228743772
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  H        15.3633974031        6.6513352298        9.5501284064
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  H        14.1175120644        9.2489943846       10.6030504987
  H        16.0963847032        8.9442384439        8.2766799893
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  H        10.6823221520        6.9366872638        5.9939781115
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  H         8.0938608638        8.1753127774        5.6275973696
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  H         9.4684909409        6.9593551638        3.9355508225
  H        10.4965618600       11.2659831615        6.1727949745
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  F         7.3407766339       10.8262293626       -0.2942436020
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  C         6.8618919770        8.8044969699        1.5686599640
  C         6.3871035350        7.8159814273        2.4286086944
  C         5.5645842909        8.1457623840        3.5180732124
  C         5.1716209163        9.4709722242        3.7891490829
  C         5.7070608663       10.4576013253        2.9313158108
  B         4.2549989543        9.8922132474        5.0943751607
  C         3.2166062398        8.7224058284        5.5834136130
  C         2.6249705110        7.8405801611        4.6720606555
  C         1.6964995045        6.8694535827        5.0661518415
  C         1.3051612989        6.7355215298        6.3998745157
  C         1.8671162104        7.6241021894        7.3252077283
  C         2.7851521416        8.6007853298        6.9191626731
  C         1.5606054995        7.5270757499        8.7949907365
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  F         2.6715962832        7.1587636900        9.5288148979
  F         1.1746645162        8.7330998799        9.3147843468
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  F         0.2611424163        5.0678293500        4.3282844040
  F         0.7218057925        6.7240973363        2.9279264308
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  C         5.7753892385        9.1892335499        7.0964460638
  C         6.7005443116        9.3971829608        8.1173381820
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  C         5.8459504613       11.5012050115        6.5327049287
  C         7.3183309121       13.1253595334        7.7101872792
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  F         6.3622405744       14.0754773676        7.4143685613
  F         8.3396948331       13.3443295454        6.8140863914
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  F         7.2920517773        7.1086614173        7.9948314121
  F         6.2979238053        7.7474225356        9.8236267130
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  C         2.6394537879       11.2773926062        3.5301885916
  C         1.6784145611       12.2611909864        3.2907769544
  C         1.2997980297       13.1654646311        4.2836391771
  C         1.9034788257       13.0396154125        5.5327815366
  C         2.8477169514       12.0368307759        5.7821243219
  C         1.1066426212       12.3770286954        1.9191507725
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  F         1.8930232436       13.1549158980        1.0987106037
  F        -0.1568554394       12.9014100588        1.9054076700
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  F         7.4932448023        5.8851987750        3.2961755590
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  F         2.7483774441       14.5674849797        7.1180152200
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  H         5.2217893159        7.3439706360        4.1711385159
  H         5.4745659537       11.5056470186        3.1150694654
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  H         7.9147305256       10.8511127564        9.1795916618
  H         5.5442678174       12.3403081702        5.9081211673
  H         2.9062127048       10.5975840924        2.7229691355
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  H         3.2760446768       11.9664062048        6.7811542944
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  F        11.2159105409        9.0220373265       20.1781138492
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  C        11.4368086442       11.0306255646       18.1794221510
  C        11.8888160434       12.0113665780       17.2975061514
  C        12.7706467185       11.6882482298       16.2564509589
  C        13.2402650868       10.3786068379       16.0519950987
  C        12.7518875089        9.3973616796       16.9417879501
  B        14.1610382896        9.9864299943       14.7516151101
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  C        15.7694876641       12.0600777065       15.2080260800
  C        16.7077396526       13.0267994541       14.8261819628
  C        17.0972402389       13.1619053764       13.4866730272
  C        16.5229183070       12.2981212353       12.5468551319
  C        15.5872901569       11.3321855380       12.9428616623
  C        16.8479008433       12.4025549583       11.0774070625
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  F        15.7484919074       12.8160227869       10.3425403535
  F        17.2338535429       11.1880192721       10.5590162327
  C        17.2397666545       13.9434506366       15.8936106328
  F        16.2466217754       14.6719592438       16.4967575016
  F        18.1497271985       14.8397805458       15.4055846587
  F        17.8383007836       13.2540995246       16.9317267946
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  C        12.4654908364       10.6754804185       12.8137513369
  C        11.4881240403       10.4134987050       11.8442269968
  C        11.0599325669        9.1069117142       11.6020154483
  C        11.6033408268        8.0786325653       12.3750400378
  C        12.5730967160        8.3461424158       13.3467836336
  C        11.0269084002        6.7011168112       12.2297854208
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  F        11.9225476639        5.6923175449       12.4656571625
  F        10.0070112985        6.4983805667       13.1305369332
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  F         9.7380835648       11.1769577514       10.4092197647
  F        10.6301772060       12.6546296627       11.7349501810
  F        11.7577102794       11.8864102380        9.9867379526
  C        15.1841589980        8.7365338036       15.0465068439
  C        15.8271207180        8.5413824733       16.2926295783
  C        16.7671247068        7.5203834054       16.4738953815
  C        17.0819524349        6.6437743408       15.4334311161
  C        16.4702515530        6.8260681121       14.2028521577
  C        15.5562745965        7.8664094118       14.0059694277
  C        17.4492913647        7.2084580884       17.7731932490
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  F        16.7843599239        6.2439969854       18.4836146588
  F        18.7064060833        6.7168876042       17.5329417924
  C        11.3928041429       13.4241150696       17.4285166731
  F        10.7866322636       13.6671636912       18.6248931058
  F        10.4810198729       13.7342578709       16.4315407118
  F        12.4022649973       14.3401839632       17.3052447203
  F        17.6309456212        4.8724522161       13.4866601516
  F        17.3764069848        6.5268745367       12.0277718212
  F        15.6561051318        5.2679740215       12.6097251321
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  H        10.7511677010       11.2801591539       18.9845417045
  H        13.0967199787       12.4822854609       15.5857707171
  H        13.0527448362        8.3591688724       16.8104231519
  H        15.4929877303       11.9910690725       16.2590519031
  H        17.8084894868       13.9249040075       13.1844651641
  H        15.1649306607       10.6781000114       12.1810700083
  H        12.7697904469       11.7083732405       12.9803532246
  H        10.3027593100        8.8964779548       10.8533180797
  H        12.9581449398        7.5164264617       13.9374957521
  H        15.5936796551        9.1997417135       17.1289838622
  H        17.7883460416        5.8367608468       15.5847289246
  H        15.1196644052        7.9930679903       13.0164185312
  F         2.7259327256       18.6315217777       20.0896806221
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  F         3.3564695070       17.0853930874       18.6313136219
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  C         4.1316680750       19.0154755272       16.8220455759
  C         4.6537592385       20.0047028280       15.9628031580
  C         4.2306778508       21.3212659225       16.2102906861
  C         3.3702481782       21.6404216272       17.2692214487
  C         2.8823754310       20.6536152904       18.1204830150
  C         2.8981172989       23.0527933365       17.4262427518
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  F         3.9127042025       23.9631139235       17.3075579108
  F         1.9889675812       23.3596700924       16.4296124624
  B         5.5898323158       19.6253173344       14.6691777193
  C         6.6166352878       18.3905351871       14.9896038516
  C         7.2258364186       18.2553887434       16.2522414985
  C         8.1988231790       17.2818567185       16.5039171411
  C         8.6034059123       16.3909749787       15.5092241684
  C         8.0137549262       16.5118537218       14.2528397039
  C         7.0515090637       17.4967128806       13.9954063133
  C         8.4118859540       15.5867002576       13.1447476547
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  F         9.2152583259       14.5630622429       13.5674413653
  F         9.1134650408       16.2369117040       12.1640038763
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  F         8.9096582955       18.3690907470       18.4852507717
  F        10.0086273241       16.5641920774       17.8936086345
  F         7.9610221385       16.3836100598       18.6995556233
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  C         7.1864651798       21.6986194035       15.2075565827
  C         8.1206467678       22.6795960621       14.8537955023
  C         8.5311683536       22.8373195452       13.5281273792
  C         7.9871380823       21.9823164908       12.5703573135
  C         7.0498371678       21.0054541473       12.9257792046
  C         8.3840571415       22.1132035075       11.1303768046
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  F         9.3748945332       23.0299380230       10.9263419395
  F         7.3278130619       22.5110946133       10.3394609227
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  F         9.5902749912       24.4646764327       15.4075255194
  F         7.6911530405       24.3595820193       16.5008920846
  F         9.2711206968       22.8833099461       16.9356760311
  C         4.5182249826       19.2835847557       13.4717347827
  C         4.0225071878       17.9871677431       13.2474663239
  C         3.0491808931       17.7177180909       12.2730928456
  C         2.5249898530       18.7377317746       11.4835693058
  C         2.9878141999       20.0393835031       11.7045414485
  C         3.9539403505       20.3052804339       12.6793586482
  C         2.3887712526       21.1375378772       10.8787335952
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  F         1.0829052996       21.4011291990       11.2184290496
  F         3.0421303951       22.3244571832       10.9958001176
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  F         1.9329756040       16.0521373901       10.9407261433
  F         3.4360047565       15.3730443785       12.3929552714
  F         1.5199390310       16.1218372966       13.1202589645
  H         4.4010011837       17.9732146456       16.6610774526
  H         4.5757727950       22.1239775278       15.5605281180
  H         2.2140390386       20.9038431460       18.9396501215
  H         6.9414954584       18.9298482543       17.0588594577
  H         9.3460104303       15.6255628932       15.7111303989
  H         6.6345373934       17.5632091371       12.9914126135
  H         6.9024975749       21.6055654323       16.2553590165
  H         9.2444780203       23.6059755851       13.2500822885
  H         6.6549249205       20.3560034428       12.1455658544
  H         4.3968541000       17.1594214901       13.8476696470
  H         1.7725738610       18.5265304825       10.7279433861
  H         4.2763395384       21.3348143989       12.8234497639
  F        15.6885511405        1.2761190908       -0.2889942287
  C        15.7259326687        1.6365190820        1.0439647815
  F        17.0557623117        1.8967433490        1.3192184167
  F        15.0578631549        2.8196024589        1.1700435654
  C        15.1571872199        0.5634182882        1.9269625686
  C        14.2867989254        0.8741735005        2.9789180621
  C        13.7736900390       -0.1160341992        3.8435178203
  C        14.2098780833       -1.4301725732        3.6066589478
  C        15.0743533671       -1.7449381604        2.5502901622
  C        15.5551707062       -0.7567623566        1.6934571383
  C        15.5240498769       -3.1635045413        2.3805817084
  F        16.1181433054       -3.3849801110        1.1751254271
  F        14.4974109695       -4.0573026510        2.4935032153
  F        16.4262054528       -3.5207926803        3.3693318932
  B        12.8275729541        0.2611331816        5.1282241932
  C        11.7911881115        1.4832678294        4.7982569924
  C        11.1982936227        1.6282608057        3.5276852560
  C        10.2079930067        2.5858263627        3.2794334012
  C         9.7712625008        3.4432327612        4.2922170205
  C        10.3417212861        3.3098793592        5.5593539071
  C        11.3263336960        2.3465403214        5.8063388639
  C         9.8969911871        4.2057466671        6.6770992165
  F        10.9546260549        4.8781896137        7.2549097609
  F         8.9833426336        5.1317309342        6.2392186453
  F         9.3003987867        3.5291195869        7.7040427891
  C         9.6444948836        2.7475823531        1.8976509246
  F         9.5017744973        1.5424693318        1.2472285582
  F         8.4076745716        3.3412014221        1.9044815496
  F        10.4553425527        3.5266585106        1.1005945114
  C        11.8101383086       -0.9596420021        5.5446516189
  C        11.2464347610       -1.8262210717        4.5886991128
  C        10.3039555010       -2.8035523491        4.9335537416
  C         9.8687113616       -2.9461205055        6.2559718666
  C        10.3980713400       -2.0796222835        7.2164110463
  C        11.3448587153       -1.1094321562        6.8644502620
  C         9.9870439455       -2.1864049139        8.6591588037
  F         9.5886524366       -0.9740092951        9.1674742127
  F         8.9643929418       -3.0581895029        8.8712774097
  F        11.0214659952       -2.6067142267        9.4612352909
  C         9.7540740540       -3.6951653895        3.8541987357
  F         8.8196297718       -4.5660002931        4.3271438282
  F        10.7197132915       -4.4520093339        3.2293997704
  F         9.1422590065       -2.9674374531        2.8569084779
  C        13.8918224270        0.6195976448        6.3290118571
  C        14.3832002750        1.9188523157        6.5521632877
  C        15.3594560418        2.1903501200        7.5247190646
  C        15.8864022847        1.1713725939        8.3143568021
  C        15.4255755158       -0.1313065211        8.0957971775
  C        14.4593602583       -0.3993811635        7.1220183936
  C        16.0261948108       -1.2288623635        8.9217016716
  F        16.0415559321       -0.8755832686       10.2614130719
  F        17.3315315604       -1.4925917781        8.5814521378
  F        15.3726889763       -2.4161348321        8.8043605768
  C        15.9209256892        3.5775230202        7.6382792578
  F        16.4808978715        3.8555857943        8.8573877113
  F        14.9778355706        4.5362151811        7.4068216064
  F        16.8938739288        3.7863468533        6.6788685569
  H        14.0047362464        1.9142175106        3.1331274353
  H        13.8689639612       -2.2361732999        4.2558483664
  H        16.2253844716       -1.0066333516        0.8756413563
  H        11.5069710804        0.9723678811        2.7142661427
  H         9.0092990157        4.1904058963        4.0959903434
  H        11.7336349602        2.2658761348        6.8134961328
  H        11.5471114160       -1.7425786351        3.5446744885
  H         9.1449609279       -3.7083797362        6.5291343232
  H        11.7261481685       -0.4504122394        7.6437011903
  H        14.0047970744        2.7453382625        5.9520344875
  H        16.6400506343        1.3847336637        9.0682393194
  H        14.1388559194       -1.4291361778        6.9768106413
  H        10.8452970564        7.7982284514        3.2197360110
  H        11.8878883501        8.0240463467        5.3771564399
  H        11.1383439584       10.1353343988        3.4005958169
  H        12.7763939372       11.4531969297        4.5819391155
     648
 i =      20, E =    -4477.5306097078
 Rh         3.6589919322        0.2146035901        4.8532509390
  P         5.4028712526        0.6535703276        6.3039213208
  C         5.2343924213       -0.3222290519        7.8705262611
  C         4.8415810107       -1.7894951773        7.6056491409
  C         4.5193436434       -2.5004064151        8.9296082572
  C         5.6983948231       -2.4259584622        9.9092844911
  C         6.1618729416       -0.9779011938       10.1306129515
  C         6.4502956368       -0.2462994768        8.8062968486
  C         5.6562852265        2.4271781666        6.8158036865
  C         4.6591931390        2.8396355749        7.9191699372
  C         4.7076262886        4.3472206228        8.2106494636
  C         4.4846736151        5.1648866149        6.9361836296
  C         5.5426399640        4.8209169053        5.8853587278
  C         5.5371615926        3.3203645038        5.5593785585
  C         7.0201686137        0.1417146188        5.5244522104
  C         6.9745258840        0.2658297809        3.9908872913
  P         5.3166784680       -0.2527525992        3.3134940455
  C         5.5228733526       -2.0337517407        2.8179325679
  C         4.3865612358       -2.4489122806        1.8602211180
  C         4.3465081475       -3.9619053490        1.6146481705
  C         4.3051679130       -4.7550285420        2.9229961118
  C         5.5275620119       -4.4154731505        3.7795845970
  C         5.5710842351       -2.9113294307        4.0890960354
  C         5.0707931787        0.6787287180        1.7298369846
  C         4.7546771791        2.1674513219        1.9730193142
  C         4.3600114395        2.8467837943        0.6517965891
  C         5.4643659030        2.6959955641       -0.4048007878
  C         5.8292064071        1.2189409816       -0.6224196774
  C         6.1982535283        0.5133366158        0.6967913185
  C         1.9036674084        0.2609663460        3.4942394094
  C         1.8892571679       -0.9466628475        4.1968020728
  C         1.0619707066       -0.7062544496        5.4744488587
  C         1.9626829712        0.2471579409        6.2895204420
  C         1.9796944616        1.4558015535        5.5890911933
  C         1.0883415836        1.2592905448        4.3457399875
  C         0.0137390923        0.3018150257        4.9305108193
  H         4.3782295978        0.1611632605        8.3702774044
  H         5.6701166452       -2.3108194986        7.1029127892
  H         3.9812050437       -1.8333044490        6.9197630352
  H         4.2471008704       -3.5474555432        8.7364769070
  H         3.6326586677       -2.0293095186        9.3788258796
  H         5.4186242341       -2.8825670507       10.8699442342
  H         6.5344650490       -3.0230351548        9.5194942141
  H         7.0654288087       -0.9564988573       10.7580142451
  H         5.3783776601       -0.4297430383       10.6772954084
  H         6.7329562693        0.7955289327        9.0066349128
  H         7.3132106492       -0.7119819607        8.3128594545
  H         6.6783833309        2.5084846090        7.2200014413
  H         4.8672801431        2.2803699111        8.8409724125
  H         3.6370653113        2.5673147927        7.6194869011
  H         5.6843675222        4.6087048521        8.6429700170
  H         3.9530441304        4.5944741406        8.9706103699
  H         4.4983532485        6.2391343019        7.1666521096
  H         3.4834691231        4.9557823726        6.5316987090
  H         6.5335117777        5.1240630938        6.2497246330
  H         5.3645809778        5.3778456996        4.9549524293
  H         6.3499103953        3.0902780262        4.8547142188
  H         4.6001562301        3.0670447797        5.0371543859
  H         7.8481770585        0.7284029816        5.9478528279
  H         7.1890862374       -0.9036058951        5.8193964514
  H         7.7773658284       -0.3184774250        3.5185368550
  H         7.1188464473        1.3119392404        3.6862186596
  H         6.4859413448       -2.1228771641        2.2898460650
  H         4.4956127568       -1.9267027546        0.8996545470
  H         3.4193543337       -2.1279454014        2.2708993742
  H         5.2377603593       -4.2595831932        1.0439354824
  H         3.4771111346       -4.1989667398        0.9876656466
  H         4.2593347481       -5.8313105444        2.7074590935
  H         3.3847006437       -4.5196399332        3.4783929614
  H         5.5174053507       -4.9716110125        4.7284206844
  H         6.4427113842       -4.7162861571        3.2497695381
  H         6.4747610862       -2.6771749985        4.6700466086
  H         4.7127294370       -2.6516034078        4.7293428625
  H         4.1582846233        0.2168227308        1.3165672511
  H         5.6367339066        2.6735900515        2.3930245985
  H         3.9518416019        2.2649831632        2.7201337756
  H         4.1367518018        3.9079434394        0.8296165168
  H         3.4289981134        2.3934215280        0.2792026186
  H         6.3572012585        3.2504360006       -0.0797637751
  H         5.1467983162        3.1518426497       -1.3539314816
  H         6.6679078791        1.1310381250       -1.3288617466
  H         4.9725971621        0.6989496409       -1.0808696770
  H         7.1253743398        0.9467148525        1.0947717618
  H         6.4036625307       -0.5485008762        0.5079814340
  H         2.1435714138        0.4039796397        2.4445434640
  H         2.1333929063       -1.9341968831        3.8155722435
  H         0.7124645303       -1.6007121572        5.9951183980
  H         2.2431273698        0.0881933985        7.3266792344
  H         2.2874951957        2.4280480466        5.9639038999
  H         0.7618445375        2.1717436367        3.8405302686
  H        -0.5864187946        0.7644523693        5.7198591935
  H        -0.6356810126       -0.1321685279        4.1631094851
 Rh        14.7468779199       19.6393064861       14.9362745762
  P        13.0089161095       19.2119670287       13.4731299186
  C        13.1781481625       20.2079034006       11.9169702366
  C        13.5461712645       21.6785963997       12.1962985672
  C        13.8500010029       22.4122636793       10.8795925916
  C        12.6702053093       22.3264897589        9.9015310924
  C        12.2405027180       20.8716644839        9.6609835624
  C        11.9670963073       20.1184053074       10.9756836196
  C        12.7328405550       17.4551024664       12.9153341241
  C        13.7725014500       17.0324049536       11.8562195212
  C        13.6751402852       15.5392235198       11.5036631603
  C        13.7526448852       14.6571113865       12.7532103997
  C        12.6492498315       15.0374694588       13.7450249959
  C        12.7488642280       16.5183355593       14.1432083110
  C        11.3899677193       19.7247129872       14.2516185183
  C        11.4294524178       19.6006972112       15.7852069437
  P        13.0863560795       20.1105622837       16.4703361650
  C        12.8811016387       21.8830483431       16.9979499951
  C        14.0041961157       22.2813695253       17.9787962311
  C        14.0243609460       23.7875279077       18.2688946359
  C        14.0787140692       24.6128021745       16.9807092262
  C        12.8727013448       24.2854291023       16.0958333892
  C        12.8453959350       22.7891742054       15.7466583471
  C        13.3343067074       19.1527149206       18.0369822711
  C        13.6211876619       17.6645152738       17.7592661225
  C        14.0189262934       16.9466445751       19.0584955018
  C        12.9402346105       17.1049170389       20.1408901854
  C        12.6090139193       18.5852830061       20.3904225815
  C        12.2257237152       19.3172292253       19.0899431549
  C        16.4975309577       19.6115293450       16.3006282080
  C        16.4946127848       20.8231165441       15.6040051702
  C        17.3315329027       20.6025249399       14.3288044324
  C        16.4505571476       19.6376166823       13.5057117215
  C        16.4500996746       18.4261864835       14.2003221505
  C        17.3332758205       18.6313875502       15.4480714032
  C        18.3945690870       19.6098518102       14.8733971438
  H        14.0440057462       19.7421198946       11.4173268823
  H        12.7108717419       22.1794474329       12.7084635074
  H        14.4082516778       21.7296379170       12.8793882357
  H        14.1009304153       23.4619928802       11.0857146942
  H        14.7451260928       21.9657316471       10.4219259183
  H        12.9364004586       22.8032727667        8.9464467269
  H        11.8211664549       22.8977206947       10.3022229468
  H        11.3371520450       20.8376891697        9.0339903303
  H        13.0362773231       20.3481127055        9.1080146340
  H        11.7099682969       19.0732577838       10.7605496078
  H        11.0910365113       20.5575183505       11.4709510825
  H        11.7307621322       17.4192107468       12.4572799443
  H        13.6446332708       17.6302424997       10.9441281518
  H        14.7855309535       17.2483991719       12.2247759843
  H        12.7253489854       15.3453261355       10.9856851037
  H        14.4756464648       15.2834013912       10.7946796394
  H        13.6757508976       13.5982332198       12.4681662180
  H        14.7359579335       14.7699126664       13.2334813145
  H        11.6674555498       14.8376533842       13.2943168803
  H        12.7066215939       14.4223594392       14.6536466239
  H        11.9267757663       16.7760108382       14.8272967886
  H        13.6816137800       16.6853334301       14.7059270960
  H        10.5623480433       19.1389988383       13.8259658935
  H        11.2228061446       20.7703951814       13.9566181228
  H        10.6266178677       20.1875257259       16.2544187830
  H        11.2801316944       18.5550708538       16.0890891823
  H        11.9118537546       21.9599380198       17.5169505641
  H        13.8931902261       21.7293150866       18.9221204655
  H        14.9791831568       21.9850034464       17.5680376988
  H        13.1226698078       24.0619567397       18.8351181118
  H        14.8829503936       24.0152588530       18.9141963874
  H        14.1118134232       25.6838270404       17.2225854123
  H        15.0101738782       24.3980381510       16.4355258833
  H        12.8926318049       24.8672931148       15.1627715269
  H        11.9466617701       24.5652752895       16.6182708547
  H        11.9519929885       22.5630301581       15.1466338648
  H        13.7142634022       22.5503491985       15.1126524379
  H        14.2599580177       19.5920459760       18.4455613713
  H        12.7254083479       17.1839014061       17.3385689267
  H        14.4139637773       17.5697359151       17.0004496303
  H        14.2042158859       15.8834608040       18.8494625039
  H        14.9716006109       17.3607952139       19.4226491862
  H        12.0289176148       16.5749127814       19.8267881570
  H        13.2678463496       16.6278257566       21.0758685783
  H        11.7867620505       18.6763334140       21.1156191320
  H        13.4838604090       19.0829698834       20.8393295818
  H        11.2864874124       18.9027637617       18.7009262367
  H        12.0376425482       20.3784409434       19.2988501932
  H        16.2571250114       19.4593980673       17.3489639236
  H        16.2356595574       21.8046285341       15.9909447015
  H        17.6684274529       21.5049824418       13.8134287430
  H        16.1692654788       19.7977689411       12.4690164383
  H        16.1561318401       17.4512876967       13.8216070086
  H        17.6724603516       17.7218516059       15.9501008811
  H        19.0065828233       19.1613195510       14.0849614883
  H        19.0330192495       20.0514691384       15.6462446227
 Rh         5.8997526451       10.0510851190       15.0430520135
  P         4.0981482834        9.6584170711       13.6438804305
  C         3.7318634016        7.8892312537       13.1867973603
  C         3.8472856918        6.9958083581       14.4405017439
  C         3.7874149965        5.4968084722       14.1076304424
  C         4.8249451255        5.1143108063       13.0507588798
  C         4.5938376841        5.9280412553       11.7779531832
  C         4.6776873262        7.4337657120       12.0642706350
  C         2.5240321978       10.2709907864       14.4303155609
  C         2.5884029446       10.1439834630       15.9603156432
  P         4.2827506700       10.5857708550       16.5996571647
  C         4.1416001675       12.3691092599       17.0965478041
  C         4.0944667597       13.2454785598       15.8246074010
  C         4.1511049086       14.7477783552       16.1370116248
  C         5.3787087837       15.0740054319       16.9907584291
  C         5.3457942234       14.2706896293       18.2929973575
  C         5.2998336549       12.7605496724       18.0344632288
  C         4.5033016282        9.6251290545       18.1666542329
  C         4.7286978033        8.1280578476       17.8789683901
  C         5.0305588007        7.3665856089       19.1771387528
  C         3.9168338651        7.5654122710       20.2147170591
  C         3.3830992518        9.8391100316       19.1965402834
  C         3.6755042687        9.0571802232       20.4896502073
  C         4.2928990928       10.6053830408       12.0611764664
  C         4.7549912570       12.0557217801       12.3097983859
  C         5.0893570390       12.7454307171       10.9771312795
  C         3.9006122203       12.7099490580       10.0062321263
  C         3.3771174318       11.2800320914        9.8042105903
  C         3.0635970676       10.5845584030       11.1423330335
  C         7.7215058314       11.1547201911       15.6634117656
  C         7.5320326966        8.7373579306       14.3088854488
  C         8.4387133119        8.9176292603       15.5443732233
  C         9.5488384107        9.8249721624       14.9430705677
  C         8.5349729353       10.8640774999       14.3861398457
  C         7.6657402370        9.9586856072       16.3837995508
  C         7.5912193320        9.9335055718       13.5908649390
  H         2.6957045037        7.8554838702       12.8122312869
  H         4.8034457763        7.2149952229       14.9421751791
  H         3.0567959928        7.2467735777       15.1622644210
  H         2.7842251051        5.2306842843       13.7468559206
  H         3.9495417808        4.9330883805       15.0320596967
  H         5.8376847758        5.3005906027       13.4393082793
  H         4.7812949117        4.0380677063       12.8318556380
  H         5.3245588238        5.6652581153       11.0011380163
  H         3.6019600304        5.6872558879       11.3698268936
  H         4.4476526335        7.9923044211       11.1518794529
  H         5.7147971697        7.6854695798       12.3305933099
  H         2.4112810473       11.3231188565       14.1346008018
  H         1.6589653305        9.7312848681       14.0187920125
  H         1.8266245585       10.7691725059       16.4474560575
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  F        11.2158977305        9.0220371191       20.1782652319
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  C        12.7507723999        9.3972400832       16.9412996201
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  C        15.7685040877       12.0602140863       15.2078758869
  C        16.7072539439       13.0266197002       14.8262221956
  C        17.0969836551       13.1613811436       13.4867363391
  C        16.5226791679       12.2976531345       12.5468665468
  C        15.5870707618       11.3316037771       12.9427831403
  C        16.8478514261       12.4024275364       11.0774656957
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  F        15.7485255330       12.8159818970       10.3425771349
  F        17.2338769081       11.1879782661       10.5589999955
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  F        18.1496404973       14.8396848756       15.4055746641
  F        17.8382452110       13.2540593556       16.9317378288
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  C        12.5733040565        8.3457650235       13.3455428974
  C        11.0269499624        6.7009937923       12.2293300599
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  F        11.9225458554        5.6922602150       12.4656231187
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  F        10.6299915450       12.6546158998       11.7350752233
  F        11.7572706037       11.8865201078        9.9873829925
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  C        15.8256899571        8.5409966809       16.2929872196
  C        16.7660391289        7.5202780873       16.4742721081
  C        17.0806026892        6.6432894221       15.4340282015
  C        16.4696215543        6.8258301689       14.2031128902
  C        15.5559182025        7.8664037645       14.0060286919
  C        17.4489542751        7.2088464736       17.7733114161
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  H        15.1199855395        7.9935486216       13.0162254172
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  F         3.3565173548       17.0852721152       18.6313417035
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  C         2.8841219526       20.6535151912       18.1211585965
  C         2.8983523794       23.0527138954       17.4262941427
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  F         3.9127449539       23.9631661806       17.3075663833
  F         1.9890507868       23.3595917256       16.4296710499
  B         5.5902993379       19.6254153158       14.6688705546
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  C         7.2262659186       18.2556766121       16.2519405026
  C         8.1987889857       17.2817744517       16.5039118077
  C         8.6029729033       16.3904623771       15.5094429564
  C         8.0138418378       16.5117130927       14.2528543885
  C         7.0521138085       17.4969576007       13.9951093826
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  F         9.2152692144       14.5630153015       13.5674357874
  F         9.1134618920       16.2368995142       12.1640180960
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  F        10.0086128963       16.5641926428       17.8936082575
  F         7.9610121275       16.3835976688       18.6995704425
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  C         7.1870922139       21.6984171571       15.2074271642
  C         8.1209859697       22.6796403553       14.8537068726
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  C         7.9873052150       21.9827215498       12.5702631922
  C         7.0498463627       21.0060173005       12.9255180641
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  F         9.3749430538       23.0300089873       10.9262929311
  F         7.3278060830       22.5111207858       10.3394375269
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  F         9.5903172984       24.4647171435       15.4075461134
  F         7.6911697346       24.3595656365       16.5008746700
  F         9.2711367628       22.8833148891       16.9356965285
  C         4.5185940744       19.2836565661       13.4714535348
  C         4.0232432810       17.9871461042       13.2468156952
  C         3.0493624150       17.7177431968       12.2729604173
  C         2.5248254022       18.7378295221       11.4837552711
  C         2.9877367562       20.0394597460       11.7046527879
  C         3.9538777382       20.3054047546       12.6794456771
  C         2.3887273210       21.1375651124       10.8787792960
  F         2.3730559450       20.7840870772        9.5385696072
  F         1.0828740841       21.4011428287       11.2184338782
  F         3.0421216681       22.3244667524       10.9958035135
  C         2.4915705503       16.3299836052       12.1602514205
  F         1.9329822985       16.0521418155       10.9407272709
  F         3.4360186774       15.3730354970       12.3929546447
  F         1.5199686285       16.1218576750       13.1202410123
  H         4.4023666102       17.9731192006       16.6610361134
  H         4.5758802896       22.1236660083       15.5599441335
  H         2.2169933667       20.9035982213       18.9413406247
  H         6.9421127644       18.9304577919       17.0583495275
  H         9.3449132930       15.6245075120       15.7116999178
  H         6.6355903632       17.5637014763       12.9909450135
  H         6.9035969040       21.6049031298       16.2553138859
  H         9.2448100930       23.6062833865       13.2501244536
  H         6.6546341718       20.3570741456       12.1450377307
  H         4.3983899944       17.1592476497       13.8462873469
  H         1.7721021437       18.5267588959       10.7283907290
  H         4.2759364179       21.3350233458       12.8237208345
  F        15.6885551595        1.2761214862       -0.2889946011
  C        15.7259211094        1.6364962548        1.0439383178
  F        17.0557530120        1.8967411064        1.3192171158
  F        15.0578609680        2.8196195527        1.1700405966
  C        15.1571155896        0.5633860091        1.9268968880
  C        14.2868653818        0.8740992270        2.9790044224
  C        13.7733215391       -0.1161849615        3.8432863842
  C        14.2090644515       -1.4303458132        3.6058777392
  C        15.0739872514       -1.7450084756        2.5498393716
  C        15.5550018661       -0.7567888097        1.6931856968
  C        15.5239505482       -3.1634960933        2.3803375506
  F        16.1181590884       -3.3849989692        1.1750338591
  F        14.4974147565       -4.0573277936        2.4934510079
  F        16.4262253508       -3.5207048413        3.3691679190
  B        12.8273471645        0.2609924820        5.1281960250
  C        11.7912520370        1.4833368852        4.7982950713
  C        11.1985141234        1.6284601663        3.5276751246
  C        10.2079747091        2.5857840912        3.2794832803
  C         9.7710712099        3.4429514123        4.2923723342
  C        10.3417003311        3.3096923827        5.5594361098
  C        11.3263090267        2.3464576673        5.8064377615
  C         9.8971012553        4.2055556342        6.6771247159
  F        10.9546127006        4.8778372569        7.2549881055
  F         8.9830425514        5.1311955761        6.2392324946
  F         9.3003679140        3.5289891223        7.7041083740
  C         9.6444581630        2.7475663128        1.8977165671
  F         9.5017758881        1.5424707135        1.2472362883
  F         8.4076722435        3.3411997973        1.9044897382
  F        10.4553268194        3.5266383729        1.1006058491
  C        11.8094916803       -0.9594182491        5.5447158473
  C        11.2464386533       -1.8267286767        4.5890448873
  C        10.3030582009       -2.8032196367        4.9336713528
  C         9.8668699327       -2.9449494146        6.2558584537
  C        10.3969062145       -2.0788937287        7.2163038601
  C        11.3434326538       -1.1084562595        6.8643211858
  C         9.9866980430       -2.1862514706        8.6591647367
  F         9.5885937502       -0.9739159712        9.1675871591
  F         8.9642974113       -3.0581952546        8.8713297472
  F        11.0213823414       -2.6067024744        9.4610820783
  C         9.7537972657       -3.6951160378        3.8542563037
  F         8.8195531484       -4.5660254872        4.3271341479
  F        10.7196679713       -4.4519131153        3.2294994856
  F         9.1422004554       -2.9674272607        2.8568350884
  C        13.8916175577        0.6192542267        6.3291185071
  C        14.3830414955        1.9185308091        6.5521980781
  C        15.3593961662        2.1901667465        7.5246648965
  C        15.8863749155        1.1712171617        8.3142912871
  C        15.4254020831       -0.1314480367        8.0959078373
  C        14.4590161348       -0.3996524887        7.1223254861
  C        16.0261073068       -1.2289755892        8.9217470392
  F        16.0415449631       -0.8756126626       10.2614342846
  F        17.3314933411       -1.4925976669        8.5814548527
  F        15.3726356964       -2.4162342422        8.8043350428
  C        15.9208936922        3.5773660396        7.6382328195
  F        16.4808861238        3.8555361555        8.8573255329
  F        14.9778948036        4.5360884133        7.4067681150
  F        16.8938790638        3.7863217795        6.6788473971
  H        14.0051771712        1.9141881451        3.1335282275
  H        13.8674359536       -2.2365314912        4.2544056537
  H        16.2251664095       -1.0066286803        0.8752963494
  H        11.5074831519        0.9727611432        2.7142149735
  H         9.0089646155        4.1899971831        4.0963063705
  H        11.7334522815        2.2657643742        6.8136612769
  H        11.5481669116       -1.7442429614        3.5452548799
  H         9.1418491453       -3.7060381561        6.5289626463
  H        11.7237539209       -0.4487360394        7.6434671945
  H        14.0044422932        2.7449569427        5.9521220966
  H        16.6401255041        1.3845771236        9.0680894472
  H        14.1384961940       -1.4294932011        6.9775791279
  H        10.9166393505        7.7310751551        3.3251576862
  H        11.8394160908        8.0288618492        5.5184333805
  H        11.1723571646       10.0820023549        3.3763846214
  H        12.6977117810       11.4757981792        4.6750510429
     648
 i =      20, E =    -4477.5278269665
 Rh         3.6587515280        0.2150726188        4.8533052720
  P         5.4025684337        0.6541337221        6.3041271251
  C         5.2341427228       -0.3219307055        7.8705822009
  C         4.8411993786       -1.7891352856        7.6055748991
  C         4.5190348799       -2.5001532841        8.9294969582
  C         5.6981949093       -2.4259059640        9.9090645610
  C         6.1618806694       -0.9779200636       10.1304565796
  C         6.4502030444       -0.2462205227        8.8061742077
  C         5.6557958851        2.4276419798        6.8163302555
  C         4.6582533315        2.8398541698        7.9193773309
  C         4.7066324275        4.3473609827        8.2112618594
  C         4.4843208854        5.1653893344        6.9369136166
  C         5.5426597797        4.8215323765        5.8864190379
  C         5.5370547476        3.3210627719        5.5600420419
  C         7.0199181549        0.1423553364        5.5247414188
  C         6.9743602303        0.2662873099        3.9911760704
  P         5.3165976496       -0.2523608078        3.3136848598
  C         5.5226833549       -2.0333467541        2.8180337309
  C         4.3864589230       -2.4482994395        1.8601091158
  C         4.3460732081       -3.9613030087        1.6145791530
  C         4.3043883237       -4.7543840604        2.9229528018
  C         5.5267564510       -4.4150957260        3.7796949572
  C         5.5705726325       -2.9109561296        4.0891909238
  C         5.0709284904        0.6792944046        1.7301026014
  C         4.7542601277        2.1678697735        1.9734667592
  C         4.3598684874        2.8473009574        0.6522179111
  C         5.4646435872        2.6970741163       -0.4040243237
  C         5.8301759120        1.2201947328       -0.6217343873
  C         6.1988980172        0.5144949857        0.6975142568
  C         1.9032768300        0.2595224434        3.4944522192
  C         1.8896211551       -0.9476019683        4.1979401879
  C         1.0623056660       -0.7067148053        5.4754687825
  C         1.9625431619        0.2478053323        6.2897554974
  C         1.9788314477        1.4559312621        5.5884320109
  C         1.0874560608        1.2579997523        4.3453123888
  C         0.0134466957        0.3003490790        4.9308755427
  H         4.3781019911        0.1614271436        8.3705553184
  H         5.6696450157       -2.3104704491        7.1026984415
  H         3.9807586209       -1.8327896557        6.9197675961
  H         4.2466883762       -3.5471611323        8.7362992523
  H         3.6324371907       -2.0290192434        9.3788360482
  H         5.4184697147       -2.8825482504       10.8697188643
  H         6.5341486379       -3.0230630073        9.5191482440
  H         7.0655222133       -0.9566806411       10.7577336743
  H         5.3785348817       -0.4297114069       10.6772915826
  H         6.7330204620        0.7955520925        9.0065747437
  H         7.3129940671       -0.7119521813        8.3125601979
  H         6.6777497216        2.5089608365        7.2208872330
  H         4.8659309352        2.2803631020        8.8411319032
  H         3.6362474873        2.5676389525        7.6191632638
  H         5.6831997410        4.6086629470        8.6440762244
  H         3.9517398525        4.5944620806        8.9709583063
  H         4.4980844519        6.2395608796        7.1677123647
  H         3.4832408607        4.9565340286        6.5319917402
  H         6.5334459271        5.1243653142        6.2512608574
  H         5.3651560373        5.3787940167        4.9561094935
  H         6.3499695423        3.0910588464        4.8555382623
  H         4.6001342541        3.0679547650        5.0375447386
  H         7.8478520165        0.7291727962        5.9481170902
  H         7.1889188460       -0.9029186458        5.8198091687
  H         7.7772582092       -0.3180385214        3.5189354102
  H         7.1186708947        1.3123759309        3.6864040389
  H         6.4858266464       -2.1225754973        2.2901008968
  H         4.4958730520       -1.9261626343        0.8995383057
  H         3.4192324675       -2.1270656992        2.2705445676
  H         5.2373206542       -4.2592270452        1.0439822923
  H         3.4766975988       -4.1981716593        0.9874863394
  H         4.2583448462       -5.8306652604        2.7074376302
  H         3.3838978681       -4.5187663119        3.4782219385
  H         5.5163482511       -4.9712307851        4.7285295730
  H         6.4419069190       -4.7161364991        3.2500070948
  H         6.4742417161       -2.6769714825        4.6702326019
  H         4.7122186254       -2.6510356388        4.7293594995
  H         4.1587296548        0.2172013893        1.3163642448
  H         5.6359822256        2.6742304839        2.3939135584
  H         3.9510951066        2.2649781030        2.7202972997
  H         4.1362040645        3.9083580677        0.8301424859
  H         3.4291426424        2.3936764519        0.2792312488
  H         6.3571285938        3.2518580289       -0.0786086051
  H         5.1472244660        3.1529005554       -1.3532176959
  H         6.6692366655        1.1327706494       -1.3278157545
  H         4.9739915605        0.6999224283       -1.0806621484
  H         7.1256577682        0.9481774715        1.0959853927
  H         6.4048314948       -0.5472354363        0.5086165262
  H         2.1429622716        0.4018536380        2.4446145548
  H         2.1342819592       -1.9352872341        3.8174387720
  H         0.7133317490       -1.6009671997        5.9968213872
  H         2.2431734957        0.0897886956        7.3269948668
  H         2.2862374444        2.4286064085        5.9624569181
  H         0.7603837835        2.1698827832        3.8394572888
  H        -0.5869094665        0.7632184190        5.7199357569
  H        -0.6358098276       -0.1345873680        4.1638638534
 Rh        14.7468149261       19.6403061897       14.9371884669
  P        13.0085996459       19.2132491163       13.4741759899
  C        13.1778085938       20.2091154961       11.9179917555
  C        13.5458674862       21.6798181813       12.1972663537
  C        13.8496643048       22.4133862764       10.8804813862
  C        12.6697944314       22.3276210017        9.9025111726
  C        12.2400014390       20.8728111891        9.6620133540
  C        11.9667012913       20.1195880652       10.9767614940
  C        12.7322761564       17.4564006067       12.9164788365
  C        13.7719706826       17.0336508754       11.8574381485
  C        13.6748158936       15.5404523897       11.5050634422
  C        13.7521522905       14.6583348231       12.7545965985
  C        12.6484762390       15.0387035677       13.7460799033
  C        12.7480431889       16.5195685814       14.1443119612
  C        11.3897908448       19.7261678246       14.2527861426
  C        11.4292883187       19.6016846015       15.7863251433
  P        13.0863473093       20.1109522549       16.4715454795
  C        12.8810979688       21.8832382455       16.9999414063
  C        14.0042943675       22.2812765490       17.9807720306
  C        14.0240875630       23.7872714701       18.2718251081
  C        14.0777749124       24.6133913010       16.9841361129
  C        12.8717207122       24.2860407225       16.0992693958
  C        12.8450505025       22.7899940379       15.7491200048
  C        13.3340258366       19.1524700164       18.0378629936
  C        13.6203966148       17.6642255525       17.7597989685
  C        14.0176211246       16.9458098852       19.0589091568
  C        12.9389582046       17.1043785893       20.1412855358
  C        12.6083115372       18.5848098144       20.3910803222
  C        12.2253655352       19.3170882244       19.0907166180
  C        16.4974070981       19.6108033557       16.3016294736
  C        16.4952158685       20.8228548530       15.6058265192
  C        17.3321467780       20.6026507025       14.3305561821
  C        16.4506735325       19.6387956517       13.5067549600
  C        16.4495212054       18.4268930611       14.2005514942
  C        17.3326971733       18.6307678419       15.4485072663
  C        18.3946044694       19.6090210477       14.8745806658
  H        14.0436497142       19.7433131638       11.4183420959
  H        12.7105889968       22.1807187772       12.7094286439
  H        14.4079634053       21.7308845530       12.8803408948
  H        14.1006452974       23.4631221237       11.0864965206
  H        14.7447421596       21.9667752012       10.4227999940
  H        12.9358517020       22.8044443234        8.9474114696
  H        11.8208059580       22.8988704651       10.3032666585
  H        11.3365538415       20.8389283857        9.0351503364
  H        13.0356590451       20.3491757139        9.1089481549
  H        11.7095440310       19.0744306419       10.7616753616
  H        11.0906882803       20.5587164116       11.4720956176
  H        11.7302279019       17.4206784612       12.4583423058
  H        13.6440481769       17.6313454357       10.9452588918
  H        14.7849714173       17.2498069018       12.2259425254
  H        12.7251886123       15.3463958253       10.9868602419
  H        14.4754715579       15.2847220179       10.7962617482
  H        13.6753611320       13.5994488773       12.4695172173
  H        14.7353462235       14.7712028334       13.2350937526
  H        11.6668273875       14.8389472716       13.2950303063
  H        12.7055002217       14.4235876077       14.6547118471
  H        11.9258196977       16.7772359949       14.8282400351
  H        13.6806914555       16.6865024465       14.7072121635
  H        10.5620296552       19.1407723388       13.8269661843
  H        11.2228793262       20.7719749790       13.9580846485
  H        10.6266428346       20.1886170608       16.2557383813
  H        11.2796695158       18.5560167599       16.0899193662
  H        11.9119189399       21.9597809336       17.5191329327
  H        13.8937020640       21.7285675477       18.9237658226
  H        14.9792443226       21.9854651840       17.5695339852
  H        13.1225610718       24.0610795649       18.8386042631
  H        14.8828480915       24.0147977150       18.9170338641
  H        14.1103919451       25.6842645875       17.2267179227
  H        15.0091954989       24.3993726188       16.4385991300
  H        12.8911749021       24.8686294401       15.1666362710
  H        11.9456319176       24.5650661695       16.6220726074
  H        11.9517293985       22.5638554476       15.1489712600
  H        13.7140131503       22.5518808611       15.1149698033
  H        14.2597839578       19.5913806122       18.4466631291
  H        12.7245066713       17.1840864544       17.3387969053
  H        14.4132680889       17.5693349543       17.0011004202
  H        14.2023284311       15.8825557554       18.8496867208
  H        14.9704952899       17.3593513131       19.4232300302
  H        12.0274337491       16.5747848949       19.8270893139
  H        13.2663385224       16.6269946667       21.0761961925
  H        11.7860949462       18.6760623320       21.1162940839
  H        13.4833377142       19.0820993181       20.8400859372
  H        11.2860739659       18.9029336549       18.7014959926
  H        12.0375217655       20.3783042586       19.2997950657
  H        16.2567658855       19.4580788296       17.3498205836
  H        16.2366924379       21.8042238729       15.9933963094
  H        17.6695886997       21.5052644568       13.8158074167
  H        16.1695062263       19.7998246272       12.4701685493
  H        16.1551398693       17.4524043697       13.8211459534
  H        17.6713050665       17.7207003775       15.9499646705
  H        19.0064756380       19.1606848061       14.0859079448
  H        19.0332146147       20.0497427003       15.6478051843
 Rh         5.8990759307       10.0502553246       15.0428771659
  P         4.0971715603        9.6579179363       13.6440173966
  C         3.7307932046        7.8888647957       13.1866854617
  C         3.8452522288        6.9954573169       14.4404925129
  C         3.7853910175        5.4964932122       14.1075230535
  C         4.8238797781        5.1139271979       13.0516292730
  C         4.5938024696        5.9275123986       11.7785364171
  C         4.6772506743        7.4332945052       12.0646923145
  C         2.5232180303       10.2704917916       14.4307645203
  C         2.5879357368       10.1437237812       15.9607639119
  P         4.2824384674       10.5854360654       16.5997462872
  C         4.1414646194       12.3687666369       17.0966063429
  C         4.0939144431       13.2452232129       15.8247554135
  C         4.1505286248       14.7474976677       16.1373237374
  C         5.3783586484       15.0737068350       16.9907696162
  C         5.3459001987       14.2702324101       18.2929273910
  C         5.3000106137       12.7601392500       18.0341522257
  C         4.5033116544        9.6250100237       18.1668453537
  C         4.7283073117        8.1278422502       17.8793326124
  C         5.0302165311        7.3665191057       19.1775750522
  C         3.9166248023        7.5656302999       20.2152336140
  C         3.3834257127        9.8394210457       19.1969132298
  C         3.6756186612        9.0574777194       20.4900323747
  C         4.2917934018       10.6050457898       12.0614119502
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  F        11.9225414794        5.6922103638       12.4655875106
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  F        10.6298509932       12.6545829044       11.7351434219
  F        11.7568189063       11.8866086170        9.9877090565
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  C        15.5553397445        7.8662215360       14.0061313487
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  F        16.7865981830        6.2533612808       18.4849711663
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  H        17.7843411800        5.8362501390       15.5891868083
  H        15.1207789729        7.9935275654       13.0157317158
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  F         3.3565695182       17.0851277268       18.6313756297
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  C         2.8986129335       23.0525464152       17.4263644308
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  F         3.9127685605       23.9632384553       17.3075769661
  F         1.9891361652       23.3595647459       16.4297641649
  B         5.5907909519       19.6255100070       14.6685381106
  C         6.6177220964       18.3910077285       14.9888658829
  C         7.2266586266       18.2559535028       16.2516444069
  C         8.1987338277       17.2816969479       16.5039170522
  C         8.6025373769       16.3899731619       15.5096578653
  C         8.0139086635       16.5115629967       14.2528731780
  C         7.0526787093       17.4971734370       13.9948136537
  C         8.4119614734       15.5865438279       13.1447553379
  F         7.3127989267       15.0293855232       12.5391196430
  F         9.2152814746       14.5629669922       13.5674310655
  F         9.1134581781       16.2368869048       12.1640351650
  C         8.7682761537       17.1461856760       17.8802453816
  F         8.9096313956       18.3690839551       18.4852373465
  F        10.0085963469       16.5641934062       17.8936061768
  F         7.9609998917       16.3835843892       18.6995867599
  C         6.6087841783       20.8419845146       14.2511686622
  C         7.1877153903       21.6982185699       15.2072832747
  C         8.1213370840       22.6796953098       14.8536157361
  C         8.5317890459       22.8379109836       13.5279740882
  C         7.9874982816       21.9831335660       12.5701630087
  C         7.0498902531       21.0065731268       12.9252465525
  C         8.3842138337       22.1135521243       11.1302362068
  F         8.8227191166       20.9024658291       10.6300919171
  F         9.3749982003       23.0300858417       10.9262406442
  F         7.3278021170       22.5111475143       10.3394175857
  C         8.6671790047       23.5907544984       15.9119485960
  F         9.5903621736       24.4647604372       15.4075679263
  F         7.6911842446       24.3595494985       16.5008577624
  F         9.2711534389       22.8833182297       16.9357192685
  C         4.5189646250       19.2837457306       13.4711525112
  C         4.0239586438       17.9871482282       13.2461568344
  C         3.0495391391       17.7177782746       12.2728098643
  C         2.5246707305       18.7379382017       11.4839126878
  C         2.9876693005       20.0395399173       11.7047448915
  C         3.9538269711       20.3055430110       12.6795052647
  C         2.3886838237       21.1375939525       10.8788142005
  F         2.3730518794       20.7840905052        9.5385978979
  F         1.0828454783       21.4011557751       11.2184378474
  F         3.0421117230       22.3244789761       10.9958061235
  C         2.4916304695       16.3300102948       12.1602290287
  F         1.9329884510       16.0521460643       10.9407273319
  F         3.4360300138       15.3730320546       12.3929542654
  F         1.5199998843       16.1218818193       13.1202212824
  H         4.4038207947       17.9729469987       16.6609186091
  H         4.5760610255       22.1232927849       15.5593696398
  H         2.2199766579       20.9031675741       18.9429873741
  H         6.9426609665       18.9310441295       17.0578539135
  H         9.3438668000       15.6235230574       15.7122601440
  H         6.6365730987       17.5641495391       12.9904979076
  H         6.9046724785       21.6042719257       16.2552515960
  H         9.2451661859       23.6066183573       13.2501668197
  H         6.6544066169       20.3581401597       12.1445008309
  H         4.3998631561       17.1591064222       13.8449393486
  H         1.7716711378       18.5270030088       10.7287875668
  H         4.2755368210       21.3352481845       12.8239699890
  F        15.6885607637        1.2761280825       -0.2889993510
  C        15.7259117586        1.6364411648        1.0439159277
  F        17.0557402421        1.8967397954        1.3192142712
  F        15.0578600183        2.8196315893        1.1700378301
  C        15.1570557575        0.5633160738        1.9267951450
  C        14.2869378054        0.8739993431        2.9790439115
  C        13.7729502025       -0.1163411688        3.8430371164
  C        14.2083011572       -1.4305192807        3.6050732343
  C        15.0736547097       -1.7450819032        2.5493669067
  C        15.5548570614       -0.7568445398        1.6928688988
  C        15.5238699666       -3.1634975227        2.3801109570
  F        16.1181786282       -3.3850218130        1.1749427170
  F        14.4974274460       -4.0573480212        2.4933899531
  F        16.4262400041       -3.5206178849        3.3690102898
  B        12.8271185217        0.2608710165        5.1281757629
  C        11.7913357952        1.4834486316        4.7983615535
  C        11.1987309795        1.6286825652        3.5277033175
  C        10.2079466054        2.5857772792        3.2795712311
  C         9.7709298700        3.4427427321        4.2925584205
  C        10.3417526269        3.3096510180        5.5595267103
  C        11.3263294931        2.3464599641        5.8065625520
  C         9.8973765980        4.2056287915        6.6771764621
  F        10.9546123445        4.8776090956        7.2550069039
  F         8.9827398246        5.1306499064        6.2392279948
  F         9.3003640640        3.5288926877        7.7041593429
  C         9.6444180768        2.7475520068        1.8978262844
  F         9.5017799776        1.5424739408        1.2472487557
  F         8.4076724856        3.3411973405        1.9044985621
  F        10.4553131949        3.5266172972        1.1006197908
  C        11.8088133744       -0.9591350953        5.5448127435
  C        11.2463824522       -1.8271791845        4.5894288694
  C        10.3021142757       -2.8028587628        4.9338081531
  C         9.8649514999       -2.9437114864        6.2557688694
  C        10.3956704556       -2.0780826977        7.2162107566
  C        11.3419666004       -1.1074267783        6.8642312450
  C         9.9863388476       -2.1860667698        8.6591702984
  F         9.5885306014       -0.9738126960        9.1677155777
  F         8.9642009047       -3.0582020196        8.8713859788
  F        11.0212946618       -2.6066874005        9.4609219323
  C         9.7535392036       -3.6950579877        3.8542961338
  F         8.8194762359       -4.5660579833        4.3271301564
  F        10.7196216507       -4.4518046472        3.2296119046
  F         9.1421424803       -2.9674158607        2.8567615294
  C        13.8914422920        0.6188930997        6.3292223066
  C        14.3829106310        1.9182058992        6.5522515801
  C        15.3593541252        2.1899844890        7.5246239955
  C        15.8863711632        1.1710659478        8.3142430674
  C        15.4252703539       -0.1315718375        8.0960227106
  C        14.4587344152       -0.3999399070        7.1226283320
  C        16.0260347510       -1.2290626717        8.9217915729
  F        16.0415376526       -0.8756414606       10.2614539215
  F        17.3314610338       -1.4926043629        8.5814606486
  F        15.3725928443       -2.4163172182        8.8043145069
  C        15.9208552111        3.5772161327        7.6382014215
  F        16.4808734196        3.8554893457        8.8572626645
  F        14.9779535777        4.5359604755        7.4067145722
  F        16.8938839256        3.7862974452        6.6788258285
  H        14.0056202355        1.9141403296        3.1338704145
  H        13.8660025090       -2.2368796931        4.2529745676
  H        16.2249672055       -1.0066496864        0.8749282147
  H        11.5079676418        0.9731542484        2.7142125688
  H         9.0086938945        4.1896802034        4.0966617821
  H        11.7332777037        2.2657338008        6.8138751729
  H        11.5491659934       -1.7458728147        3.5458704191
  H         9.1387123214       -3.7036612041        6.5288619715
  H        11.7213848080       -0.4470675919        7.6432937407
  H        14.0040696328        2.7445682002        5.9522301191
  H        16.6401958846        1.3844527947        9.0679380185
  H        14.1382069619       -1.4298748412        6.9783292199
  H        10.9857200721        7.6761682022        3.4336167708
  H        11.7858238596        8.0371870861        5.6579344017
  H        11.2040882031       10.0335999265        3.3529438851
  H        12.6022616260       11.4896643581        4.8008186553
     648
 i =      20, E =    -4477.5245728680
 Rh         3.6585440257        0.2155102346        4.8533596174
  P         5.4022927119        0.6546633173        6.3042932334
  C         5.2339588226       -0.3216564390        7.8706411798
  C         4.8408877415       -1.7888007732        7.6055134137
  C         4.5187795294       -2.4999211570        8.9293945890
  C         5.6980249511       -2.4258632265        9.9088768562
  C         6.1618961315       -0.9779458904       10.1303332585
  C         6.4501515366       -0.2461575516        8.8060878677
  C         5.6554392160        2.4280867791        6.8168278021
  C         4.6574789791        2.8400725056        7.9195738437
  C         4.7057740900        4.3475112102        8.2118090273
  C         4.4840181586        5.1658389113        6.9375532686
  C         5.5426879675        4.8220871028        5.8873498995
  C         5.5369954229        3.3216868700        5.5606499048
  C         7.0197134421        0.1429317394        5.5249890325
  C         6.9742416336        0.2666957125        3.9914224324
  P         5.3165076883       -0.2520056699        3.3138690532
  C         5.5225467517       -2.0330076073        2.8181027120
  C         4.3863881737       -2.4477774960        1.8600066631
  C         4.3456968572       -3.9607901874        1.6145129844
  C         4.3037099793       -4.7538302269        2.9229113441
  C         5.5260564242       -4.4147742343        3.7797890915
  C         5.5701405957       -2.9106353882        4.0892554562
  C         5.0710749313        0.6797794504        1.7303090720
  C         4.7539162847        2.1682221502        1.9738452760
  C         4.3597520402        2.8477472730        0.6525805980
  C         5.4648879552        2.6980262479       -0.4033647074
  C         5.8310261272        1.2213007704       -0.6211731146
  C         6.1994870464        0.5155092897        0.6981045489
  C         1.9029350789        0.2582565621        3.4946714059
  C         1.8899385449       -0.9484171887        4.1989638486
  C         1.0625167323       -0.7071352801        5.4763509078
  C         1.9623565805        0.2483349547        6.2899654603
  C         1.9780184281        1.4560127127        5.5878855490
  C         1.0866481104        1.2568628052        4.3449465389
  C         0.0131276189        0.2990599255        4.9311577755
  H         4.3780253260        0.1616641521        8.3708236178
  H         5.6692474297       -2.3101445462        7.1025042081
  H         3.9803872662       -1.8323070305        6.9197733973
  H         4.2463240472       -3.5468940471        8.7361359539
  H         3.6322520526       -2.0287539672        9.3788433188
  H         5.4183301390       -2.8825439324       10.8695271525
  H         6.5338834066       -3.0230873245        9.5188554049
  H         7.0656078885       -0.9568534649       10.7575203246
  H         5.3786746432       -0.4296883063       10.6773002072
  H         6.7331142659        0.7955662092        9.0065487759
  H         7.3128354594       -0.7119333249        8.3123217735
  H         6.6772736699        2.5094613926        7.2216986774
  H         4.8647718620        2.2803869436        8.8412989642
  H         3.6355961362        2.5679290643        7.6188509150
  H         5.6821822659        4.6086740994        8.6450643111
  H         3.9505926718        4.5944725156        8.9712642557
  H         4.4978296488        6.2399486383        7.1686336673
  H         3.4830494950        4.9571795068        6.5322544777
  H         6.5334024584        5.1246637393        6.2525886639
  H         5.3656407145        5.3796189585        4.9571203900
  H         6.3500425816        3.0917622825        4.8562829156
  H         4.6001453826        3.0687302606        5.0379588133
  H         7.8476039954        0.7298390137        5.9483334717
  H         7.1887512709       -0.9023060653        5.8201648664
  H         7.7772169066       -0.3176261303        3.5193037891
  H         7.1185441180        1.3127576471        3.6865582129
  H         6.4857525081       -2.1223640420        2.2902989225
  H         4.4961009945       -1.9257094856        0.8994319207
  H         3.4191586999       -2.1263045867        2.2702552223
  H         5.2369317117       -4.2589407461        1.0440123252
  H         3.4763345472       -4.1974855590        0.9873313452
  H         4.2574703122       -5.8301149160        2.7074252420
  H         3.3832015015       -4.5179986861        3.4780712003
  H         5.5154102304       -4.9709016203        4.7286271436
  H         6.4412069873       -4.7160222387        3.2502159865
  H         6.4737952428       -2.6768002348        4.6703809665
  H         4.7117830970       -2.6505243461        4.7293383509
  H         4.1591531570        0.2175339182        1.3161566932
  H         5.6353342254        2.6747738690        2.3946850478
  H         3.9504647036        2.2649387152        2.7204145171
  H         4.1357276986        3.9087065894        0.8305993262
  H         3.4292787457        2.3938968838        0.2792541513
  H         6.3570688294        3.2530981545       -0.0776170303
  H         5.1475869788        3.1538425040       -1.3526006066
  H         6.6703887761        1.1343079576       -1.3269483248
  H         4.9752106521        0.7007863906       -1.0805119726
  H         7.1259307896        0.9494578831        1.0969915556
  H         6.4058768805       -0.5461207854        0.5091208037
  H         2.1423536361        0.3999490675        2.4446842259
  H         2.1350080946       -1.9362604880        3.8190983353
  H         0.7139635948       -1.6012154984        5.9982832915
  H         2.2431223775        0.0911032763        7.3272969380
  H         2.2850198250        2.4290649155        5.9612885114
  H         0.7590794613        2.1682466147        3.8385256378
  H        -0.5874362959        0.7621303059        5.7199490714
  H        -0.6359691559       -0.1367080755        4.1644642871
 Rh        14.7467647724       19.6412007601       14.9379757453
  P        13.0083554842       19.2143742243       13.4750934608
  C        13.1775161711       20.2101723508       11.9188753256
  C        13.5456029877       21.6808837168       12.1981044764
  C        13.8493695989       22.4143636070       10.8812491248
  C        12.6694378436       22.3286063093        9.9033576720
  C        12.2395651517       20.8738116425        9.6629071125
  C        11.9663576302       20.1206187962       10.9776984823
  C        12.7317815219       17.4575352096       12.9174731379
  C        13.7715003140       17.0347293439       11.8584994286
  C        13.6745320504       15.5415161495       11.5062814889
  C        13.7517211102       14.6593948512       12.7558046315
  C        12.6478001135       15.0397773907       13.7469957410
  C        12.7473240327       16.5206434588       14.1452654354
  C        11.3896591090       19.7274264313       14.2538038982
  C        11.4291683261       19.6025464027       15.7872999029
  P        13.0863711286       20.1112942173       16.4725929106
  C        12.8810875491       21.8833944392       17.0016882795
  C        14.0043657813       22.2811941822       17.9825055363
  C        14.0238204577       23.7870397051       18.2744036848
  C        14.0769347815       24.6138849606       16.9871438812
  C        12.8708539537       24.2865687900       16.1022731015
  C        12.8447370253       22.7907012079       15.7512781961
  C        13.3337859924       19.1522593909       18.0386344139
  C        13.6197055027       17.6639760525       17.7602666475
  C        14.0164805404       16.9450854022       19.0592755086
  C        12.9378408498       17.1039070592       20.1416404466
  C        12.6076972875       18.5843999656       20.3916589184
  C        12.2250517796       19.3169669827       19.0913920873
  C        16.4972940591       19.6101843475       16.3024985685
  C        16.4957480892       20.8226316264       15.6074237119
  C        17.3326898073       20.6027675087       14.3320854392
  C        16.4507777605       19.6398318343       13.5076642216
  C        16.4490045189       18.4275224548       14.2007565759
  C        17.3321788978       18.6302313473       15.4488895348
  C        18.3946321435       19.6082922361       14.8756167564
  H        14.0433482806       19.7443571794       11.4192119433
  H        12.7103383251       22.1818204200       12.7102604160
  H        14.4077088389       21.7319654477       12.8811756262
  H        14.1003936475       23.4641100449       11.0871606699
  H        14.7444139849       21.9676830786       10.4235569696
  H        12.9353644633       22.8054798072        8.9482507533
  H        11.8204933640       22.8998726193       10.3041629894
  H        11.3360324654       20.8400198562        9.0361567492
  H        13.0351212273       20.3500972400        9.1097606882
  H        11.7091762807       19.0754465659       10.7626640442
  H        11.0903881554       20.5597615925       11.4730973713
  H        11.7297551416       17.4219833200       12.4592667009
  H        13.6435432496       17.6323067255       10.9462400810
  H        14.7844772417       17.2510264596       12.2269691124
  H        12.7250370159       15.3473261298       10.9878903955
  H        14.4753128483       15.2858572241       10.7976279043
  H        13.6750307135       13.6004977564       12.4707004003
  H        14.7348134415       14.7723303687       13.2364971528
  H        11.6662805570       14.8400657437       13.2956490758
  H        12.7045229245       14.4246588400       14.6556353064
  H        11.9249893770       16.7783061199       14.8290555572
  H        13.6798840868       16.6875272705       14.7083149056
  H        10.5617842379       19.1422958890       13.8278372970
  H        11.2229583069       20.7733370065       13.9593510248
  H        10.6267052944       20.1895868825       16.2568858519
  H        11.2792809009       18.5568523112       16.0906516879
  H        11.9119671645       21.9596133425       17.5210393596
  H        13.8941465338       21.7279148105       18.9252053142
  H        14.9792886440       21.9858901092       17.5708483722
  H        13.1224318657       24.0602984943       18.8416470564
  H        14.8827591108       24.0143796546       18.9194618018
  H        14.1091577561       25.6846259612       17.2303255616
  H        15.0083311299       24.4005170912       16.4413238321
  H        12.8899042947       24.8697790665       15.1700112757
  H        11.9447224636       24.5648782769       16.6253859064
  H        11.9514947921       22.5645687457       15.1510160571
  H        13.7137868129       22.5532128833       15.1170080355
  H        14.2596308534       19.5907948008       18.4476346733
  H        12.7237194139       17.1842548014       17.3390032098
  H        14.4126545462       17.5689930466       17.0016720989
  H        14.2006828785       15.8817748083       18.8498809167
  H        14.9695269414       17.3580938327       19.4237467654
  H        12.0261375041       16.5746746091       19.8273596831
  H        13.2650200470       16.6262781854       21.0764938356
  H        11.7855201147       18.6758281926       21.1168854240
  H        13.4828781278       19.0813355961       20.8407459519
  H        11.2857162897       18.9030855319       18.7019920634
  H        12.0374195306       20.3781799840       19.3006223476
  H        16.2564790510       19.4569496526       17.3505744899
  H        16.2376423556       21.8038885748       15.9955620832
  H        17.6706170574       21.5055175539       13.8178824019
  H        16.1697591484       19.8016119626       12.4711401793
  H        16.1542836397       17.4533794752       13.8207266725
  H        17.6702808830       17.7196994147       15.9498433834
  H        19.0063827273       19.1601196506       14.0867320980
  H        19.0333837692       20.0482322799       15.6491784232
 Rh         5.8984822848       10.0495467166       15.0427269481
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  H         3.9541413167       12.6140306966       12.8212664925
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  H         5.9509289555       12.2388435357       10.5234986728
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  H         7.1777263017        7.7705722454       13.9524190277
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  H        10.2181661143       10.2420140814       15.7006919409
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  H         7.4294964362        9.8420266974       17.4364654573
  H         7.2991670790       10.0856106787       12.5538851389
 Rh        12.5502343174        9.9751994825        4.7355281945
  P        14.2273917325       10.2552948630        6.1916544054
  C        14.4110348801       12.0144786529        6.7575842518
  C        14.8830988653       12.9815942076        5.6554982211
  C        14.9385929005       14.4272497811        6.1885465919
  C        13.5961786252       14.8771941926        6.7768422552
  C        13.1566594863       13.9256059722        7.8939881031
  C        13.0811668378       12.4920928157        7.3620629748
  C        15.8804664448        9.7891530643        5.4486416161
  C        15.8938663230        9.9428714385        3.9160155521
  P        14.2567272232        9.4369653204        3.1901446792
  C        14.4462403940        7.6436396152        2.7045639468
  C        14.5617483583        6.7698190959        3.9732830707
  C        14.4580849850        5.2639002170        3.6803532045
  C        13.1722990818        4.9452753211        2.9131028317
  C        13.1530322663        5.7225728718        1.5935225105
  C        13.2485919356        7.2357551696        1.8227364282
  C        14.0348474183       10.3385378236        1.5875415203
  C        13.7882525913       11.8441803555        1.8068256784
  C        13.4047758487       12.5207479881        0.4825681806
  C        14.4680954629       12.2899887162       -0.5994962796
  C        15.1221714398       10.0950137683        0.5282350472
  C        14.7536602558       10.7930004787       -0.7933593028
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  C        13.7643277920        7.7796798666        7.5313960986
  C        13.3789539273        7.1010874810        8.8542457214
  C        14.5009994932        7.2420456037        9.8874971307
  C        14.9077726949        8.7114578093       10.0749732023
  C        15.2293913327        9.4186424534        8.7428580576
  C        10.6444157536        7.9097125063        5.7028270495
  C        10.3109088708       10.2268428209        4.0090925767
  C         9.3718788595        8.9962808719        3.9598210011
  C         8.6239166205        9.1342854507        5.3015563980
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  C        10.1994900599        7.7257745790        4.2232876041
  C        10.6403031029       10.3886595581        5.4940378956
  H        15.1790173051       11.9894776078        7.5481569351
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  H        15.8724562908       12.6880076156        5.2757447290
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  H        16.0426224644       10.9950682592        3.6380115081
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  H        14.5086426395        4.7117159470        4.6304769160
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  H        13.2511993972       13.5962265914        0.6484961146
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  H        13.1541261689        9.7219719430        8.2117163321
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  H        10.4018302697       11.3625232323        5.9250997055
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  F         7.3406010377       10.8260858119       -0.2935640513
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  C         6.8644297271        8.8053841309        1.5743144086
  C         6.3840729986        7.8156432251        2.4297231060
  C         5.5561648044        8.1449041891        3.5151152173
  C         5.1643258504        9.4704673524        3.7865332654
  C         5.7021367450       10.4575788637        2.9308060845
  B         4.2509944744        9.8921284252        5.0938703155
  C         3.2134922990        8.7228204291        5.5841501675
  C         2.6208900624        7.8417603389        4.6727877018
  C         1.6942198306        6.8692137447        5.0669660105
  C         1.3036178377        6.7345025186        6.4008936441
  C         1.8659763856        7.6232252304        7.3258526957
  C         2.7838281013        8.6000216008        6.9201152269
  C         1.5603960827        7.5265715570        8.7954694235
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  F         2.6715985559        7.1586998759        9.5288967281
  F         1.1747563705        8.7329544368        9.3148881794
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  F         2.2500843973        5.2400767271        3.4428169511
  F         0.2608280284        5.0675432145        4.3282072735
  F         0.7216048275        6.7240467869        2.9278510176
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  C         5.7798432394        9.1876914935        7.0891027828
  C         6.7028623288        9.3959880746        8.1120075120
  C         7.1939805594       10.6792951979        8.3833968276
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  C         5.8419234072       11.5017965537        6.5328074889
  C         7.3173006277       13.1251209399        7.7099455401
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  F         6.3620057292       14.0757397900        7.4142412456
  F         8.3393848920       13.3442246983        6.8141329481
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  F         7.2924275688        7.1082100709        7.9944052717
  F         6.2980854540        7.7479446593        9.8230080093
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  C         2.6356546597       11.2772757949        3.5316879447
  C         1.6760500790       12.2620045970        3.2914420667
  C         1.2975834725       13.1666101738        4.2841561255
  C         1.9009597571       13.0397261782        5.5333646691
  C         2.8437331403       12.0360686934        5.7835934251
  C         1.1062480304       12.3774810424        1.9191221044
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  F         1.8929707400       13.1548981678        1.0988246073
  F        -0.1572042004       12.9015715103        1.9051990179
  C         6.7992746130        6.3868709664        2.2099758416
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  F         7.4937198477        5.8857983427        3.2963483072
  F         5.7151326508        5.5569846256        2.0524110887
  F         0.7823880930       15.0338863352        6.2361371514
  F         0.9658803404       13.3801338053        7.6968237527
  F         2.7481275377       14.5674022833        7.1179283016
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  H         7.5114132980        8.5521863188        0.7391146224
  H         5.2088818714        7.3427648642        4.1653685272
  H         5.4661058092       11.5052067326        3.1125635477
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  H         0.6070968964        5.9602331530        6.7094973427
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  H         7.9070857651       10.8519895524        9.1825389734
  H         5.5374624437       12.3415448724        5.9105002171
  H         2.9020657606       10.5971631272        2.7247310452
  H         0.5676467019       13.9441764090        4.0867408195
  H         3.2711314513       11.9656239805        6.7830369339
  F         9.9778583462        8.3853619409       18.4800147488
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  F        11.2158746657        9.0220543139       20.1782913102
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  C        11.4355467993       11.0308394649       18.1792819056
  C        11.8873290889       12.0112614819       17.2969534200
  C        12.7675940284       11.6877631767       16.2547532825
  C        13.2366460669       10.3780534720       16.0499929832
  C        12.7487054733        9.3970514307       16.9402652730
  B        14.1579228831        9.9858547381       14.7501898585
  C        15.1709162817       11.1879810217       14.2805195978
  C        15.7667047929       12.0603112619       15.2074390490
  C        16.7063782241       13.0261684282       14.8262128569
  C        17.0965065866       13.1603170660       13.4867589820
  C        16.5222704625       12.2966560733       12.5468201246
  C        15.5866887226       11.3303865967       12.9425001132
  C        16.8477494004       12.4021175366       11.0775009744
  F        17.8549650152       13.2686750457       10.7847174653
  F        15.7485871548       12.8159002880       10.3426471163
  F        17.2339133929       11.1878751782       10.5589324116
  C        17.2391942376       13.9431116264       15.8935433457
  F        16.2464736191       14.6718104195       16.4969169429
  F        18.1494715370       14.8394928574       15.4055434436
  F        17.8381471731       13.2539853629       16.9317299800
  C        13.0558010416        9.6473684574       13.5760032039
  C        12.4624014927       10.6748359603       12.8137014447
  C        11.4866745411       10.4126208636       11.8429157447
  C        11.0607152666        9.1058445507       11.5977533309
  C        11.6038032520        8.0778725936       12.3713504468
  C        12.5735598249        8.3450957361       13.3429196563
  C        11.0269570408        6.7007185545       12.2283513313
  F        10.4964047927        6.4937348403       10.9919844890
  F        11.9225374667        5.6921561877       12.4655522343
  F        10.0073396880        6.4985214285       13.1301968243
  C        10.9095759232       11.5281534777       11.0155728535
  F         9.7369660700       11.1769137743       10.4090677238
  F        10.6297732829       12.6545266680       11.7351682580
  F        11.7564172273       11.8866498317        9.9877684327
  C        15.1797986393        8.7359879783       15.0461549806
  C        15.8220445793        8.5435499062       16.2926336577
  C        16.7652550194        7.5263502564       16.4756589325
  C        17.0786426380        6.6449535169       15.4377704199
  C        16.4684311695        6.8254771749       14.2055744938
  C        15.5549725803        7.8661257705       14.0065483716
  C        17.4498363149        7.2264986860       17.7766545902
  F        17.6073046815        8.3086344144       18.6162054975
  F        16.7866242228        6.2535990625       18.4850536191
  F        18.7040074921        6.7225890261       17.5366926948
  C        11.3924243561       13.4242001524       17.4284424615
  F        10.7865808343       13.6672118475       18.6249389206
  F        10.4808863010       13.7343837500       16.4314636551
  F        12.4021804367       14.3400581989       17.3052592409
  F        17.6308670251        4.8725019028       13.4870089146
  F        17.3761141835        6.5269296503       12.0285933874
  F        15.6560638190        5.2680598875       12.6098240609
  C        16.7855242653        5.8805261527       13.0891959295
  H        10.7500743455       11.2806505769       18.9844854118
  H        13.0929686836       12.4816491207       15.5835731429
  H        13.0487949086        8.3586574247       16.8087742833
  H        15.4879589145       11.9928537000       16.2579926894
  H        17.8082755566       13.9226318958       13.1840841771
  H        15.1651099604       10.6753969654       12.1809417384
  H        12.7639769515       11.7080946547       12.9827842339
  H        10.3060200707        8.8952532941       10.8465693024
  H        12.9597649636        7.5143879087       13.9314384434
  H        15.5860391646        9.2008523656       17.1290082691
  H        17.7825176198        5.8360354082       15.5913893994
  H        15.1213460157        7.9937235437       13.0157721448
  F         2.7260110646       18.6314877185       20.0897600558
  C         2.6914557583       18.2671202614       18.7570971828
  F         1.3600334445       18.0117011463       18.4806316570
  F         3.3566176227       17.0849888532       18.6314091466
  C         3.2712469776       19.3322021364       17.8777935582
  C         4.1349016904       19.0147782813       16.8222711558
  C         4.6559950600       20.0044066228       15.9627957685
  C         4.2321125012       21.3208535407       16.2099356936
  C         3.3727203605       21.6402656859       17.2697756583
  C         2.8876667750       20.6531687791       18.1224365610
  C         2.8988435987       23.0524418359       17.4264147973
  F         2.2973203559       23.2903951267       18.6248738652
  F         3.9128101585       23.9632857122       17.3075841397
  F         1.9892249058       23.3594909605       16.4298242803
  B         5.5912483808       19.6255912458       14.6682406620
  C         6.6182153544       18.3912105341       14.9885298494
  C         7.2270210450       18.2561939378       16.2513743801
  C         8.1986955473       17.2816274296       16.5039159725
  C         8.6021693019       16.3895414551       15.5098480660
  C         8.0139847386       16.5114208634       14.2528912717
  C         7.0531919042       17.4973570749       13.9945432862
  C         8.4119963534       15.5864725854       13.1447579981
  F         7.3127986647       15.0293724467       12.5391134769
  F         9.2152941454       14.5629214564       13.5674259674
  F         9.1134558152       16.2368753673       12.1640479177
  C         8.7682382018       17.1461848541       17.8802511198
  F         8.9096195543       18.3690783244       18.4852295565
  F        10.0085815595       16.5641939772       17.8936046669
  F         7.9609906384       16.3835737480       18.6995990589
  C         6.6091192448       20.8421017641       14.2509386316
  C         7.1882805822       21.6980498829       15.2071498079
  C         8.1216553191       22.6797467043       14.8535266786
  C         8.5320834101       22.8381825280       13.5279016798
  C         7.9876866643       21.9835041723       12.5700681965
  C         7.0499544106       21.0070584983       12.9250024756
  C         8.3842963983       22.1137215000       11.1301543367
  F         8.8227199991       20.9025618935       10.6300922150
  F         9.3750476838       23.0301540698       10.9261945055
  F         7.3277964861       22.5111718336       10.3393992033
  C         8.6672697343       23.5907729232       15.9119414895
  F         9.5904021105       24.4647993264       15.4075880100
  F         7.6911991054       24.3595342487       16.5008411978
  F         9.2711674507       22.8833225236       16.9357365763
  C         4.5193135335       19.2838269583       13.4708798084
  C         4.0246016982       17.9871513805       13.2455682602
  C         3.0497004119       17.7178095618       12.2726711774
  C         2.5245421235       18.7380368849       11.4840431101
  C         2.9876169299       20.0396163457       11.7048208324
  C         3.9537952155       20.3056715600       12.6795515973
  C         2.3886448706       21.1376256660       10.8788423279
  F         2.3730490681       20.7840925979        9.5386206158
  F         1.0828197006       21.4011669024       11.2184419772
  F         3.0421040677       22.3244917998       10.9958081414
  C         2.4916840587       16.3300396035       12.1602091880
  F         1.9329935384       16.0521504126       10.9407266237
  F         3.4360420867       15.3730278391       12.3929543739
  F         1.5200272003       16.1219023996       13.1202055523
  H         4.4051404834       17.9727452942       16.6607700396
  H         4.5762833881       22.1229233647       15.5588754323
  H         2.2226978765       20.9027260325       18.9444666112
  H         6.9431459747       18.9315552179       17.0573968321
  H         9.3429637296       15.6226674436       15.7127448636
  H         6.6374474387       17.5645323995       12.9900832755
  H         6.9056259734       21.6037261414       16.2551813976
  H         9.2454864144       23.6069123431       13.2501906306
  H         6.6542350358       20.3590614668       12.1440124818
  H         4.4011752884       17.1589854199       13.8437481170
  H         1.7713007822       18.5272256349       10.7291185388
  H         4.2751931064       21.3354554964       12.8241900595
  F        15.6885671027        1.2761331229       -0.2890091472
  C        15.7259020914        1.6364004431        1.0438823142
  F        17.0557305082        1.8967379780        1.3192112308
  F        15.0578603851        2.8196411012        1.1700337205
  C        15.1569966929        0.5632572759        1.9266935187
  C        14.2869994577        0.8739051597        2.9790642337
  C        13.7726117617       -0.1164666451        3.8428018032
  C        14.2076124193       -1.4306568410        3.6043496068
  C        15.0733586952       -1.7451433894        2.5489432261
  C        15.5547285832       -0.7568921170        1.6925702600
  C        15.5238052341       -3.1634984682        2.3799265980
  F        16.1182006227       -3.3850427810        1.1748576989
  F        14.4974367241       -4.0573653592        2.4933253250
  F        16.4262543896       -3.5205430541        3.3688735482
  B        12.8269146307        0.2607874290        5.1281532172
  C        11.7914084830        1.4835689383        4.7984188038
  C        11.1989304445        1.6288783775        3.5277344173
  C        10.2079253391        2.5857611956        3.2796650834
  C         9.7708293482        3.4425751190        4.2927379575
  C        10.3418546297        3.3097042843        5.5596197769
  C        11.3263697003        2.3465102664        5.8066631145
  C         9.8977538717        4.2059391035        6.6772439096
  F        10.9546110850        4.8775377142        7.2549592775
  F         8.9824933950        5.1301941258        6.2392063053
  F         9.3003841801        3.5288467936        7.7041901887
  C         9.6443831138        2.7475327810        1.8979467170
  F         9.5017827792        1.5424791138        1.2472604750
  F         8.4076719636        3.3411952889        1.9045067438
  F        10.4552989043        3.5265980195        1.1006337961
  C        11.8081953929       -0.9588238101        5.5449200911
  C        11.2463305235       -1.8275432615        4.5898211250
  C        10.3012728093       -2.8024923924        4.9339621158
  C         9.8632029479       -2.9424891525        6.2557191150
  C        10.3945270960       -2.0772202138        7.2161522142
  C        11.3406473819       -1.1063926678        6.8641772199
  C         9.9860105957       -2.1858485328        8.6592052685
  F         9.5884664646       -0.9736999963        9.1678547157
  F         8.9641171790       -3.0582004652        8.8714356600
  F        11.0212093397       -2.6066729697        9.4607870573
  C         9.7533613579       -3.6949828160        3.8543345999
  F         8.8194115893       -4.5660883633        4.3271354611
  F        10.7195724169       -4.4516902868        3.2297267540
  F         9.1420924193       -2.9674050783        2.8567064612
  C        13.8913024094        0.6185723218        6.3292958836
  C        14.3828003186        1.9179088287        6.5522863185
  C        15.3593158967        2.1898273951        7.5245688859
  C        15.8863761795        1.1709345784        8.3141871487
  C        15.4251554116       -0.1316881273        8.0961108358
  C        14.4584885212       -0.4002066776        7.1228721057
  C        16.0259733149       -1.2291398470        8.9218326783
  F        16.0415324395       -0.8756637437       10.2614766927
  F        17.3314392919       -1.4926110915        8.5814649424
  F        15.3725576253       -2.4163889761        8.8042990180
  C        15.9208057700        3.5770971277        7.6381719650
  F        16.4808646979        3.8554477984        8.8572139712
  F        14.9780108471        4.5358381075        7.4066674513
  F        16.8938937921        3.7862771900        6.6788048230
  H        14.0060257755        1.9140816486        3.1341534342
  H        13.8647389165       -2.2371792206        4.2516944598
  H        16.2248004165       -1.0066812782        0.8745807269
  H        11.5084009167        0.9735089924        2.7142253248
  H         9.0084703093        4.1894209655        4.0969799965
  H        11.7331311367        2.2657425929        6.8140590830
  H        11.5500680735       -1.7473243984        3.5464850150
  H         9.1358816120       -3.7014042103        6.5288548963
  H        11.7193125769       -0.4454658870        7.6431456073
  H        14.0037403126        2.7442094659        5.9523341917
  H        16.6402811372        1.3843476685        9.0678042503
  H        14.1379714622       -1.4302321040        6.9789805343
  H        11.0479399960        7.6348758468        3.5363825343
  H        11.7341654914        8.0479366163        5.7843575194
  H        11.2323689819        9.9920590813        3.3310028434
  H        12.4920891235       11.4827528397        4.9546462475
     648
 i =      20, E =    -4477.5208870588
 Rh         3.6582466061        0.2159187562        4.8535137773
  P         5.4022657835        0.6553360464        6.3045750157
  C         5.2340281384       -0.3213382066        7.8707669061
  C         4.8407372203       -1.7883944431        7.6054636817
  C         4.5186148480       -2.4996538730        8.9292753807
  C         5.6978933628       -2.4258471204        9.9087359164
  C         6.1619678157       -0.9780173301       10.1303208370
  C         6.4503033499       -0.2461357548        8.8061443703
  C         5.6555053360        2.4286793984        6.8174879044
  C         4.6570550532        2.8404333897        7.9198514264
  C         4.7050821291        4.3478274849        8.2123635619
  C         4.4837778245        5.1663321461        6.9381408801
  C         5.5427603212        4.8227149119        5.8882052483
  C         5.5371550907        3.3223417832        5.5613695801
  C         7.0196205615        0.1435165604        5.5251956367
  C         6.9742656897        0.2671308576        3.9916231041
  P         5.3165928310       -0.2517249633        3.3139303445
  C         5.5225885431       -2.0327986857        2.8180537278
  C         4.3864133628       -2.4473971237        1.8598881385
  C         4.3453751163       -3.9604266840        1.6144384575
  C         4.3031040958       -4.7533955828        2.9228748680
  C         5.5254369409       -4.4145539107        3.7798672347
  C         5.5698331821       -2.9103932286        4.0892302136
  C         5.0713921587        0.6801551239        1.7303365974
  C         4.7537258898        2.1684546324        1.9740894338
  C         4.3597006468        2.8481123777        0.6528518170
  C         5.4651054035        2.6989220991       -0.4028902969
  C         5.8317837879        1.2223484678       -0.6208899265
  C         6.2001382847        0.5164247334        0.6983734275
  C         1.9024905855        0.2570756373        3.4949933313
  C         1.8899868158       -0.9492094138        4.2000060173
  C         1.0622359363       -0.7076111018        5.4770691159
  C         1.9617390170        0.2485346099        6.2902004006
  C         1.9769134714        1.4559140861        5.5876040242
  C         1.0856979013        1.2557921348        4.3446800460
  C         0.0124837291        0.2978642856        4.9312223532
  H         4.3782086265        0.1619495105        8.3711780211
  H         5.6689874867       -2.3097792671        7.1022991196
  H         3.9801706102       -1.8316774298        6.9197780594
  H         4.2460187159       -3.5465815295        8.7359154175
  H         3.6321489350       -2.0284552825        9.3788207203
  H         5.4181693772       -2.8825983372       10.8693562388
  H         6.5336851442       -3.0231319632        9.5186457046
  H         7.0656901735       -0.9571086166       10.7575130116
  H         5.3788292476       -0.4297001761       10.6773585811
  H         6.7334329165        0.7955260378        9.0067157827
  H         7.3129248880       -0.7119738958        8.3123042901
  H         6.6772284073        2.5102598550        7.2226391562
  H         4.8638818668        2.2806061030        8.8416018835
  H         3.6353772744        2.5682469866        7.6184367225
  H         5.6812825316        4.6090032446        8.6460918193
  H         3.9495478175        4.5946058643        8.9715343822
  H         4.4974844858        6.2404106926        7.1694010177
  H         3.4829262578        4.9577326670        6.5325189982
  H         6.5333931118        5.1252443605        6.2537130566
  H         5.3659658299        5.3803475907        4.9579836640
  H         6.3502614294        3.0925021637        4.8570404379
  H         4.6002999710        3.0693243027        5.0387040350
  H         7.8476179757        0.7303292903        5.9484880379
  H         7.1884984609       -0.9017389551        5.8204241848
  H         7.7774394803       -0.3171146921        3.5197232576
  H         7.1185571969        1.3131737332        3.6866542655
  H         6.4858287247       -2.1224190477        2.2903474988
  H         4.4963099795       -1.9254146201        0.8992929534
  H         3.4192529252       -2.1256778297        2.2701060481
  H         5.2365520107       -4.2588454976        1.0439852372
  H         3.4759920432       -4.1969463304        0.9872184265
  H         4.2566334141       -5.8296897076        2.7074617036
  H         3.3825957683       -4.5173136317        3.4779305163
  H         5.5145205607       -4.9706256843        4.7287456588
  H         6.4405885176       -4.7160513539        3.2504246479
  H         6.4734692805       -2.6767063513        4.6704585990
  H         4.7114371915       -2.6499994322        4.7291534188
  H         4.1597192390        0.2177767888        1.3158144083
  H         5.6348398846        2.6752082393        2.3953277470
  H         3.9499920101        2.2646994024        2.7204200998
  H         4.1353304383        3.9089699606        0.8310053080
  H         3.4294505849        2.3940482893        0.2792579334
  H         6.3570354271        3.2542200043       -0.0768523040
  H         5.1478681151        3.1548053920       -1.3521099798
  H         6.6713562160        1.1358092355       -1.3264705534
  H         4.9762851233        0.7016303079       -1.0805790634
  H         7.1263426261        0.9506135355        1.0975308450
  H         6.4069439150       -0.5450966086        0.5092332919
  H         2.1414514029        0.3980395500        2.4448264095
  H         2.1354439290       -1.9371817294        3.8207827949
  H         0.7138438098       -1.6015259973        5.9993783602
  H         2.2425401316        0.0918102862        7.3275935981
  H         2.2832153764        2.4292735932        5.9607900068
  H         0.7577552399        2.1667612717        3.8377627416
  H        -0.5885190858        0.7610549547        5.7196016171
  H        -0.6363183230       -0.1386093731        4.1646821106
 Rh        14.7467920393       19.6420803451       14.9386247691
  P        13.0082007465       19.2153490383       13.4758545512
  C        13.1773075842       20.2111024791       11.9196245257
  C        13.5453947154       21.6818140065       12.1988168297
  C        13.8491225228       22.4152130764       10.8818960085
  C        12.6691398026       22.3294571343        9.9040687122
  C        12.2391908029       20.8746807937        9.6636814324
  C        11.9660956740       20.1215348970       10.9785253453
  C        12.7313231993       17.4585321825       12.9182950443
  C        13.7710658005       17.0356424378       11.8594038321
  C        13.6742972667       15.5424094497       11.5073349804
  C        13.7513626516       14.6603023673       12.7568604109
  C        12.6472128751       15.0407090916       13.7477757589
  C        12.7466700698       16.5215871868       14.1460472936
  C        11.3896261052       19.7284872587       14.2546817799
  C        11.4291482400       19.6033039031       15.7881415161
  P        13.0864402687       20.1116005517       16.4735368985
  C        12.8810289192       21.8835083606       17.0032609726
  C        14.0043815171       22.2811120123       17.9840533574
  C        14.0235580447       23.7868221408       18.2766783944
  C        14.0761643900       24.6142680232       16.9897862323
  C        12.8700747563       24.2870009276       16.1049050612
  C        12.8444141465       22.7912882500       15.7532049140
  C        13.3335913836       19.1520793788       18.0393438530
  C        13.6191020689       17.6637611823       17.7607047663
  C        14.0154847135       16.9444590603       19.0596280330
  C        12.9368626374       17.1034978126       20.1419831459
  C        12.6071559045       18.5840463569       20.3921930094
  C        12.2247758085       19.3168672441       19.0920065453
  C        16.4972362826       19.6097093341       16.3032480293
  C        16.4963121812       20.8224930858       15.6088162602
  C        17.3332423143       20.6028921780       14.3334094821
  C        16.4509519654       19.6407775743       13.5084252923
  C        16.4485671587       18.4281307253       14.2009128520
  C        17.3317090783       18.6297839717       15.4492189343
  C        18.3946869541       19.6076329514       14.8765327057
  H        14.0431117530       19.7452812684       11.4199100572
  H        12.7101093624       22.1827446662       12.7109473046
  H        14.4074908270       21.7329131266       12.8819068732
  H        14.1001798649       23.4649716320       11.0876938678
  H        14.7441368667       21.9684732289       10.4241945978
  H        12.9349538530       22.8063836944        8.9489657436
  H        11.8202302700       22.9007395444       10.3049008744
  H        11.3355734279       20.8409665800        9.0370497345
  H        13.0346506896       20.3508971418        9.1104640291
  H        11.7089247395       19.0763426715       10.7635860190
  H        11.0901562590       20.5606815756       11.4739769572
  H        11.7293019601       17.4232012203       12.4600370710
  H        13.6431359198       17.6331236816       10.9470690216
  H        14.7839980590       17.2520558604       12.2279069514
  H        12.7249119714       15.3480666419       10.9887876153
  H        14.4751921233       15.2868196936       10.7988097436
  H        13.6747791094       13.6013807704       12.4717551656
  H        14.7343623662       14.7733177864       13.2377316099
  H        11.6658055795       14.8409980966       13.2961707208
  H        12.7036818124       14.4256088197       14.6564435797
  H        11.9242528504       16.7792461793       14.8297428981
  H        13.6791712760       16.6884460978       14.7091918099
  H        10.5616844998       19.1435269677       13.8286052778
  H        11.2230683077       20.7744686340       13.9604023602
  H        10.6268850814       20.1905006049       16.2578602784
  H        11.2789943740       18.5576046906       16.0913259649
  H        11.9119530510       21.9593884749       17.5227414887
  H        13.8945287339       21.7273419611       18.9264977826
  H        14.9792572765       21.9862540137       17.5719803267
  H        13.1223121994       24.0596350617       18.8443332167
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 Rh        12.5647596760        9.9811532595        4.7263322022
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  C        12.7477989113        9.3969126344       16.9398211118
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  C        15.7658982536       12.0601327826       15.2072112385
  C        16.7059365377       13.0258556217       14.8262130173
  C        17.0962714772       13.1597815034       13.4867779460
  C        16.5220400999       12.2961687531       12.5468025821
  C        15.5865009034       11.3297205934       12.9423647896
  C        16.8476715877       12.4019384350       11.0774829283
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  F        15.7486066120       12.8158685235       10.3426799200
  F        17.2339267032       11.1878296187       10.5589032344
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  F        18.1493788740       14.8393824282       15.4055261416
  F        17.8381035602       13.2539487662       16.9317283864
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  C        12.5734007542        8.3437959100       13.3406422058
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  F        11.9226780957        5.6917792462       12.4655429378
  F        10.0075190881        6.4984767518       13.1299722733
  C        10.9092191210       11.5278035563       11.0154036773
  F         9.7365248404       11.1769033429       10.4089475188
  F        10.6297824083       12.6543048153       11.7351629745
  F        11.7560564086       11.8866013680        9.9876586010
  C        15.1786956969        8.7350379591       15.0473083892
  C        15.8198010112        8.5419232525       16.2943472268
  C        16.7625183126        7.5242724895       16.4777395273
  C        17.0763611847        6.6431001510       15.4396918602
  C        16.4677944574        6.8246923218       14.2067462639
  C        15.5548128684        7.8656940651       14.0076329850
  C        17.4489307650        7.2258663173       17.7780551642
  F        17.6073028180        8.3088244736       18.6164311464
  F        16.7866119948        6.2535441209       18.4870760258
  F        18.7033593208        6.7225357744       17.5368098134
  C        11.3923449871       13.4242167617       17.4283919219
  F        10.7865741338       13.6672154280       18.6249454588
  F        10.4808587490       13.7344110785       16.4314471886
  F        12.4021642269       14.3400245675       17.3052637196
  F        17.6308811775        4.8724557746       13.4870862681
  F        17.3760397264        6.5269652438       12.0288926766
  F        15.6560839457        5.2680795325       12.6098251294
  C        16.7854234351        5.8804812226       13.0895904850
  H        10.7498385631       11.2807773142       18.9844614967
  H        13.0920517995       12.4814338777       15.5829666142
  H        13.0476934041        8.3584838954       16.8083245027
  H        15.4865775240       11.9931781279       16.2576395062
  H        17.8082177331       13.9219032793       13.1839781757
  H        15.1652086900       10.6745237510       12.1808000475
  H        12.7620030154       11.7070132842       12.9832867539
  H        10.3063398910        8.8945775195       10.8436097880
  H        12.9596194533        7.5128345763       13.9286925397
  H        15.5837387053        9.1996309093       17.1304296295
  H        17.7802363111        5.8342155786       15.5934405397
  H        15.1222484575        7.9940817631       13.0165284395
  F         2.7260408365       18.6314900433       20.0897951735
  C         2.6918428068       18.2671659542       18.7571274834
  F         1.3603114722       18.0117981118       18.4805892207
  F         3.3566688310       17.0849026977       18.6314337089
  C         3.2724304787       19.3321138741       17.8780112366
  C         4.1359133356       19.0145021627       16.8223497023
  C         4.6567317897       20.0043302642       15.9629239769
  C         4.2324408336       21.3207686846       16.2098314816
  C         3.3729197584       21.6404735769       17.2695337365
  C         2.8891446713       20.6531915014       18.1228037841
  C         2.8989308838       23.0528098143       17.4263004655
  F         2.2973617148       23.2904155153       18.6248466842
  F         3.9130063084       23.9634266037       17.3076391670
  F         1.9893109227       23.3603157686       16.4298732902
  B         5.5916980480       19.6256721775       14.6680240358
  C         6.6186957076       18.3913868784       14.9882130977
  C         7.2273676353       18.2563989665       16.2511044954
  C         8.1986859199       17.2815620316       16.5039048781
  C         8.6018710518       16.3891617056       15.5100084621
  C         8.0140861983       16.5112850631       14.2529011997
  C         7.0536764396       17.4975229468       13.9942710930
  C         8.4120414419       15.5864009435       13.1447519882
  F         7.3127975691       15.0293574767       12.5391051617
  F         9.2153113396       14.5628725995       13.5674201419
  F         9.1134588762       16.2368639672       12.1640503365
  C         8.7682078347       17.1461917321       17.8802490179
  F         8.9096109436       18.3690692835       18.4852181691
  F        10.0085708464       16.5641930937       17.8936029203
  F         7.9609843430       16.3835648017       18.6996058790
  C         6.6094554408       20.8421919004       14.2507461466
  C         7.1887982993       21.6979074570       15.2070290908
  C         8.1219524747       22.6797994369       14.8534396887
  C         8.5323527158       22.8384182133       13.5278318943
  C         7.9878791671       21.9838199933       12.5699815336
  C         7.0500566205       21.0074451681       12.9247917383
  C         8.3843726686       22.1138642649       11.1300728755
  F         8.8227235694       20.9026341646       10.6300919602
  F         9.3750919778       23.0302096768       10.9261553100
  F         7.3277932031       22.5111922472       10.3393848916
  C         8.6673574689       23.5907886953       15.9119283982
  F         9.5904375419       24.4648349990       15.4076055821
  F         7.6912129479       24.3595198156       16.5008245910
  F         9.2711790818       22.8833280458       16.9357487710
  C         4.5196290877       19.2839053969       13.4706766025
  C         4.0251850054       17.9871593118       13.2450642942
  C         3.0498432057       17.7178420908       12.2725769506
  C         2.5244269076       18.7381174280       11.4841909891
  C         2.9875727806       20.0396792219       11.7048894379
  C         3.9537755095       20.3057902297       12.6796069905
  C         2.3886027102       21.1376544718       10.8788649817
  F         2.3730502138       20.7840926649        9.5386399485
  F         1.0828018495       21.4011758134       11.2184468302
  F         3.0421012274       22.3245044349       10.9958103275
  C         2.4917259522       16.3300777394       12.1602050871
  F         1.9330018875       16.0521585239       10.9407400857
  F         3.4360547385       15.3730223600       12.3929562776
  F         1.5200517644       16.1219175686       13.1201967014
  H         4.4063010373       17.9724842354       16.6605320002
  H         4.5767117512       22.1225022169       15.5584314635
  H         2.2253180114       20.9021574363       18.9458833047
  H         6.9435710476       18.9319836912       17.0569400259
  H         9.3422095387       15.6219067554       15.7131664151
  H         6.6382568470       17.5648539586       12.9896735912
  H         6.9064763703       21.6032702466       16.2551079747
  H         9.2457662523       23.6071753937       13.2501921921
  H         6.6541670672       20.3597994726       12.1435856909
  H         4.4023817353       17.1589004711       13.8426997376
  H         1.7709653381       18.5274200172       10.7294468058
  H         4.2748802219       21.3356596396       12.8244059935
  F        15.6885724069        1.2761389434       -0.2890198485
  C        15.7258615645        1.6363516679        1.0438584110
  F        17.0557104426        1.8967307264        1.3192111494
  F        15.0578610132        2.8196460125        1.1700292805
  C        15.1568699093        0.5631844954        1.9265951884
  C        14.2869839137        0.8737652302        2.9790678665
  C        13.7722061572       -0.1166366268        3.8425983909
  C        14.2069322119       -1.4308193667        3.6036785270
  C        15.0730477894       -1.7452127942        2.5485627815
  C        15.5545629110       -0.7569563831        1.6922621261
  C        15.5237466883       -3.1635102740        2.3797778282
  F        16.1182234232       -3.3850593283        1.1747795753
  F        14.4974480336       -4.0573794177        2.4932575209
  F        16.4262637205       -3.5204745338        3.3687528658
  B        12.8267284078        0.2607590755        5.1282436432
  C        11.7914604287        1.4836965153        4.7984909154
  C        11.1991153409        1.6290246896        3.5277773337
  C        10.2079009802        2.5857182087        3.2797660056
  C         9.7707520828        3.4424170426        4.2929130764
  C        10.3419599767        3.3097984530        5.5597202312
  C        11.3263850730        2.3465687665        5.8067595738
  C         9.8981792903        4.2063929780        6.6773133381
  F        10.9545972253        4.8775999712        7.2548691586
  F         8.9823415815        5.1298891670        6.2391796589
  F         9.3004161734        3.5288500168        7.7042059815
  C         9.6443695604        2.7475125027        1.8980644803
  F         9.5017836133        1.5424805342        1.2472692686
  F         8.4076676236        3.3411937209        1.9045147236
  F        10.4552822377        3.5265775317        1.1006485510
  C        11.8073543698       -0.9580474763        5.5456182718
  C        11.2460420798       -1.8276019379        4.5909980438
  C        10.3001279769       -2.8017232581        4.9349347486
  C         9.8609004338       -2.9399890455        6.2565859402
  C        10.3924832946       -2.0745578520        7.2168659756
  C        11.3389253224       -1.1040431589        6.8647638948
  C         9.9854062081       -2.1848676012        8.6600877335
  F         9.5883460988       -0.9733463386        9.1691881488
  F         8.9640458351       -3.0580822502        8.8716144221
  F        11.0211849449       -2.6066512866        9.4607081706
  C         9.7532524247       -3.6947352793        3.8548019929
  F         8.8193423823       -4.5661221309        4.3272283201
  F        10.7194888183       -4.4514286038        3.2300138884
  F         9.1420955948       -2.9673892421        2.8568230139
  C        13.8912400100        0.6183051417        6.3293590650
  C        14.3827206060        1.9176573186        6.5523010450
  C        15.3592985021        2.1897000152        7.5245001458
  C        15.8863866216        1.1708176132        8.3141079044
  C        15.4250488263       -0.1317972415        8.0961736288
  C        14.4582836516       -0.4004479752        7.1230618135
  C        16.0259082433       -1.2292035999        8.9218745563
  F        16.0415289606       -0.8756807197       10.2615024233
  F        17.3314231712       -1.4926171176        8.5814707022
  F        15.3725304567       -2.4164466641        8.8042895668
  C        15.9207438982        3.5770323934        7.6381441890
  F        16.4808610638        3.8554113842        8.8571826419
  F        14.9780704609        4.5357158336        7.4066288391
  F        16.8939121069        3.7862606644        6.6787841266
  H        14.0063844607        1.9139864588        3.1344033112
  H        13.8636234564       -2.2375180985        4.2505369121
  H        16.2245873466       -1.0067505869        0.8742416032
  H        11.5088068892        0.9738224160        2.7142400969
  H         9.0082773623        4.1891893456        4.0972467606
  H        11.7329555734        2.2657339464        6.8142189566
  H        11.5507848875       -1.7487920594        3.5478961328
  H         9.1330472127       -3.6982998076        6.5300997907
  H        11.7177527436       -0.4427445198        7.6433836164
  H        14.0034494574        2.7438873082        5.9524188835
  H        16.6403763399        1.3842611865        9.0676627664
  H        14.1377910404       -1.4305486064        6.9795311470
  H        11.1028537273        7.6053641622        3.6307598151
  H        11.6886827892        8.0612167862        5.8941406193
  H        11.2583180232        9.9563937492        3.3104886642
  H        12.3498162803       11.4358524099        5.1403709160
     648
 i =      20, E =    -4477.5176983070
 Rh         3.6578955807        0.2160122895        4.8539178969
  P         5.4025115790        0.6560893786        6.3049026064
  C         5.2348173028       -0.3210302437        7.8709526316
  C         4.8409368070       -1.7879048144        7.6054290722
  C         4.5186201224       -2.4993354391        8.9291114642
  C         5.6978405104       -2.4258727448        9.9086630614
  C         6.1621958633       -0.9781801570       10.1305208222
  C         6.4511524280       -0.2462434153        8.8064888419
  C         5.6561165564        2.4294131022        6.8183185696
  C         4.6571816917        2.8410336849        7.9202506565
  C         4.7047297194        4.3484412515        8.2129743514
  C         4.4837720097        5.1669796588        6.9386992355
  C         5.5430437732        4.8235409317        5.8889841186
  C         5.5376746414        3.3230951918        5.5622730247
  C         7.0196821331        0.1441124974        5.5253215710
  C         6.9744056762        0.2676215529        3.9917722459
  P         5.3167686725       -0.2514936642        3.3139515934
  C         5.5228385893       -2.0327102122        2.8179072679
  C         4.3865756093       -2.4472191603        1.8597744132
  C         4.3451394301       -3.9602797837        1.6143741862
  C         4.3026043080       -4.7531458992        2.9228630217
  C         5.5249388019       -4.4144902852        3.7799398052
  C         5.5697110627       -2.9102722119        4.0890942726
  C         5.0719594323        0.6803666937        1.7301465819
  C         4.7537683161        2.1685086141        1.9741251598
  C         4.3597513707        2.8483412865        0.6529796543
  C         5.4652989137        2.6997437154       -0.4026856991
  C         5.8324023725        1.2233234370       -0.6209976568
  C         6.2008748258        0.5171742214        0.6981827038
  C         1.9018635122        0.2559778081        3.4954275184
  C         1.8895881141       -0.9499892385        4.2009742406
  C         1.0612733698       -0.7081991933        5.4775477279
  C         1.9606340906        0.2482136967        6.2904170903
  C         1.9755400754        1.4554846883        5.5876552900
  C         1.0845876780        1.2548314280        4.3445531710
  C         0.0114045370        0.2968097022        4.9310121413
  H         4.3791946307        0.1623197238        8.3716816156
  H         5.6689521814       -2.3094503915        7.1020578645
  H         3.9802855596       -1.8307363473        6.9198086932
  H         4.2458068925       -3.5461756557        8.7355574897
  H         3.6322039672       -2.0280897826        9.3787136424
  H         5.4179699627       -2.8827192006       10.8691947216
  H         6.5336115792       -3.0231969742        9.5185988763
  H         7.0657731303       -0.9575214759       10.7578682733
  H         5.3789886550       -0.4297229143       10.6773166548
  H         6.7343535452        0.7953494951        9.0072611604
  H         7.3141220560       -0.7121776614        8.3129282760
  H         6.6777560270        2.5111923509        7.2237032358
  H         4.8634511104        2.2811850766        8.8421116353
  H         3.6357638642        2.5687436974        7.6180128731
  H         5.6806848440        4.6097656924        8.6472733110
  H         3.9486977451        4.5949182718        8.9717530738
  H         4.4969270324        6.2411601781        7.1699816634
  H         3.4830001565        4.9583283200        6.5328559205
  H         6.5335152779        5.1265275890        6.2546680855
  H         5.3660970428        5.3809257131        4.9586300913
  H         6.3507115709        3.0933567396        4.8578389059
  H         4.6007206389        3.0698194581        5.0398812193
  H         7.8479777343        0.7305612768        5.9485873754
  H         7.1881817751       -0.9012110201        5.8204998861
  H         7.7778092590       -0.3165265874        3.5201319255
  H         7.1186953093        1.3136406159        3.6866934129
  H         6.4860986090       -2.1225735307        2.2902476288
  H         4.4965099479       -1.9253485671        0.8991267690
  H         3.4195312629       -2.1252882187        2.2701146179
  H         5.2361918122       -4.2590221376        1.0438898411
  H         3.4756679850       -4.1966128643        0.9871928272
  H         4.2558348780       -5.8294587887        2.7075672458
  H         3.3821149495       -4.5167722418        3.4778173181
  H         5.5137009286       -4.9704190409        4.7289134860
  H         6.4400721249       -4.7163059256        3.2506303597
  H         6.4733072210       -2.6767422848        4.6704326556
  H         4.7112525218       -2.6495405266        4.7287871926
  H         4.1605027624        0.2178391590        1.3153325586
  H         5.6345873514        2.6754666600        2.3957416333
  H         3.9497834472        2.2641751545        2.7202634669
  H         4.1350400664        3.9090936805        0.8313399871
  H         3.4296574751        2.3941263890        0.2791647805
  H         6.3570660508        3.2551677208       -0.0764331378
  H         5.1479957530        3.1557961505       -1.3517898544
  H         6.6720654758        1.1372462449       -1.3265445778
  H         4.9771217439        0.7024661910       -1.0809637305
  H         7.1269682664        0.9515791410        1.0973453315
  H         6.4080600530       -0.5442237092        0.5087534531
  H         2.1402990218        0.3962718088        2.4450457519
  H         2.1355709967       -1.9380761295        3.8224313417
  H         0.7126866925       -1.6019474642        5.9999879498
  H         2.2411497360        0.0916867961        7.3279022020
  H         2.2805512092        2.4291048778        5.9612612687
  H         0.7564175487        2.1655308551        3.8372620919
  H        -0.5904719352        0.7599737263        5.7187584588
  H        -0.6368528618       -0.1401944602        4.1643044276
 Rh        14.7469278715       19.6429130073       14.9391257129
  P        13.0081881115       19.2161314313       13.4763907304
  C        13.1774772076       20.2120642579       11.9203258794
  C        13.5454554006       21.6826830321       12.1994450620
  C        13.8490073350       22.4159111563       10.8823718468
  C        12.6689793741       22.3301095428        9.9045918517
  C        12.2390339959       20.8753491717        9.6644344989
  C        11.9663319105       20.1224408220       10.9794661346
  C        12.7309450944       17.4593260631       12.9188494770
  C        13.7707215727       17.0362959796       11.8600796949
  C        13.6741831407       15.5430241978       11.5081898126
  C        13.7511451613       14.6609519097       12.7577351047
  C        12.6467642005       15.0414281474       13.7483646343
  C        12.7461154248       16.5223358355       14.1465773500
  C        11.3897282030       19.7292588913       14.2553457122
  C        11.4292579220       19.6039021707       15.7887773125
  P        13.0865554782       20.1118672302       16.4743276880
  C        12.8809280414       21.8835635047       17.0045633723
  C        14.0043230023       22.2810268699       17.9853382949
  C        14.0233159266       23.7865957759       18.2785582695
  C        14.0754448875       24.6144165050       16.9919618782
  C        12.8694259939       24.2872685701       16.1070019288
  C        12.8440862841       22.7916933994       15.7547752095
  C        13.3334650216       19.1519434894       18.0399535539
  C        13.6186333776       17.6635938639       17.7611024781
  C        14.0147066268       16.9439788733       19.0599577166
  C        12.9361012645       17.1031812737       20.1423029012
  C        12.6067347185       18.5837707667       20.3926640586
  C        12.2245632404       19.3167944293       19.0925336630
  C        16.4972729724       19.6094363593       16.3038343392
  C        16.4969317588       20.8224970054       15.6098768716
  C        17.3338445875       20.6030187597       14.3344262547
  C        16.4512482941       19.6416072528       13.5089650071
  C        16.4482557142       18.4286842179       14.2010049831
  C        17.3313287896       18.6294522929       15.4494772004
  C        18.3948009984       19.6070201409       14.8772411957
  H        14.0431173386       19.7461010892       11.4204449871
  H        12.7099963851       22.1834498111       12.7114473416
  H        14.4075222394       21.7339770903       12.8825380150
  H        14.1001080969       23.4656725369       11.0880303736
  H        14.7439813086       21.9690972186       10.4246636119
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 Rh        12.5923413430        9.9808473237        4.7067519283
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  C        12.7661018661       11.6869921487       16.2534250553
  C        13.2337002450       10.3768009798       16.0478596794
  C        12.7466022890        9.3965748137       16.9393489255
  B        14.1549852337        9.9810495549       14.7489588502
  C        15.1688102323       11.1855012172       14.2796105731
  C        15.7644583965       12.0590103920       15.2066289522
  C        16.7050201063       13.0249336877       14.8261870354
  C        17.0958173047       13.1590301393       13.4868461976
  C        16.5215780465       12.2955865378       12.5467843034
  C        15.5859087875       11.3287880358       12.9419531907
  C        16.8475086784       12.4017439458       11.0774522667
  F        17.8548508515       13.2685855122       10.7848546522
  F        15.7486116044       12.8158475209       10.3426984094
  F        17.2339387615       11.1877907680       10.5588804435
  C        17.2385922402       13.9425194314       15.8934300980
  F        16.2463812145       14.6716820588       16.4969531599
  F        18.1491766311       14.8391242118       15.4054857332
  F        17.8380448444       13.2538827498       16.9317177935
  C        13.0517410538        9.6377736284       13.5706365027
  C        12.4577912717       10.6668552620       12.8105680241
  C        11.4831790659       10.4056310578       11.8383707904
  C        11.0581532399        9.0981845071       11.5859002443
  C        11.6021552846        8.0666071044       12.3535608950
  C        12.5702371754        8.3356322973       13.3299415297
  C        11.0262892799        6.6842648896       12.2204230889
  F        10.4954490290        6.4298134355       10.9926895331
  F        11.9275364489        5.6881431542       12.4687333806
  F        10.0084983853        6.4982045573       13.1296761395
  C        10.9081452504       11.5258253409       11.0149318426
  F         9.7351359202       11.1769080542       10.4084711783
  F        10.6300751560       12.6530858496       11.7351924127
  F        11.7556110881       11.8861968904        9.9878244105
  C        15.1780269766        8.7315429421       15.0530685704
  C        15.8123882061        8.5326620083       16.3037896558
  C        16.7467629247        7.5067154719       16.4954171413
  C        17.0683327126        6.6345969372       15.4503449045
  C        16.4680424542        6.8222879688       14.2128827217
  C        15.5563937143        7.8640255798       14.0128276832
  C        17.4418603423        7.2185398930       17.7991551772
  F        17.6088622892        8.3134635893       18.6185320056
  F        16.7935815546        6.2606745595       18.5505610570
  F        18.6978630526        6.7219458056       17.5407538537
  C        11.3924161840       13.4241550332       17.4283336817
  F        10.7865910697       13.6671894175       18.6249132589
  F        10.4808623416       13.7344113106       16.4314346384
  F        12.4021690879       14.3399971449       17.3052602025
  F        17.6311105436        4.8722323516       13.4872020819
  F        17.3760776506        6.5274022505       12.0297670909
  F        15.6565790442        5.2685284329       12.6101953003
  C        16.7863222178        5.8809440176       13.0913740403
  H        10.7498063020       11.2809404350       18.9844472542
  H        13.0914137393       12.4810363220       15.5823579413
  H        13.0464921565        8.3581841634       16.8080449012
  H        15.4851161116       11.9929246369       16.2571285742
  H        17.8080146108       13.9210300710       13.1840770107
  H        15.1652439192       10.6735920089       12.1800791614
  H        12.7578984281       11.7004510120       12.9826578459
  H        10.3024790928        8.8919888273       10.8342931226
  H        12.9560912024        7.5065063336       13.9205512920
  H        15.5790096581        9.1961882349       17.1359304336
  H        17.7762646691        5.8289104558       15.5987919409
  H        15.1256121998        7.9937682850       13.0209363061
  F         2.7261046440       18.6316843956       20.0899854058
  C         2.6924746210       18.2685709427       18.7572928401
  F         1.3609600744       18.0121311958       18.4805024260
  F         3.3567840616       17.0855820530       18.6312690729
  C         3.2734788916       19.3349675139       17.8780751622
  C         4.1366005189       19.0154192999       16.8224405490
  C         4.6570735659       20.0057783033       15.9636399660
  C         4.2291870962       21.3225445985       16.2073764653
  C         3.3615625080       21.6463332528       17.2600767493
  C         2.8872385187       20.6568765483       18.1193980751
  C         2.8951894261       23.0658595765       17.4219250312
  F         2.2975060301       23.2908810481       18.6250489673
  F         3.9184114579       23.9648406412       17.3098197397
  F         1.9919946250       23.4223967063       16.4330297082
  B         5.5921759527       19.6261397497       14.6683002334
  C         6.6190953998       18.3915643000       14.9879728158
  C         7.2277090691       18.2564966112       16.2508520258
  C         8.1987344303       17.2814704856       16.5038752593
  C         8.6017000599       16.3888218461       15.5101098347
  C         8.0141907668       16.5111895407       14.2528731184
  C         7.0541109004       17.4976708419       13.9940165746
  C         8.4121366116       15.5863456881       13.1447234070
  F         7.3128030861       15.0293411743       12.5390984246
  F         9.2153340313       14.5628163386       13.5674128342
  F         9.1134626014       16.2368470321       12.1640599585
  C         8.7682372779       17.1461780618       17.8802419694
  F         8.9096043766       18.3690559224       18.4851994783
  F        10.0085752677       16.5641861413       17.8936076316
  F         7.9609763695       16.3835538244       18.6996103680
  C         6.6098399819       20.8422557779       14.2505945817
  C         7.1892334333       21.6978248348       15.2069230662
  C         8.1221995690       22.6798499983       14.8533577151
  C         8.5325593469       22.8385670599       13.5277402006
  C         7.9880294276       21.9839825894       12.5698925117
  C         7.0502126978       21.0076671797       12.9246229939
  C         8.3845513998       22.1138637720       11.1299879719
  F         8.8226958580       20.9025396150       10.6301129865
  F         9.3750426827       23.0300996021       10.9261344590
  F         7.3277732049       22.5111897594       10.3393667185
  C         8.6674532961       23.5908266956       15.9119111106
  F         9.5904698259       24.4648713971       15.4076159477
  F         7.6912191295       24.3595089221       16.5008116548
  F         9.2711864271       22.8833308991       16.9357555167
  C         4.5197935373       19.2840770546       13.4708102208
  C         4.0256876884       17.9872333704       13.2447651927
  C         3.0499862819       17.7178834398       12.2725579234
  C         2.5243331936       18.7381868503       11.4843506063
  C         2.9876082438       20.0397241819       11.7049573282
  C         3.9537760736       20.3058768901       12.6797121714
  C         2.3885731448       21.1376696339       10.8788850084
  F         2.3730583030       20.7840889738        9.5386505732
  F         1.0828149153       21.4011753728       11.2184518436
  F         3.0421074719       22.3245176783       10.9958064591
  C         2.4917416710       16.3300968983       12.1602301948
  F         1.9330091766       16.0521730894       10.9407609982
  F         3.4360702056       15.3730192793       12.3929588127
  F         1.5200713129       16.1219243311       13.1202014983
  H         4.4068715846       17.9729626834       16.6603123062
  H         4.5778859003       22.1224891337       15.5566488607
  H         2.2272355560       20.9020808381       18.9466557642
  H         6.9439410572       18.9322991419       17.0565014997
  H         9.3416824056       15.6212968279       15.7134912552
  H         6.6390184908       17.5650743017       12.9892778308
  H         6.9071643776       21.6029476137       16.2550549636
  H         9.2458844328       23.6074243996       13.2501365104
  H         6.6542633600       20.3602548516       12.1432645784
  H         4.4034094251       17.1588267011       13.8418586341
  H         1.7706275219       18.5275819461       10.7298026854
  H         4.2745925854       21.3358115310       12.8246255743
  F        15.6885611761        1.2761338674       -0.2890126050
  C        15.7257112143        1.6363961202        1.0439092494
  F        17.0556578405        1.8967002136        1.3192223894
  F        15.0578479170        2.8196477224        1.1700325492
  C        15.1565760924        0.5630729059        1.9265672777
  C        14.2866781919        0.8734485399        2.9792107603
  C        13.7714820830       -0.1171107203        3.8426234216
  C        14.2061368166       -1.4311613123        3.6031619242
  C        15.0727103089       -1.7452914930        2.5482696244
  C        15.5542742817       -0.7570399162        1.6920523154
  C        15.5236792170       -3.1634983108        2.3797185810
  F        16.1182385755       -3.3850390284        1.1747210959
  F        14.4974930808       -4.0573821080        2.4931827045
  F        16.4262745154       -3.5204140695        3.3686544396
  B        12.8266637409        0.2608121971        5.1290612339
  C        11.7915344091        1.4837997359        4.7986478464
  C        11.1992978605        1.6290287590        3.5278830076
  C        10.2079268766        2.5855905183        3.2798752670
  C         9.7707327727        3.4422407678        4.2930505142
  C        10.3420664612        3.3098792464        5.5598456200
  C        11.3263549262        2.3466124077        5.8068967005
  C         9.8986117673        4.2068659907        6.6774141415
  F        10.9545801794        4.8777364891        7.2547777294
  F         8.9823409388        5.1297199398        6.2390843767
  F         9.3004441288        3.5289056326        7.7042090234
  C         9.6444239359        2.7474857669        1.8981693662
  F         9.5017851559        1.5424704895        1.2472732097
  F         8.4076767003        3.3411871968        1.9045290914
  F        10.4552635198        3.5265489269        1.1006727209
  C        11.8050663086       -0.9550369346        5.5501708243
  C        11.2443008666       -1.8262800425        4.5971306384
  C        10.2968636166       -2.7984846587        4.9428285154
  C         9.8536393165       -2.9275286682        6.2657344832
  C        10.3795832640       -2.0545010430        7.2271475722
  C        11.3331538349       -1.0929105562        6.8700115819
  C         9.9815086757       -2.1741391908        8.6775915764
  F         9.5917543956       -0.9760344151        9.2351464991
  F         8.9639475396       -3.0564945671        8.8729715039
  F        11.0236601565       -2.6085509719        9.4607956186
  C         9.7531536721       -3.6936277697        3.8586352867
  F         8.8191718524       -4.5662087147        4.3278396276
  F        10.7192294888       -4.4501865495        3.2315008927
  F         9.1425414853       -2.9673333992        2.8581704131
  C        13.8915651746        0.6182127932        6.3294975037
  C        14.3828620494        1.9175648000        6.5523664744
  C        15.3594472297        2.1896419890        7.5244885752
  C        15.8865464795        1.1707298073        8.3140367275
  C        15.4251412186       -0.1318982337        8.0962853244
  C        14.4583369687       -0.4006672150        7.1232593068
  C        16.0259172633       -1.2292423747        8.9220190160
  F        16.0415201709       -0.8756742825       10.2616109202
  F        17.3314744373       -1.4926195809        8.5816203375
  F        15.3725360023       -2.4164651070        8.8043086447
  C        15.9206936641        3.5770694141        7.6381458429
  F        16.4808802975        3.8554038258        8.8572073899
  F        14.9781403548        4.5355864124        7.4066115856
  F        16.8939496855        3.7862550348        6.6787679642
  H        14.0066070286        1.9137910886        3.1346879498
  H        13.8627206777       -2.2381119513        4.2495581770
  H        16.2242406157       -1.0068572961        0.8739278033
  H        11.5091985294        0.9740158524        2.7142727840
  H         9.0081786190        4.1889307439        4.0974445886
  H        11.7327236312        2.2656432528        6.8144425067
  H        11.5506465328       -1.7510604600        3.5540042585
  H         9.1289491305       -3.6894292613        6.5381286248
  H        11.7184356764       -0.4325265952        7.6460478088
  H        14.0032300322        2.7436551835        5.9525084446
  H        16.6405364952        1.3842459067        9.0675447400
  H        14.1377287035       -1.4308180807        6.9799774892
  H        11.1450777226        7.5874164932        3.7058389689
  H        11.6570632398        8.0746855906        5.9749487405
  H        11.2804332584        9.9298025516        3.2932100322
  H        12.1620591301       11.3290991696        5.3315580889
     648
 i =      20, E =    -4477.5236894103
 Rh         3.6579297205        0.2162227012        4.8538212208
  P         5.4022090327        0.6560150921        6.3048397003
  C         5.2345010488       -0.3211014371        7.8708589244
  C         4.8406624320       -1.7879962835        7.6054050072
  C         4.5184855424       -2.4993667066        8.9291493802
  C         5.6977903136       -2.4258138240        9.9085783965
  C         6.1621507658       -0.9781090616       10.1303281223
  C         6.4509282372       -0.2462217039        8.8062487406
  C         5.6554905527        2.4292937385        6.8181883270
  C         4.6565211351        2.8408147591        7.9201383804
  C         4.7043526733        4.3481569695        8.2130382459
  C         4.4836335607        5.1669345858        6.9388826318
  C         5.5429426882        4.8234498346        5.8892235348
  C         5.5373217910        3.3230834942        5.5621703752
  C         7.0194895733        0.1442010235        5.5253865748
  C         6.9742258392        0.2676158135        3.9918314160
  P         5.3165735765       -0.2513493747        3.3140575255
  C         5.5225874438       -2.0325132124        2.8180375477
  C         4.3864212178       -2.4469336157        1.8597724850
  C         4.3450288934       -3.9599690687        1.6143488948
  C         4.3024429191       -4.7528818029        2.9228048158
  C         5.5247477218       -4.4142818523        3.7799502107
  C         5.5694844351       -2.9100860640        4.0892262996
  C         5.0716839653        0.6805888777        1.7304117855
  C         4.7535090239        2.1687412973        1.9744369290
  C         4.3596837168        2.8485281036        0.6532223938
  C         5.4653766720        2.6999137694       -0.4022944180
  C         5.8326594828        1.2235046057       -0.6204889204
  C         6.2008605567        0.5174705855        0.6987798639
  C         1.9019593294        0.2555579270        3.4955214975
  C         1.8899971487       -0.9502368475        4.2014440368
  C         1.0618608194       -0.7080871866        5.4783155516
  C         1.9610874651        0.2489103840        6.2906691661
  C         1.9757343527        1.4558203276        5.5872968106
  C         1.0846804786        1.2545201664        4.3444273816
  C         0.0118160001        0.2965397588        4.9314249496
  H         4.3788909049        0.1621659712        8.3716826732
  H         5.6687047571       -2.3094646425        7.1019846420
  H         3.9799658760       -1.8309231398        6.9198490871
  H         4.2455744812       -3.5461874302        8.7356888233
  H         3.6320823559       -2.0281295719        9.3787824032
  H         5.4180271150       -2.8826085476       10.8691626857
  H         6.5335746184       -3.0230934981        9.5184687766
  H         7.0657745927       -0.9574109634       10.7575940834
  H         5.3789840517       -0.4296717915       10.6771833159
  H         6.7340527736        0.7954101620        9.0069331614
  H         7.3138779586       -0.7120918274        8.3125866695
  H         6.6770884058        2.5110293943        7.2236555665
  H         4.8628193648        2.2808349041        8.8419123267
  H         3.6350213759        2.5686867944        7.6180440072
  H         5.6803653199        4.6091619948        8.6473516646
  H         3.9483881321        4.5947424597        8.9718440457
  H         4.4970270399        6.2410355795        7.1703959089
  H         3.4828770752        4.9585844700        6.5328811392
  H         6.5335043527        5.1258485359        6.2551097046
  H         5.3663511023        5.3811635561        4.9589895231
  H         6.3504873926        3.0933230275        4.8578809721
  H         4.6004513866        3.0701550981        5.0394647424
  H         7.8475771416        0.7309534387        5.9486154935
  H         7.1882532798       -0.9010406513        5.8207211149
  H         7.7775745792       -0.3165545644        3.5201248985
  H         7.1185466820        1.3136269933        3.6867339251
  H         6.4858693702       -2.1223415278        2.2904325282
  H         4.4965419653       -1.9250428511        0.8991539033
  H         3.4192951730       -2.1249496677        2.2698735724
  H         5.2361402698       -4.2586350061        1.0439174311
  H         3.4756080762       -4.1963281389        0.9871227333
  H         4.2556223706       -5.8291786851        2.7074552110
  H         3.3819569678       -4.5165780866        3.4777832908
  H         5.5134108829       -4.9702996432        4.7288815793
  H         6.4398971795       -4.7159726046        3.2505893045
  H         6.4730714818       -2.6765155579        4.6705751829
  H         4.7110499991       -2.6494581802        4.7289941570
  H         4.1602724597        0.2180967766        1.3154429646
  H         5.6343126177        2.6756621747        2.3961311299
  H         3.9494074828        2.2645138908        2.7204529418
  H         4.1348581822        3.9092747897        0.8315199564
  H         3.4296985847        2.3941730194        0.2794180111
  H         6.3570411336        3.2554908550       -0.0759936044
  H         5.1482058346        3.1558561927       -1.3515341051
  H         6.6725045741        1.1374678521       -1.3258105995
  H         4.9775319603        0.7025367303       -1.0805679575
  H         7.1267760129        0.9519331018        1.0982835205
  H         6.4081281184       -0.5439304040        0.5094451689
  H         2.1404555701        0.3957259690        2.4451142776
  H         2.1359493730       -1.9382876483        3.8227468918
  H         0.7137725371       -1.6018216057        6.0013963737
  H         2.2419692177        0.0928298763        7.3281343959
  H         2.2813513224        2.4295777495        5.9600198003
  H         0.7562523979        2.1649757447        3.8368869649
  H        -0.5896393266        0.7600796283        5.7191857487
  H        -0.6366242139       -0.1407821205        4.1650601812
 Rh        14.7468175987       19.6430176478       14.9394715332
  P        13.0080966718       19.2165064720       13.4767774738
  C        13.1773734990       20.2124188824       11.9207021743
  C        13.5453314422       21.6830671306       12.1997301940
  C        13.8487157660       22.4161756730       10.8825606405
  C        12.6687552674       22.3303294946        9.9048219828
  C        12.2388492812       20.8755957033        9.6647246912
  C        11.9662409364       20.1227615789       10.9798260154
  C        12.7307548329       17.4596682392       12.9192735325
  C        13.7705280913       17.0366384922       11.8605400886
  C        13.6741030805       15.5433798704       11.5086329294
  C        13.7510124512       14.6612915634       12.7581593988
  C        12.6465639653       15.0417707607       13.7487178212
  C        12.7458989092       16.5226758883       14.1469897447
  C        11.3895724081       19.7297152529       14.2556854494
  C        11.4290956892       19.6041687047       15.7891072174
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  F         7.4942813926        5.8860006083        3.2967439823
  F         5.7151942502        5.5571606734        2.0525852590
  F         0.7810240241       15.0412224208        6.2959720048
  F         0.9667565226       13.3747364580        7.7025230698
  F         2.7523058248       14.5660704875        7.1200095482
  C         1.5906733132       14.0021920158        6.6497893694
  H         7.5162342645        8.5531429625        0.7449539182
  H         5.2011953362        7.3426577418        4.1623822575
  H         5.4601532504       11.5054678058        3.1101722175
  H         2.8861190026        7.9023893872        3.6193223304
  H         0.6062641068        5.9599311023        6.7101670889
  H         3.1867393837        9.2699363934        7.6783999774
  H         5.4451612418        8.1659018793        6.8951469721
  H         7.9028039786       10.8511144028        9.1857739836
  H         5.5340721088       12.3388739814        5.9125130352
  H         2.8978985772       10.5995583590        2.7280068181
  H         0.5637812390       13.9487241100        4.0894879653
  H         3.2669780593       11.9677483669        6.7856276575
  F         9.9776112065        8.3852878536       18.4800483157
  C        11.2740359444        8.6512585610       18.8594414984
  F        11.9368924918        7.4653406875       18.8394287935
  F        11.2158224927        9.0221068313       20.1782443966
  C        11.8724068584        9.7154095359       17.9841545493
  C        11.4349912026       11.0308800846       18.1790309604
  C        11.8867918358       12.0109980548       17.2963920558
  C        12.7660804801       11.6869667688       16.2533617692
  C        13.2342416855       10.3768670313       16.0480533352
  C        12.7466625705        9.3965747149       16.9392498743
  B        14.1561297219        9.9820490002       14.7491317696
  C        15.1696382247       11.1858249389       14.2798407371
  C        15.7646922161       12.0594732884       15.2067583595
  C        16.7051824098       13.0252414102       14.8261470304
  C        17.0958814668       13.1590150429       13.4867516363
  C        16.5216327281       12.2955706724       12.5467012848
  C        15.5861914853       11.3287319721       12.9419838957
  C        16.8474738784       12.4017040195       11.0773341453
  F        17.8548519599       13.2685784314       10.7848523721
  F        15.7486336123       12.8158303912       10.3427218669
  F        17.2339764403       11.1877710660       10.5589332480
  C        17.2386363259       13.9426806019       15.8934315317
  F        16.2463822003       14.6716889332       16.4969678246
  F        18.1492262608       14.8391857954       15.4054944779
  F        17.8380452605       13.2538894927       16.9317078341
  C        13.0544577269        9.6415167920       13.5700295659
  C        12.4597496004       10.6706712887       12.8106199217
  C        11.4859588460       10.4097924013       11.8375603328
  C        11.0656611290        9.1026440319       11.5802290800
  C        11.6162332309        8.0720053602       12.3422492381
  C        12.5769521749        8.3391500960       13.3252812526
  C        11.0308134324        6.6963429191       12.2160894525
  F        10.4951412203        6.4295882268       10.9932994052
  F        11.9217262527        5.6902633723       12.4706786950
  F        10.0089596008        6.5603472993       13.1302596131
  C        10.9086888090       11.5277457702       11.0150386921
  F         9.7354839900       11.1770726897       10.4086246385
  F        10.6297986178       12.6540041139       11.7350966964
  F        11.7554684169       11.8866930739        9.9868994320
  C        15.1770265132        8.7298577274       15.0507446822
  C        15.8125950229        8.5301050365       16.3003245761
  C        16.7463336414        7.5028759640       16.4899366609
  C        17.0621131723        6.6272150618       15.4446563463
  C        16.4546074790        6.8109221562       14.2071814545
  C        15.5500319111        7.8595414933       14.0101751835
  C        17.4415656833        7.2170617969       17.7957310484
  F        17.6082313756        8.3121983297       18.6160652808
  F        16.7936288953        6.2607157025       18.5494302343
  F        18.6981593320        6.7201639738       17.5387552697
  C        11.3924429912       13.4241611003       17.4282575013
  F        10.7865858686       13.6671786747       18.6249093059
  F        10.4808519532       13.7344222263       16.4314238656
  F        12.4021488740       14.3399765731       17.3052644403
  F        17.6269055685        4.8720400652       13.4843713832
  F        17.3786931213        6.5297958933       12.0287659480
  F        15.6602335424        5.2681486881       12.5490998383
  C        16.7782021770        5.8758888953       13.0768846546
  H        10.7497072683       11.2809545053       18.9842926148
  H        13.0911437782       12.4810098700       15.5821858849
  H        13.0463278661        8.3580985339       16.8079743964
  H        15.4848006481       11.9933864814       16.2571170337
  H        17.8080716768       13.9208870737       13.1838097705
  H        15.1653903770       10.6734540249       12.1801988670
  H        12.7580087914       11.7042914492       12.9842049363
  H        10.3071808095        8.8941658122       10.8320743568
  H        12.9584215181        7.5087708694       13.9173288986
  H        15.5805641186        9.1933508070       17.1333763011
  H        17.7733573092        5.8236858070       15.5949479571
  H        15.1214585980        7.9946285311       13.0181534862
  F         2.7261846490       18.6311925816       20.0893336207
  C         2.6930255652       18.2641717303       18.7568016618
  F         1.3607945355       18.0117062039       18.4804879754
  F         3.3566792198       17.0824646401       18.6321405160
  C         3.2784251096       19.3238957954       17.8768020791
  C         4.1410841836       19.0062329956       16.8203039285
  C         4.6629998838       19.9955562925       15.9607639517
  C         4.2435072230       21.3116623971       16.2088042576
  C         3.3916398249       21.6273859027       17.2717293268
  C         2.9010537741       20.6440196771       18.1238343824
  C         2.9057549818       23.0281186878       17.4267309190
  F         2.2957955784       23.2314837481       18.6257049224
  F         3.9063856342       23.9601569517       17.3086868331
  F         1.9875823650       23.3025582860       16.4303240850
  B         5.5946300598       19.6228670329       14.6654632471
  C         6.6211199658       18.3905796132       14.9863748980
  C         7.2284758190       18.2563665501       16.2500098920
  C         8.1990009413       17.2812207353       16.5037232828
  C         8.6019386494       16.3882753312       15.5101627283
  C         8.0148929743       16.5102870931       14.2527608342
  C         7.0553969842       17.4966570516       13.9931084892
  C         8.4124343356       15.5859565798       13.1446910787
  F         7.3128422211       15.0292775042       12.5390694976
  F         9.2154701080       14.5625579275       13.5673523761
  F         9.1134982436       16.2367830379       12.1640117348
  C         8.7682656437       17.1461620756       17.8801763447
  F         8.9095843855       18.3690390467       18.4851751036
  F        10.0085933609       16.5641773351       17.8936301542
  F         7.9609716396       16.3835491503       18.6996119023
  C         6.6107464185       20.8415971937       14.2502454138
  C         7.1899401210       21.6974246536       15.2066008645
  C         8.1224058013       22.6800355678       14.8531191337
  C         8.5327722434       22.8393304170       13.5275272049
  C         7.9883253042       21.9845795531       12.5697150374
  C         7.0507465288       21.0080071609       12.9243627384
  C         8.3846258842       22.1140394967       11.1298757234
  F         8.8226943954       20.9026875949       10.6301088452
  F         9.3751235939       23.0302088447       10.9260613612
  F         7.3277658057       22.5112262261       10.3393263283
  C         8.6675110543       23.5908587243       15.9118182355
  F         9.5905748382       24.4650323181       15.4073802813
  F         7.6912594161       24.3595184327       16.5007829571
  F         9.2711866276       22.8833932691       16.9356734060
  C         4.5213091427       19.2832666790       13.4689954441
  C         4.0262109683       17.9867730190       13.2437995585
  C         3.0498805974       17.7177834991       12.2723257860
  C         2.5242894178       18.7382579602       11.4842519844
  C         2.9876284617       20.0397165138       11.7050132613
  C         3.9543704922       20.3056493086       12.6792944615
  C         2.3885136614       21.1376290966       10.8789772057
  F         2.3730686732       20.7840920085        9.5386889675
  F         1.0828018556       21.4011812291       11.2184584080
  F         3.0421040344       22.3245175275       10.9958219084
  C         2.4915816952       16.3300589246       12.1601486446
  F         1.9330026876       16.0521253244       10.9407729901
  F         3.4360898579       15.3730034653       12.3929614273
  F         1.5200586906       16.1218510322       13.1202274240
  H         4.4096392106       17.9642638294       16.6576018580
  H         4.5820081027       22.1159640036       15.5575173635
  H         2.2355371136       20.8955130111       18.9447033113
  H         6.9441397698       18.9323139529       17.0554242240
  H         9.3417060475       15.6207213131       15.7138139973
  H         6.6397890732       17.5645396746       12.9886668060
  H         6.9080455432       21.6026303267       16.2547921272
  H         9.2459985473       23.6086423656       13.2501824186
  H         6.6545820900       20.3608466815       12.1429058438
  H         4.4040117640       17.1585450179       13.8410664038
  H         1.7707232537       18.5277918061       10.7295934734
  H         4.2748631349       21.3356334586       12.8245908619
  F        15.6885550716        1.2761348307       -0.2889681295
  C        15.7255952932        1.6369337962        1.0438153256
  F        17.0556272127        1.8967088178        1.3192508549
  F        15.0578291179        2.8198889398        1.1699513758
  C        15.1560719412        0.5642512220        1.9268396494
  C        14.2864171102        0.8741819087        2.9797172280
  C        13.7709383350       -0.1159894673        3.8436259589
  C        14.2052150230       -1.4301126268        3.6044379730
  C        15.0728057165       -1.7434348286        2.5493514755
  C        15.5538368492       -0.7557058306        1.6928908359
  C        15.5244296574       -3.1628454475        2.3800092257
  F        16.1185563997       -3.3936154840        1.1763141103
  F        14.4978467941       -4.0561395845        2.4935918909
  F        16.4265024434       -3.5197251211        3.3691773241
  B        12.8272539400        0.2608745123        5.1304210990
  C        11.7920864438        1.4839350395        4.7992710082
  C        11.1998140369        1.6289094240        3.5282679712
  C        10.2082404337        2.5853278964        3.2800602213
  C         9.7709340516        3.4419986688        4.2931887688
  C        10.3422512950        3.3098819260        5.5599738164
  C        11.3266500966        2.3467690882        5.8072144152
  C         9.8989913130        4.2069577212        6.6774897113
  F        10.9545386839        4.8779106006        7.2547149109
  F         8.9824245559        5.1299014295        6.2391187664
  F         9.3004644392        3.5289479977        7.7041926207
  C         9.6446553846        2.7473962362        1.8982524460
  F         9.5017949442        1.5424424352        1.2472856164
  F         8.4077508448        3.3411560794        1.9045843423
  F        10.4552480790        3.5265056457        1.1007167082
  C        11.8053240967       -0.9550916183        5.5500543928
  C        11.2445343998       -1.8263095393        4.5969235273
  C        10.2967736025       -2.7982115813        4.9425769712
  C         9.8536311871       -2.9274339540        6.2654711359
  C        10.3801284420       -2.0549391777        7.2269897551
  C        11.3334352535       -1.0931429613        6.8698393598
  C         9.9816946332       -2.1742742127        8.6773677444
  F         9.5917616647       -0.9760901383        9.2346929678
  F         8.9639164423       -3.0565232249        8.8728862991
  F        11.0235583063       -2.6085806289        9.4608371238
  C         9.7532802407       -3.6932271752        3.8583713155
  F         8.8191500372       -4.5662478943        4.3278495526
  F        10.7191649067       -4.4501587272        3.2315222336
  F         9.1424952730       -2.9673464210        2.8581039699
  C        13.8939455644        0.6161286531        6.3313930982
  C        14.3843380047        1.9159774291        6.5534668140
  C        15.3611724583        2.1886799834        7.5250239507
  C        15.8905703296        1.1700008004        8.3137354487
  C        15.4330739014       -0.1342947409        8.0964967236
  C        14.4630297843       -0.4026412721        7.1248127066
  C        16.0288170267       -1.2286697687        8.9339612507
  F        16.0365413804       -0.8731832736       10.2688758656
  F        17.3426426707       -1.4912186691        8.6417158185
  F        15.3739984532       -2.4156396234        8.8045710808
  C        15.9209292311        3.5769453258        7.6384256695
  F        16.4809554134        3.8554877291        8.8574940376
  F        14.9782729326        4.5350739355        7.4066568945
  F        16.8940261385        3.7862398547        6.6788216392
  H        14.0067868552        1.9144652751        3.1348829275
  H        13.8621118546       -2.2382485790        4.2496497844
  H        16.2235668880       -1.0065515120        0.8750114067
  H        11.5096170357        0.9740092053        2.7144922358
  H         9.0083435646        4.1886395618        4.0975152286
  H        11.7329784975        2.2657685546        6.8147440643
  H        11.5512021458       -1.7516580838        3.5538405532
  H         9.1280441995       -3.6883781060        6.5379588813
  H        11.7180350962       -0.4321677721        7.6457130699
  H        14.0036074762        2.7418097179        5.9537356350
  H        16.6430980294        1.3854175778        9.0680535933
  H        14.1404358940       -1.4322520392        6.9820368747
  H        11.1682923544        7.5830025361        3.7456693600
  H        11.6495086421        8.0819070290        6.0113374197
  H        11.2949226175        9.9209831604        3.2802569874
  H        11.8748987981       11.1298813203        5.4976019846
     648
 i =      20, E =    -4477.5387825648
 Rh         3.6579722732        0.2164566994        4.8537141612
  P         5.4017577259        0.6560141494        6.3047631155
  C         5.2341452542       -0.3210779022        7.8707751925
  C         4.8403429027       -1.7879789491        7.6053034798
  C         4.5183752000       -2.4993875126        8.9290507239
  C         5.6978130782       -2.4257701556        9.9083608324
  C         6.1621371735       -0.9780255972       10.1300495384
  C         6.4507535950       -0.2461678428        8.8059290688
  C         5.6546504364        2.4292397006        6.8181536573
  C         4.6556009494        2.8406687855        7.9200883671
  C         4.7037246340        4.3479402166        8.2132794456
  C         4.4834362293        5.1670617676        6.9392727311
  C         5.5429059754        4.8235662605        5.8897749520
  C         5.5369391474        3.3232943126        5.5622585469
  C         7.0192133841        0.1444487834        5.5255413236
  C         6.9739321126        0.2677426925        3.9919926758
  P         5.3162751243       -0.2510612904        3.3143079623
  C         5.5222409707       -2.0321397514        2.8182493621
  C         4.3862359237       -2.4464722308        1.8597584076
  C         4.3447857577       -3.9594899647        1.6143232987
  C         4.3020427869       -4.7524482186        2.9227511672
  C         5.5243179852       -4.4139713655        3.7799958804
  C         5.5691097064       -2.9098020512        4.0893928375
  C         5.0714555397        0.6809670764        1.7307890945
  C         4.7531176199        2.1690869738        1.9748455945
  C         4.3595580736        2.8488548249        0.6535527620
  C         5.4655385053        2.7004124148       -0.4016975703
  C         5.8331983595        1.2240685199       -0.6197734709
  C         6.2010172064        0.5180737183        0.6995862772
  C         1.9019432584        0.2547864353        3.4955232197
  C         1.8905333235       -0.9506871412        4.2019784901
  C         1.0627470632       -0.7081819294        5.4791051990
  C         1.9616379650        0.2497332653        6.2908220184
  C         1.9757489661        1.4561702310        5.5866713749
  C         1.0845320606        1.2538493195        4.3441139964
  C         0.0121988939        0.2957319878        4.9318850261
  H         4.3785986253        0.1621466275        8.3717444355
  H         5.6683689098       -2.3093697362        7.1018034681
  H         3.9795522803       -1.8309179245        6.9198753761
  H         4.2452859711       -3.5461685501        8.7356664354
  H         3.6320365502       -2.0280476898        9.3786762636
  H         5.4181453243       -2.8824888972       10.8690199878
  H         6.5336629500       -3.0230590063        9.5182449561
  H         7.0657989347       -0.9573304156       10.7572665770
  H         5.3790451811       -0.4295905780       10.6769865768
  H         6.7338012440        0.7954868204        9.0066225502
  H         7.3136407006       -0.7120299837        8.3121910224
  H         6.6761787267        2.5107546903        7.2237984061
  H         4.8618424259        2.2805177324        8.8417754076
  H         3.6340078885        2.5687870287        7.6180833785
  H         5.6797582498        4.6085611968        8.6477719468
  H         3.9477126439        4.5945567893        8.9720246169
  H         4.4969988916        6.2410983841        7.1710897311
  H         3.4827142592        4.9590825660        6.5330033474
  H         6.5334928403        5.1254192159        6.2560333616
  H         5.3667858033        5.3816609065        4.9596808155
  H         6.3502885214        3.0935433250        4.8581786741
  H         4.6001995904        3.0708272966        5.0391056246
  H         7.8470386314        0.7315495602        5.9487700403
  H         7.1883428260       -0.9006861166        5.8210494445
  H         7.7771399904       -0.3165208491        3.5201938326
  H         7.1182792175        1.3137322557        3.6868610029
  H         6.4855820172       -2.1218048481        2.2907563349
  H         4.4966828829       -1.9245841529        0.8991788094
  H         3.4190048085       -2.1243981135        2.2695224425
  H         5.2359553950       -4.2581471139        1.0439835628
  H         3.4754139283       -4.1958250803        0.9870322140
  H         4.2551036504       -5.8287276869        2.7073464146
  H         3.3815401778       -4.5161423405        3.4776992901
  H         5.5128334083       -4.9700652070        4.7288847510
  H         6.4394826383       -4.7156099303        3.2506336679
  H         6.4726931805       -2.6762587459        4.6707609402
  H         4.7107167569       -2.6492688429        4.7292426137
  H         4.1601983727        0.2184203741        1.3155558828
  H         5.6338167992        2.6760293788        2.3967213007
  H         3.9488528700        2.2648420746        2.7206844299
  H         4.1344855573        3.9095505630        0.8318198297
  H         3.4297365625        2.3943680361        0.2795451863
  H         6.3570051885        3.2562016841       -0.0752165338
  H         5.1484995049        3.1562182626       -1.3510478323
  H         6.6733148744        1.1381912959       -1.3247789910
  H         4.9783300694        0.7029335259       -1.0801208507
  H         7.1266655929        0.9526958319        1.0995152781
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 Rh         5.8970612320       10.0478451790       15.0422857073
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  C         5.6975372903       10.4581167919        2.9298238894
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  F         2.6716727940        7.1586406802        9.5290087848
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  F         0.2607317240        5.0673580163        4.3281571819
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  C         6.7122459681        9.3902717871        8.1052594316
  C         7.1938658398       10.6766454434        8.3829080910
  C         6.7570784733       11.7303104229        7.5705873405
  C         5.8412827592       11.4988637739        6.5329444188
  C         7.3147463544       13.1244180212        7.7115638803
  F         7.8403519685       13.4115835211        8.9407174910
  F         6.3619593453       14.0753612047        7.4142947136
  F         8.3390836881       13.3438037303        6.8142065766
  C         7.1862476231        8.1716323116        8.8437693021
  F         8.3833772580        8.3729203640        9.4668668546
  F         7.3569044096        7.1089725202        7.9944073123
  F         6.3035200190        7.7468075983        9.8149114186
  C         3.2470895393       11.1404812643        4.7892341009
  C         2.6311789614       11.2817282503        3.5359459019
  C         1.6728299585       12.2674232424        3.2951708028
  C         1.2933053049       13.1734253417        4.2883261854
  C         1.8955280340       13.0466803511        5.5381762402
  C         2.8386376873       12.0409209653        5.7870392002
  C         1.1053489120       12.3792492754        1.9206516649
  F         1.0145095450       11.1561798589        1.3138209358
  F         1.8929432114       13.1549802526        1.0991725620
  F        -0.1577091384       12.9018037966        1.9050507876
  C         6.7994871486        6.3867010249        2.2116455058
  F         7.6092149423        6.2356874238        1.1155439658
  F         7.4945156903        5.8860148762        3.2969043829
  F         5.7152561676        5.5572708792        2.0526493413
  F         0.7808842608       15.0417973139        6.3002752587
  F         0.9668478659       13.3741894405        7.7036061386
  F         2.7528091283       14.5659980655        7.1205219486
  C         1.5904568871       14.0024354795        6.6520259531
  H         7.5185342529        8.5535080189        0.7470811671
  H         5.1985936845        7.3424585329        4.1609710332
  H         5.4579810804       11.5054064245        3.1090807872
  H         2.8849550978        7.9028363091        3.6194324659
  H         0.6059212329        5.9597775204        6.7103774344
  H         3.1864836113        9.2696452963        7.6787278386
  H         5.4469201343        8.1656243316        6.8932515411
  H         7.9004058628       10.8514859021        9.1875664382
  H         5.5331340927       12.3389457226        5.9127283115
  H         2.8962623299       10.6006692643        2.7291965882
  H         0.5626626695       13.9505313307        4.0905705179
  H         3.2655481143       11.9684538279        6.7865873913
  F         9.9775349657        8.3852673795       18.4800407003
  C        11.2740124994        8.6511733075       18.8592587829
  F        11.9368623097        7.4653916204       18.8393879713
  F        11.2158199530        9.0221354747       20.1781438890
  C        11.8721308708        9.7154515166       17.9838265066
  C        11.4347760688       11.0309399862       18.1788325234
  C        11.8865488327       12.0110878416       17.2962156350
  C        12.7656093021       11.6871420751       16.2529944154
  C        13.2339031565       10.3771617925       16.0475767572
  C        12.7462543711        9.3967210523       16.9387489660
  B        14.1562205635        9.9825131898       14.7487478394
  C        15.1706320224       11.1847551255       14.2775507192
  C        15.7652312531       12.0592673128       15.2036420441
  C        16.7061387652       13.0243848696       14.8220056172
  C        17.0985004148       13.1539515543       13.4818201147
  C        16.5274372797       12.2862818676       12.5410203611
  C        15.5888243797       11.3236645102       12.9391967251
  C        16.8479933633       12.3972591721       11.0680791161
  F        17.8549871795       13.2678516781       10.7840796355
  F        15.7469219631       12.8175199186       10.3423892889
  F        17.2272975683       11.1906092780       10.5254700673
  C        17.2385846137       13.9424675830       15.8913062714
  F        16.2465469778       14.6711936255       16.4963677312
  F        18.1493709124       14.8394358015       15.4048663026
  F        17.8378948662       13.2537889856       16.9303986597
  C        13.0555991371        9.6426335932       13.5690624421
  C        12.4602232010       10.6719813910       12.8103752377
  C        11.4872760952       10.4110990320       11.8364892921
  C        11.0689726858        9.1038923100       11.5769934181
  C        11.6203406695        8.0732265971       12.3381963164
  C        12.5798189554        8.3401281490       13.3224028494
  C        11.0321656491        6.6983770838       12.2147163102
  F        10.4951344573        6.4296516855       10.9931033412
  F        11.9212621358        5.6907421448       12.4707540837
  F        10.0100313430        6.5645397354       13.1297390144
  C        10.9088282857       11.5284535050       11.0146771351
  F         9.7352878894       11.1771503341       10.4086535291
  F        10.6297456013       12.6542462169       11.7350034520
  F        11.7552434616       11.8868498740        9.9860937036
  C        15.1768703436        8.7299711970       15.0506991039
  C        15.8120740705        8.5296423792       16.3003369673
  C        16.7460480223        7.5022806932       16.4888319534
  C        17.0609729134        6.6263505684       15.4432275081
  C        16.4526370845        6.8096564122       14.2057196076
  C        15.5495757519        7.8597959558       14.0097140551
  C        17.4414300073        7.2166564360       17.7950256342
  F        17.6080675775        8.3119295731       18.6155518942
  F        16.7936144632        6.2607049556       18.5492284167
  F        18.6981334482        6.7199140128       17.5383973566
  C        11.3924105295       13.4242244347       17.4282574328
  F        10.7865422731       13.6671729312       18.6249125080
  F        10.4808496468       13.7344721614       16.4313890229
  F        12.4021355976       14.3399785393       17.3053768522
  F        17.6261687304        4.8721146985       13.4836211311
  F        17.3788457916        6.5300443697       12.0282438900
  F        15.6598970807        5.2677323438       12.5449949002
  C        16.7768503692        5.8752902150       13.0745041494
  H        10.7494695255       11.2810521545       18.9840579642
  H        13.0904303613       12.4811241550       15.5816694889
  H        13.0458328837        8.3581881406       16.8075518781
  H        15.4843903532       11.9946269135       16.2539788854
  H        17.8089996430       13.9181389414       13.1797588130
  H        15.1649604514       10.6688719745       12.1787381101
  H        12.7570876081       11.7057529608       12.9852252891
  H        10.3098344315        8.8949686525       10.8296556406
  H        12.9599801424        7.5092230333       13.9145907295
  H        15.5797199146        9.1921449371       17.1340989806
  H        17.7721758601        5.8228007924       15.5945159571
  H        15.1213684546        7.9963477568       13.0178059851
  F         2.7262733222       18.6309850057       20.0890521720
  C         2.6937030064       18.2625273864       18.7566230024
  F         1.3610091505       18.0116202451       18.4804296892
  F         3.3566550997       17.0810444237       18.6325103529
  C         3.2815315334       19.3200018734       17.8763571045
  C         4.1439851421       19.0024837510       16.8194821844
  C         4.6661846759       19.9920830877       15.9602501180
  C         4.2485380151       21.3082036170       16.2093054494
  C         3.3994503116       21.6230792929       17.2742356253
  C         2.9071199859       20.6400536745       18.1251046780
  C         2.9082719238       23.0217676376       17.4273626368
  F         2.2963601469       23.2259350441       18.6255071694
  F         3.9051128491       23.9590337097       17.3086721058
  F         1.9884416416       23.2929832536       16.4299073805
  B         5.5966724504       19.6226653810       14.6645753886
  C         6.6225102098       18.3905344661       14.9854148804
  C         7.2291633717       18.2564757223       16.2494184773
  C         8.1991639506       17.2810490376       16.5036510197
  C         8.6019377402       16.3877622544       15.5103135404
  C         8.0153480749       16.5098535202       14.2527363794
  C         7.0565007076       17.4964677466       13.9925271019
  C         8.4125947188       15.5857501016       13.1447070538
  F         7.3128647528       15.0292491140       12.5390602089
  F         9.2155415772       14.5624225579       13.5673118214
  F         9.1135269813       16.2367479408       12.1639088745
  C         8.7682825759       17.1461532665       17.8801640080
  F         8.9095675023       18.3690221485       18.4851568616
  F        10.0086049495       16.5641707848       17.8936455506
  F         7.9609647670       16.3835390855       18.6996178179
  C         6.6120713488       20.8417368256       14.2501811680
  C         7.1910084140       21.6975241567       15.2064603598
  C         8.1229550024       22.6804405841       14.8529042966
  C         8.5332611252       22.8399884354       13.5273113978
  C         7.9887160249       21.9851504219       12.5695561600
  C         7.0513925760       21.0085392104       12.9241806526
  C         8.3847421055       22.1142854805       11.1298051707
  F         8.8227062508       20.9028971640       10.6300706569
  F         9.3752190114       23.0303451748       10.9261281982
  F         7.3277922797       22.5112840424       10.3392846052
  C         8.6676974411       23.5910265488       15.9117834895
  F         9.5906871773       24.4651717005       15.4073814052
  F         7.6912845608       24.3595277444       16.5007706277
  F         9.2712004445       22.8834281693       16.9356570311
  C         4.5248887678       19.2863320640       13.4671095323
  C         4.0340571247       17.9898593791       13.2371991759
  C         3.0649880209       17.7233600944       12.2591521313
  C         2.5314544920       18.7428112322       11.4778057189
  C         2.9903570793       20.0438896120       11.7038500932
  C         3.9566992005       20.3091465396       12.6786859205
  C         2.3888023620       21.1395211942       10.8788681632
  F         2.3730332684       20.7844716043        9.5387350012
  F         1.0828063729       21.4013501800       11.2184837741
  F         3.0421435461       22.3257428307       10.9955718428
  C         2.4964669454       16.3434110572       12.1550421294
  F         1.9326675240       16.0528798400       10.9414679085
  F         3.4301913840       15.3757246823       12.3949717369
  F         1.5206355512       16.1850063713       13.1201528684
  H         4.4121582173       17.9605907817       16.6562222321
  H         4.5840848484       22.1129124649       15.5569363551
  H         2.2405859428       20.8926779318       18.9446582987
  H         6.9446219585       18.9326163533       17.0546351680
  H         9.3413124253       15.6199817642       15.7142514804
  H         6.6408956089       17.5645042585       12.9881304541
  H         6.9092122700       21.6024764747       16.2546278364
  H         9.2464251915       23.6094022139       13.2499985835
  H         6.6548270649       20.3618171507       12.1425419647
  H         4.4069608826       17.1606321712       13.8362511358
  H         1.7742587207       18.5309999247       10.7271627308
  H         4.2753948595       21.3392626215       12.8258468921
  F        15.6886523256        1.2760684620       -0.2897793399
  C        15.7262732343        1.6353073534        1.0430504075
  F        17.0558349709        1.8965929108        1.3189683989
  F        15.0580028707        2.8187277000        1.1700973606
  C        15.1587441571        0.5590077638        1.9237414231
  C        14.2894146911        0.8686035931        2.9768085369
  C        13.7751492775       -0.1230241148        3.8393206942
  C        14.2089951271       -1.4376252581        3.5956377156
  C        15.0752994859       -1.7535447028        2.5374353297
  C        15.5566412540       -0.7617985300        1.6856603189
  C        15.5241990751       -3.1778547579        2.3745208681
  F        16.1172357344       -3.4458680547        1.1765690675
  F        14.4917341616       -4.0604660113        2.4961873734
  F        16.4257756268       -3.5209682582        3.3695727263
  B        12.8309988363        0.2586539881        5.1273951869
  C        11.7943226841        1.4833929738        4.7982265960
  C        11.2005931017        1.6287541689        3.5278982943
  C        10.2085548399        2.5849597714        3.2801175159
  C         9.7712775673        3.4415372873        4.2933324074
  C        10.3429450679        3.3091603943        5.5599742005
  C        11.3278118761        2.3459139800        5.8067427231
  C         9.8995898396        4.2068789298        6.6774615720
  F        10.9545566231        4.8781251667        7.2546089277
  F         8.9827249364        5.1299372581        6.2391153562
  F         9.3005342142        3.5289900300        7.7041487588
  C         9.6448011228        2.7472970695        1.8983379751
  F         9.5017911270        1.5424093216        1.2472753804
  F         8.4078160334        3.3411297294        1.9046312131
  F        10.4552308389        3.5264630883        1.1007493118
  C        11.8075709869       -0.9537458573        5.5461790388
  C        11.2455209562       -1.8260034527        4.5950076268
  C        10.2966949549       -2.7970157244        4.9402980775
  C         9.8546130488       -2.9248292935        6.2621814881
  C        10.3858532750       -2.0511294203        7.2206765651
  C        11.3365521863       -1.0896861399        6.8655616223
  C         9.9826845010       -2.1729288388        8.6648549323
  F         9.5906975239       -0.9789316398        9.2330323167
  F         8.9595187737       -3.0586877388        8.8142713268
  F        11.0170852529       -2.6100246783        9.4601413975
  C         9.7532350582       -3.6928525116        3.8575696289
  F         8.8191944462       -4.5661519055        4.3278258902
  F        10.7191143035       -4.4501786227        3.2314441650
  F         9.1422923137       -2.9673533109        2.8577132873
  C        13.8959866669        0.6143277943        6.3307611051
  C        14.3850630965        1.9146837027        6.5535626620
  C        15.3617660780        2.1880871557        7.5251585762
  C        15.8921996089        1.1697043689        8.3136552139
  C        15.4352464753       -0.1348836748        8.0968793955
  C        14.4649455683       -0.4037700357        7.1253466149
  C        16.0296914545       -1.2287349800        8.9359626995
  F        16.0360495295       -0.8730277706       10.2701283388
  F        17.3438856746       -1.4914064768        8.6461175364
  F        15.3742750524       -2.4155084182        8.8047876332
  C        15.9209264332        3.5767557997        7.6384183148
  F        16.4809612550        3.8554772588        8.8575552445
  F        14.9783317221        4.5347907577        7.4066502310
  F        16.8940464711        3.7862129305        6.6788439031
  H        14.0092971927        1.9089421194        3.1337372683
  H        13.8647948673       -2.2433040241        4.2433441408
  H        16.2276251010       -1.0090159072        0.8676180896
  H        11.5100688407        0.9740140058        2.7139445154
  H         9.0085842366        4.1881628759        4.0977776855
  H        11.7334895404        2.2653755684        6.8146340753
  H        11.5526964368       -1.7533908138        3.5524753516
  H         9.1277037286       -3.6840885352        6.5364299082
  H        11.7174001526       -0.4300418458        7.6443289449
  H        14.0037515566        2.7405129258        5.9541558220
  H        16.6443549539        1.3858932878        9.0681406858
  H        14.1417736146       -1.4333525213        6.9834716896
  H        11.2092062896        7.5729952264        3.8203193553
  H        11.6251776307        8.1047568840        6.0881886732
  H        11.3220734548        9.9028586414        3.2753377245
  H        11.6714440320       10.9316128412        5.6684143621
     648
 i =      20, E =    -4477.5435400352
 Rh         3.6577497707        0.2169055755        4.8535517920
  P         5.4013618861        0.6563399798        6.3047999297
  C         5.2338885262       -0.3209441360        7.8707116444
  C         4.8399224650       -1.7877738035        7.6052205723
  C         4.5179285355       -2.4991978162        8.9289424580
  C         5.6973884489       -2.4256693941        9.9081407141
  C         6.1620937086       -0.9780800273       10.1298431444
  C         6.4506314017       -0.2462140250        8.8057509308
  C         5.6539668801        2.4294672440        6.8184265988
  C         4.6546487388        2.8407472617        7.9201725257
  C         4.7028734388        4.3479461536        8.2137030578
  C         4.4831347030        5.1674165789        6.9398407338
  C         5.5429032152        4.8239791952        5.8906166903
  C         5.5367199533        3.3237887654        5.5626700937
  C         7.0188983202        0.1449447372        5.5257611167
  C         6.9736841788        0.2680747814        3.9922266710
  P         5.3161252476       -0.2507027121        3.3144676140
  C         5.5219430715       -2.0317317301        2.8184017033
  C         4.3860505452       -2.4459295237        1.8596845064
  C         4.3444259632       -3.9589556143        1.6142859789
  C         4.3014277587       -4.7518988354        2.9227172163
  C         5.5236757350       -4.4136278471        3.7800840073
  C         5.5686426049       -2.9094665845        4.0895181057
  C         5.0714628285        0.6814645148        1.7310713501
  C         4.7527335885        2.1694865672        1.9752619632
  C         4.3594331260        2.8492989652        0.6539232631
  C         5.4657915396        2.7012755929       -0.4010011474
  C         5.8339907681        1.2250620269       -0.6191216190
  C         6.2014794117        0.5190062064        0.7003000574
  C         1.9015901259        0.2535523593        3.4953423202
  C         1.8909516977       -0.9514243131        4.2027322972
  C         1.0633451725       -0.7084275277        5.4799037512
  C         1.9617811399        0.2506098216        6.2907523193
  C         1.9751730494        1.4565419885        5.5856508772
  C         1.0836889080        1.2527533845        4.3432996517
  C         0.0121308125        0.2944823459        4.9322689671
  H         4.3785084966        0.1622968816        8.3719447642
  H         5.6678855649       -2.3091747556        7.1015987200
  H         3.9791219225       -1.8306218026        6.9198219178
  H         4.2448329507       -3.5459714047        8.7355444937
  H         3.6316485030       -2.0278081888        9.3785562004
  H         5.4179519430       -2.8824152408       10.8688505576
  H         6.5329472849       -3.0230955960        9.5178157931
  H         7.0658470014       -0.9576080197       10.7568921854
  H         5.3792224035       -0.4294682135       10.6768847437
  H         6.7337396709        0.7954026494        9.0064090854
  H         7.3135436708       -0.7120308899        8.3117849212
  H         6.6753900916        2.5108217897        7.2243409105
  H         4.8606530344        2.2804270767        8.8417969229
  H         3.6330787204        2.5690401105        7.6179228861
  H         5.6788031593        4.6083173256        8.6485256258
  H         3.9466738600        4.5944687437        8.9722795578
  H         4.4968190509        6.2413810353        7.1719831368
  H         3.4825065654        4.9597399638        6.5331925167
  H         6.5334449999        5.1254457988        6.2573144740
  H         5.3672951378        5.3824076608        4.9606253645
  H         6.3502476133        3.0940922876        4.8587773064
  H         4.6000859251        3.0716641131        5.0391520053
  H         7.8466113277        0.7321941913        5.9490066745
  H         7.1882976233       -0.9001149420        5.8213383413
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  C         6.5355328792       10.1360068089        1.8548715863
  C         6.8732157621        8.8070791133        1.5842565834
  C         6.3854145923        7.8163826595        2.4340718771
  C         5.5483131744        8.1450668671        3.5129263381
  C         5.1557458899        9.4709290593        3.7834705358
  C         5.6955316473       10.4580871409        2.9290230880
  B         4.2458856382        9.8931904325        5.0941633492
  C         3.2100052183        8.7236328884        5.5850141943
  C         2.6168187999        7.8430559428        4.6735855861
  C         1.6921954289        6.8688571946        5.0677666276
  C         1.3024242394        6.7334104961        6.4018686756
  C         1.8651243704        7.6220911307        7.3265690849
  C         2.7826606912        8.5992052375        6.9212655223
  C         1.5597678098        7.5260501110        8.7959431450
  F         0.5652719903        6.6434725373        9.0914304359
  F         2.6716817428        7.1586154140        9.5290304685
  F         1.1748915635        8.7326737942        9.3149490988
  C         1.2165101864        5.9697382616        3.9704936102
  F         2.2499487246        5.2402788316        3.4430148926
  F         0.2606549700        5.0672771180        4.3281372608
  F         0.7215514099        6.7239907061        2.9278028045
  C         5.3078123532       10.2251081451        6.2804976544
  C         5.7906577876        9.1807137827        7.0800391987
  C         6.7114971455        9.3901458562        8.1052051155
  C         7.1914505388       10.6769209080        8.3842579033
  C         6.7561342846       11.7303225880        7.5708824499
  C         5.8410613738       11.4986385393        6.5325168296
  C         7.3143238099       13.1242827656        7.7117526695
  F         7.8402382615       13.4115436243        8.9407063003
  F         6.3618575836       14.0754497148        7.4142780957
  F         8.3388645170       13.3437051988        6.8143081970
  C         7.1858322703        8.1716247216        8.8438309365
  F         8.3830830925        8.3729410381        9.4667081761
  F         7.3567317195        7.1089963228        7.9944004659
  F         6.3033352099        7.7467434394        9.8150982081
  C         3.2460057078       11.1405201567        4.7898178372
  C         2.6301107907       11.2819666339        3.5365730672
  C         1.6721404051       12.2679052234        3.2955494504
  C         1.2925798233       13.1739628549        4.2887058124
  C         1.8947832883       13.0468580722        5.5385333617
  C         2.8376027268       12.0409249838        5.7876050905
  C         1.1052917688       12.3794200474        1.9207378065
  F         1.0144977581       11.1562752211        1.3139009604
  F         1.8929253388       13.1549839428        1.0992246914
  F        -0.1578252733       12.9018514974        1.9049989526
  C         6.7996059589        6.3867336888        2.2121744109
  F         7.6091704885        6.2357689248        1.1157564608
  F         7.4947475019        5.8860231411        3.2970715668
  F         5.7153146764        5.5573718560        2.0527206403
  F         0.7807925156       15.0419137669        6.3005275725
  F         0.9667925960       13.3741812798        7.7037999255
  F         2.7527846802       14.5659867251        7.1205560172
  C         1.5902377376       14.0025107390        6.6524058783
  H         7.5217790266        8.5540870546        0.7502618577
  H         5.1949392362        7.3421871944        4.1590744997
  H         5.4549068429       11.5052413266        3.1076751643
  H         2.8833501983        7.9035034832        3.6195454123
  H         0.6055718621        5.9594956104        6.7107818640
  H         3.1862942863        9.2691889623        7.6791393392
  H         5.4493694991        8.1648428477        6.8905389580
  H         7.8969076826       10.8519045456        9.1898988264
  H         5.5321825321       12.3388609336        5.9128715264
  H         2.8949365977       10.6007759779        2.7298774731
  H         0.5619850973       13.9512354084        4.0912148255
  H         3.2641684364       11.9684240074        6.7872847599
  F         9.9775353114        8.3853068589       18.4800328049
  C        11.2739366487        8.6515016582       18.8590204815
  F        11.9368165424        7.4656563068       18.8393589803
  F        11.2158235327        9.0222783900       20.1780667786
  C        11.8717845063        9.7160035970       17.9832693525
  C        11.4340553914       11.0317684365       18.1767275161
  C        11.8855802843       12.0104431106       17.2919180880
  C        12.7652763801       11.6852905827       16.2501566053
  C        13.2336049046       10.3757666199       16.0462621428
  C        12.7456852496        9.3961773934       16.9381448906
  B        14.1557003306        9.9821597185       14.7482209772
  C        15.1712212296       11.1831585550       14.2750144892
  C        15.7652809776       12.0587931658       15.2002341929
  C        16.7067945449       13.0231823591       14.8178460943
  C        17.1011861623       13.1481696591       13.4770469260
  C        16.5330964940       12.2765145593       12.5356785686
  C        15.5912528703       11.3179895499       12.9362732517
  C        16.8506599040       12.3915798592       11.0596240751
  F        17.8552709136       13.2673157549       10.7834572102
  F        15.7466976744       12.8176315762       10.3423025655
  F        17.2294968718       11.1911808742       10.4940569848
  C        17.2384030872       13.9420969175       15.8890247050
  F        16.2466364608       14.6706682243       16.4957676521
  F        18.1493584306       14.8394854852       15.4044454871
  F        17.8377293159       13.2535830970       16.9289501600
  C        13.0557078238        9.6423339484       13.5681265817
  C        12.4597899656       10.6719424990       12.8100743728
  C        11.4875066446       10.4111035744       11.8355230387
  C        11.0699131038        9.1038353089       11.5751103228
  C        11.6211485892        8.0731938056       12.3364494548
  C        12.5806887522        8.3398668655       13.3206170444
  C        11.0324428172        6.6985718248       12.2140741214
  F        10.4950701652        6.4295799892       10.9928904306
  F        11.9212337443        5.6907637951       12.4707063761
  F        10.0103109460        6.5648689183       13.1295540780
  C        10.9087892749       11.5285865847       11.0140248379
  F         9.7348234022       11.1771809292       10.4086289228
  F        10.6297894536       12.6541911205       11.7348987657
  F        11.7549895450       11.8867838782        9.9853936045
  C        15.1762740993        8.7314277019       15.0528153703
  C        15.8110375508        8.5303681069       16.3027324591
  C        16.7454203469        7.5035282576       16.4920020393
  C        17.0648178813        6.6305346155       15.4461290216
  C        16.4630222174        6.8212135552       14.2084180672
  C        15.5533137755        7.8649149793       14.0117534014
  C        17.4410772213        7.2168593409       17.7966733725
  F        17.6083307262        8.3122060770       18.6165081896
  F        16.7935476887        6.2603439000       18.5497836288
  F        18.6978606285        6.7200721648       17.5387787721
  C        11.3915793459       13.4239929489       17.4133348566
  F        10.7924244301       13.6696030120       18.6181070537
  F        10.4743558432       13.7328954255       16.4280736906
  F        12.3990128222       14.3373579576       17.2418829490
  F        17.6204000309        4.8743185556       13.4801940240
  F        17.3847484929        6.5340820687       12.0262823040
  F        15.6533774027        5.3274755397       12.5433620213
  C        16.7829950098        5.8931196012       13.0757790267
  H        10.7491297028       11.2825568206       18.9821469501
  H        13.0903841854       12.4790954528       15.5789998378
  H        13.0446667271        8.3574109336       16.8076478788
  H        15.4834280828       11.9958531167       16.2505066173
  H        17.8100596667       13.9141824949       13.1754466686
  H        15.1643917799       10.6636326001       12.1771536537
  H        12.7555366623       11.7058956581       12.9858981373
  H        10.3111843685        8.8948958020       10.8273307363
  H        12.9609855264        7.5087042155       13.9123204230
  H        15.5776342529        9.1921568253       17.1365074860
  H        17.7723727965        5.8235504911       15.5961502591
  H        15.1238893003        7.9978267020       13.0197445206
  F         2.7236549407       18.6285970953       20.0826171116
  C         2.7180300876       18.2629341758       18.7458974823
  F         1.4074277814       18.0098674414       18.4129236407
  F         3.3657558887       17.0760483583       18.6337739726
  C         3.3097038521       19.3245179132       17.8802936858
  C         4.1593063529       19.0059434951       16.8163337363
  C         4.6733229252       19.9962706558       15.9544509692
  C         4.2527055317       21.3108759607       16.2062386953
  C         3.4041921215       21.6241601758       17.2725735227
  C         2.9215366128       20.6406363996       18.1275612748
  C         2.9088659212       23.0213815837       17.4266056975
  F         2.2966847526       23.2252372231       18.6249749293
  F         3.9051322166       23.9593287202       17.3085963598
  F         1.9884979030       23.2925485059       16.4297520280
  B         5.6015067138       19.6257534901       14.6589362961
  C         6.6248314977       18.3923218370       14.9836598915
  C         7.2300167548       18.2574270953       16.2484353973
  C         8.1989812438       17.2811079273       16.5034989374
  C         8.6015336588       16.3873724149       15.5104858309
  C         8.0153946579       16.5094665053       14.2527583765
  C         7.0576998212       17.4968490073       13.9917962728
  C         8.4126469765       15.5855509355       13.1447673630
  F         7.3128574281       15.0292113610       12.5390388228
  F         9.2155722392       14.5622946773       13.5673215799
  F         9.1135125074       16.2367151073       12.1641571946
  C         8.7681215079       17.1462025441       17.8801005341
  F         8.9095417085       18.3690237518       18.4851425570
  F        10.0085409478       16.5641870208       17.8936143951
  F         7.9609390531       16.3835338424       18.6996232417
  C         6.6177775012       20.8449135687       14.2427761654
  C         7.1950285706       21.6993891703       15.2011722963
  C         8.1264693172       22.6826640973       14.8483857683
  C         8.5393405083       22.8441730653       13.5221705285
  C         7.9984040563       21.9915744405       12.5610024049
  C         7.0587155085       21.0140759847       12.9170344571
  C         8.3884393363       22.1157617643       11.1146680555
  F         8.8219749209       20.8972374637       10.6291947725
  F         9.3726804741       23.0268363668       10.8623944988
  F         7.3233489421       22.5093279757       10.3373310115
  C         8.6684579454       23.5915627921       15.9104648118
  F         9.5912536483       24.4658180336       15.4074567020
  F         7.6914367119       24.3592643145       16.5004233957
  F         9.2710473659       22.8834821353       16.9350769282
  C         4.5281298951       19.2877838658       13.4640338522
  C         4.0377253773       17.9911290036       13.2339177587
  C         3.0685814953       17.7245262169       12.2559397986
  C         2.5339694389       18.7441166450       11.4756751492
  C         2.9914591942       20.0453069560       11.7031041413
  C         3.9579700039       20.3108534700       12.6775642347
  C         2.3888652693       21.1402271531       10.8787196993
  F         2.3729929608       20.7846388252        9.5386837738
  F         1.0827983659       21.4014188843       11.2184894987
  F         3.0421339177       22.3262010099       10.9954600854
  C         2.4976045070       16.3451977260       12.1542103759
  F         1.9326868749       16.0531627383       10.9415060418
  F         3.4298843190       15.3761668635       12.3950311566
  F         1.5215589061       16.1880845345       13.1201929008
  H         4.4207660490       17.9623850891       16.6524214041
  H         4.5853347229       22.1161470849       15.5535971035
  H         2.2503438424       20.8888860084       18.9449390608
  H         6.9453329436       18.9333630317       17.0537664585
  H         9.3405055142       15.6193341997       15.7146892199
  H         6.6422214363       17.5648184153       12.9873962130
  H         6.9121837352       21.6030253680       16.2493317416
  H         9.2521982334       23.6147203810       13.2473653153
  H         6.6590839349       20.3665101640       12.1376393148
  H         4.4096247975       17.1617544960       13.8333784822
  H         1.7755199172       18.5324353973       10.7262884812
  H         4.2754354872       21.3411220576       12.8262151250
  F        15.6824507890        1.2737688919       -0.2979932865
  C        15.7267285865        1.6341807924        1.0293850537
  F        17.0599890273        1.8959113081        1.2554154159
  F        15.0584698465        2.8179025094        1.1694294256
  C        15.1668918910        0.5593958868        1.9214179930
  C        14.2947472148        0.8681230661        2.9742934774
  C        13.7775204375       -0.1237997221        3.8365761971
  C        14.2107293884       -1.4383615853        3.5911582168
  C        15.0773895814       -1.7550261589        2.5332404869
  C        15.5616524618       -0.7629674337        1.6828436058
  C        15.5241422919       -3.1803654298        2.3728724568
  F        16.1169454771       -3.4495990991        1.1755322126
  F        14.4904587455       -4.0612318499        2.4963798527
  F        16.4255319100       -3.5212256525        3.3691819745
  B        12.8304272155        0.2560611244        5.1277204228
  C        11.7945043455        1.4823822041        4.7983482355
  C        11.2010287687        1.6286305651        3.5279567792
  C        10.2088053895        2.5848267277        3.2802129473
  C         9.7714304707        3.4412936679        4.2934743178
  C        10.3434194942        3.3090258969        5.5600356184
  C        11.3281049481        2.3454629143        5.8067636308
  C         9.8999795035        4.2071024299        6.6775208451
  F        10.9545764984        4.8783734986        7.2545338619
  F         8.9828413678        5.1299468380        6.2391627508
  F         9.3006122288        3.5290618474        7.7039968940
  C         9.6448588826        2.7472429626        1.8984458675
  F         9.5017809435        1.5424045062        1.2472857286
  F         8.4078603862        3.3411203145        1.9046673576
  F        10.4552272705        3.5264320793        1.1007607766
  C        11.8008526666       -0.9561278215        5.5498182135
  C        11.2417331436       -1.8288854569        4.5969497809
  C        10.2910910803       -2.7983377797        4.9405126353
  C         9.8372983328       -2.9246594289        6.2604022006
  C        10.3565508977       -2.0488803471        7.2190212580
  C        11.3186189808       -1.0907708325        6.8663661591
  C         9.9858789492       -2.1749439136        8.6756328475
  F         9.5970066846       -0.9776660392        9.2366193959
  F         8.9753645226       -3.0538997557        8.9359356170
  F        11.0812737471       -2.6074166899        9.3929828109
  C         9.7524359802       -3.6938538933        3.8569471128
  F         8.8186776573       -4.5669516956        4.3274497825
  F        10.7190919955       -4.4502959738        3.2313324815
  F         9.1421132197       -2.9675211975        2.8573121395
  C        13.8958884199        0.6131826190        6.3307522474
  C        14.3849590588        1.9138508987        6.5534496651
  C        15.3617236229        2.1876957274        7.5249968444
  C        15.8924418285        1.1694509927        8.3135582840
  C        15.4354095472       -0.1351389079        8.0970634048
  C        14.4647927463       -0.4044666456        7.1258705196
  C        16.0297453324       -1.2288872012        8.9362394228
  F        16.0360382081       -0.8730490846       10.2702823282
  F        17.3440331671       -1.4914297664        8.6463353310
  F        15.3743105843       -2.4155478106        8.8048225467
  C        15.9208289730        3.5765410646        7.6382978182
  F        16.4809299587        3.8554038148        8.8574306543
  F        14.9783744170        4.5346346561        7.4065952836
  F        16.8940480194        3.7861814494        6.6788205329
  H        14.0131294923        1.9081568440        3.1312512076
  H        13.8649835271       -2.2435558776        4.2385881309
  H        16.2316924552       -1.0110519245        0.8640664961
  H        11.5106772626        0.9742440961        2.7137987876
  H         9.0085718933        4.1878397412        4.0980664076
  H        11.7333704941        2.2650602946        6.8148418802
  H        11.5531120435       -1.7568390209        3.5552337264
  H         9.1145445192       -3.6878448553        6.5344973965
  H        11.7052033666       -0.4343939896        7.6454425301
  H        14.0035594334        2.7397838484        5.9542085414
  H        16.6446338266        1.3858497762        9.0679879792
  H        14.1414344743       -1.4340726133        6.9845549163
  H        11.2593905712        7.5575475411        3.9241677458
  H        11.5753685418        8.1423389828        6.2005023646
  H        11.3557226508        9.8688657804        3.2770283281
  H        11.5956911715       10.8212968696        5.7700759201
     648
 i =      20, E =    -4477.5464725050
 Rh         3.6575238087        0.2173771955        4.8535659498
  P         5.4009982654        0.6568234467        6.3049366686
  C         5.2336320769       -0.3206756525        7.8707443000
  C         4.8395372333       -1.7874449542        7.6051431355
  C         4.5175925019       -2.4989544649        8.9288316658
  C         5.6971476772       -2.4256114277        9.9079257578
  C         6.1620867558       -0.9781044067       10.1296725768
  C         6.4505296684       -0.2461634466        8.8056059874
  C         5.6534427143        2.4298676399        6.8188932209
  C         4.6537179792        2.8409412409        7.9203418330
  C         4.7019107620        4.3480619294        8.2142661686
  C         4.4827932543        5.1678950307        6.9405326219
  C         5.5429151884        4.8245518569        5.8916258226
  C         5.5365976484        3.3244390826        5.5632843266
  C         7.0186311614        0.1455531893        5.5260337037
  C         6.9734995134        0.2684842975        3.9925057870
  P         5.3159842973       -0.2503052947        3.3146080371
  C         5.5217353552       -2.0313288550        2.8185182432
  C         4.3859447787       -2.4453417940        1.8595895029
  C         4.3440181040       -3.9583709830        1.6142289522
  C         4.3006939196       -4.7512792502        2.9226751046
  C         5.5229130801       -4.4132593806        3.7801916266
  C         5.5681477026       -2.9091019268        4.0896117540
  C         5.0713130116        0.6819221933        1.7312728362
  C         4.7523127970        2.1698660144        1.9756895737
  C         4.3593177409        2.8498083682        0.6543373466
  C         5.4660623033        2.7022866521       -0.4002509681
  C         5.8347977680        1.2262016755       -0.6184875549
  C         6.2015766019        0.5199306651        0.7009406291
  C         1.9012114336        0.2521498657        3.4954714593
  C         1.8913343225       -0.9523145739        4.2037829013
  C         1.0637308332       -0.7088332549        5.4808650719
  C         1.9617111032        0.2513018315        6.2909034635
  C         1.9743823790        1.4567069517        5.5848926545
  C         1.0828266299        1.2515045322        4.3427946012
  C         0.0118842361        0.2930693602        4.9326242561
  H         4.3783820470        0.1625349325        8.3722098561
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  H        15.5224536562       10.6565596093       -1.5251351251
  H        13.1892280143        9.7081473443        8.1020645229
  H        13.0807948026        7.6338624561        6.6854467915
  H        14.7538277551        7.2840857860        7.0761824459
  H        13.1856471294        6.0390692154        8.5921772383
  H        12.4668811460        7.5568281479        9.1146108454
  H        14.1448424822        6.8214993717       10.7988797394
  H        15.3745442004        6.6724216150        9.5518624171
  H        15.7385137408        8.7970292110       10.7314666345
  H        14.0435110977        9.2587695820       10.5234719336
  H        16.1644340296        9.0101616164        8.3186091316
  H        15.4423914841       10.4942986690        8.9280629011
  H         9.9981955739        7.3482790716        6.6900493063
  H        10.0115330801       10.8955059266        3.2334949250
  H         9.0618451211        8.6036128929        2.9524945436
  H         7.9459838092        8.3439786138        5.3675338539
  H         7.9463012156       10.0631577603        4.8965324937
  H         9.4336735294        9.7280161765        7.1026893603
  H         9.7858134542        6.7240753644        4.4057117687
  H        10.0633083944       11.5206206902        5.4838004377
  F         8.4418521824       11.5252298947        1.4686581954
  C         7.1780784731       11.2075452481        1.0216862130
  F         6.4802768578       12.3734922301        1.0249738917
  F         7.3403377345       10.8259140377       -0.2925394580
  C         6.5359182095       10.1362928569        1.8559276114
  C         6.8760301622        8.8076283809        1.5872768447
  C         6.3856965068        7.8165757078        2.4350669415
  C         5.5454181755        8.1448913875        3.5116007276
  C         5.1527367950        9.4707251968        3.7818849355
  C         5.6928832304       10.4580600556        2.9278526508
  B         4.2447841578        9.8930563286        5.0937152545
  C         3.2091383194        8.7237290376        5.5852534211
  C         2.6155533174        7.8434095101        4.6738465798
  C         1.6914948595        6.8687570530        5.0680354961
  C         1.3019722434        6.7330743566        6.4022057987
  C         1.8648084843        7.6218070951        7.3267655785
  C         2.7823197866        8.5989530423        6.9215787674
  C         1.5596999652        7.5258985947        8.7960834303
  F         0.5652143252        6.6434181327        9.0915072197
  F         2.6716818306        7.1585953332        9.5290586526
  F         1.1749132758        8.7326266891        9.3149751845
  C         1.2163127138        5.9696349621        3.9705856907
  F         2.2498840700        5.2403468821        3.4430823660
  F         0.2605627279        5.0671876778        4.3281145218
  F         0.7215041667        6.7239699562        2.9277845739
  C         5.3083165858       10.2246845313        6.2791124953
  C         5.7920070561        9.1800496196        7.0780568515
  C         6.7102699957        9.3900254878        8.1054679614
  C         7.1880900797       10.6773297305        8.3862240540
  C         6.7548197222       11.7304250903        7.5714074553
  C         5.8408105005       11.4983877878        6.5320287185
  C         7.3139952927       13.1242354345        7.7118316296
  F         7.8401148985       13.4115018909        8.9407113552
  F         6.3617316196       14.0755674221        7.4142469515
  F         8.3386027336       13.3435645120        6.8144365387
  C         7.1854245072        8.1716719888        8.8439983180
  F         8.3828096429        8.3730071871        9.4665654316
  F         7.3566269845        7.1090465329        7.9944143688
  F         6.3031806844        7.7466177798        9.8153038889
  C         3.2447352403       11.1403442490        4.7903830378
  C         2.6288718796       11.2819731786        3.5371641391
  C         1.6713290915       12.2681850360        3.2958581531
  C         1.2917423320       13.1742750803        4.2890045519
  C         1.8939521868       13.0468682388        5.5387859559
  C         2.8364226100       12.0407266816        5.7881553302
  C         1.1051805802       12.3795621027        1.9207743762
  F         1.0144665964       11.1563363300        1.3139356072
  F         1.8929108987       13.1549738677        1.0992813620
  F        -0.1579306289       12.9019071119        1.9049312162
  C         6.7996515575        6.3868111471        2.2127418975
  F         7.6091067998        6.2358882325        1.1160102370
  F         7.4949402749        5.8860430307        3.2972485215
  F         5.7153674621        5.5574746304        2.0527941541
  F         0.7806883199       15.0420066076        6.3006059442
  F         0.9667250393       13.3742004099        7.7039232653
  F         2.7527147956       14.5659589179        7.1205256692
  C         1.5900180816       14.0025652390        6.6525848867
  H         7.5257185261        8.5548121322        0.7541832187
  H         5.1905330434        7.3419218959        4.1568383963
  H         5.4512140942       11.5050891002        3.1060037383
  H         2.8814489728        7.9043137945        3.6196886571
  H         0.6052125193        5.9591236281        6.7112875659
  H         3.1861327856        9.2686577785        7.6796100844
  H         5.4521258120        8.1639102073        6.8873598010
  H         7.8926030474       10.8523951782        9.1927332546
  H         5.5312645827       12.3387472101        5.9128811709
  H         2.8935096959       10.6006693254        2.7305321502
  H         0.5612653667       13.9517307241        4.0918057782
  H         3.2626716842       11.9682429362        6.7879993263
  F         9.9774192963        8.3852667553       18.4800381972
  C        11.2737393203        8.6515421906       18.8587036023
  F        11.9367648230        7.4657633408       18.8393312301
  F        11.2158183400        9.0223311641       20.1779315284
  C        11.8712188735        9.7160705532       17.9828004662
  C        11.4334284231       11.0318770682       18.1759405635
  C        11.8847832550       12.0102095016       17.2906573389
  C        12.7642777881       11.6847639440       16.2488895138
  C        13.2326437477       10.3752689293       16.0453672614
  C        12.7447834915        9.3959041383       16.9375250688
  B        14.1550419471        9.9817873442       14.7477717050
  C        15.1709848890       11.1824814945       14.2743028716
  C        15.7646151129       12.0587372708       15.1992705413
  C        16.7066774125       13.0227375864       14.8170794876
  C        17.1016028820       13.1465897577       13.4762593187
  C        16.5337650094       12.2745553404       12.5350094621
  C        15.5916276276       11.3162368070       12.9355945121
  C        16.8509499781       12.3907691282       11.0589674658
  F        17.8552687441       13.2671751827       10.7833970119
  F        15.7467991205       12.8175049240       10.3423501620
  F        17.2297919724       11.1908502260       10.4929924246
  C        17.2382379349       13.9419130746       15.8885392125
  F        16.2466242012       14.6705202303       16.4956677375
  F        18.1492943036       14.8394205560       15.4043471931
  F        17.8376763781       13.2535022689       16.9286330804
  C        13.0554506683        9.6420280687       13.5673210375
  C        12.4590079029       10.6717318554       12.8097654148
  C        11.4874723678       10.4108901436       11.8345128446
  C        11.0703291561        9.1035825470       11.5734257676
  C        11.6213246515        8.0730524774       12.3351110971
  C        12.5809726707        8.3395783563       13.3191458388
  C        11.0324763282        6.6985506021       12.2136278736
  F        10.4949940887        6.4294746758       10.9926956729
  F        11.9212145459        5.6907532351       12.4706702410
  F        10.0104351541        6.5649605333       13.1294500391
  C        10.9088271392       11.5286198469       11.0132265990
  F         9.7345158893       11.1772156928       10.4085262566
  F        10.6298894143       12.6540821826       11.7347643090
  F        11.7548348540       11.8866729773        9.9846025417
  C        15.1755049308        8.7313607538       15.0533376540
  C        15.8097332520        8.5300297997       16.3035221654
  C        16.7445012597        7.5034485232       16.4927071718
  C        17.0642942697        6.6306809053       15.4467942950
  C        16.4637169328        6.8223691840       14.2086905829
  C        15.5537002279        7.8657257843       14.0120904913
  C        17.4407835593        7.2168000997       17.7969798335
  F        17.6083119423        8.3122194564       18.6166384899
  F        16.7935076956        6.2601803632       18.5499733891
  F        18.6976617422        6.7201192641       17.5387490125
  C        11.3912619561       13.4238905922       17.4119916355
  F        10.7927666682       13.6696763465       18.6173713013
  F        10.4737973382       13.7328954464       16.4276567980
  F        12.3987360004       14.3371049358       17.2399094507
  F        17.6198392258        4.8746501651       13.4798953116
  F        17.3851761792        6.5344449618       12.0261353220
  F        15.6532017682        5.3296363735       12.5431913278
  C        16.7832847898        5.8944676529       13.0757892199
  H        10.7486855693       11.2830231373       18.9813960888
  H        13.0894332764       12.4783884473       15.5775562790
  H        13.0434492890        8.3570242615       16.8072530514
  H        15.4818537115       11.9966179878       16.2493353377
  H        17.8103503998       13.9125278495       13.1741926596
  H        15.1644498905       10.6616637636       12.1767502499
  H        12.7536235625       11.7058576134       12.9864707718
  H        10.3122722801        8.8945945474       10.8249462687
  H        12.9616373303        7.5081177130       13.9101525689
  H        15.5755957555        9.1913321800       17.1374979240
  H        17.7708269457        5.8228517623       15.5971763303
  H        15.1245599292        7.9987503085       13.0199960050
  F         2.7240013122       18.6284166400       20.0823158360
  C         2.7227488644       18.2626713134       18.7454996046
  F         1.4121595381       18.0100814807       18.4104835950
  F         3.3674910877       17.0744862541       18.6343605419
  C         3.3176882485       19.3245432830       17.8818226043
  C         4.1651688166       19.0067488825       16.8159290763
  C         4.6764833613       19.9976780807       15.9529692750
  C         4.2544847320       21.3118309376       16.2050136463
  C         3.4066048645       21.6243720103       17.2722838991
  C         2.9278935798       20.6403529380       18.1289138077
  C         2.9092809739       23.0211553493       17.4264589479
  F         2.2968088485       23.2249977472       18.6248186908
  F         3.9051705123       23.9594592073       17.3085833177
  F         1.9886245526       23.2923824414       16.4297857589
  B         5.6036183995       19.6269268650       14.6567660065
  C         6.6262202820       18.3932651497       14.9826553410
  C         7.2306729974       18.2580667814       16.2477989269
  C         8.1988577310       17.2811058062       16.5034302310
  C         8.6010733869       16.3869145060       15.5106772566
  C         8.0154597722       16.5092315641       14.2527492486
  C         7.0585966483       17.4971963672       13.9912550244
  C         8.4126791496       15.5854133789       13.1447724860
  F         7.3128514623       15.0291839822       12.5390257618
  F         9.2155919362       14.5622174757       13.5673176418
  F         9.1135047998       16.2366919357       12.1642029880
  C         8.7680110102       17.1462307420       17.8800896677
  F         8.9095234084       18.3690195651       18.4851283542
  F        10.0084971933       16.5641945867       17.8935979877
  F         7.9609148430       16.3835220688       18.6996324192
  C         6.6198283775       20.8459518556       14.2401077041
  C         7.1970211202       21.6999618391       15.1988077983
  C         8.1281108417       22.6836672256       14.8467890657
  C         8.5416413379       22.8460895788       13.5207035334
  C         8.0006779701       21.9936357248       12.5593862769
  C         7.0607840592       21.0161384539       12.9146889707
  C         8.3893372050       22.1165550481       11.1130295256
  F         8.8220598615       20.8971704357       10.6289355747
  F         9.3729575887       23.0273686906       10.8598433975
  F         7.3231639892       22.5092977895       10.3369835550
  C         8.6688515182       23.5918289726       15.9100437831
  F         9.5915327736       24.4661189710       15.4075302157
  F         7.6915117335       24.3591687041       16.5002897637
  F         9.2710198703       22.8835096500       16.9348890630
  C         4.5294777341       19.2881894581       13.4627340299
  C         4.0391241130       17.9914287637       13.2327247843
  C         3.0691912678       17.7247219133       12.2554876241
  C         2.5342218314       18.7443700105       11.4755149335
  C         2.9915751080       20.0455908910       11.7029863038
  C         3.9583223341       20.3113049273       12.6771299591
  C         2.3888041749       21.1403639763       10.8786862906
  F         2.3729760057       20.7846692572        9.5386739855
  F         1.0827574107       21.4014427301       11.2184897284
  F         3.0421166076       22.3262809190       10.9954393325
  C         2.4978033772       16.3453907304       12.1541343865
  F         1.9327114845       16.0532117420       10.9415136074
  F         3.4298964713       15.3762061446       12.3950295106
  F         1.5216871801       16.1882366006       13.1201535302
  H         4.4255788785       17.9630857423       16.6507168546
  H         4.5856646694       22.1173040672       15.5518865446
  H         2.2562475556       20.8871399200       18.9463554159
  H         6.9459983464       18.9340898028       17.0530665333
  H         9.3394966716       15.6184588642       15.7152331121
  H         6.6433913421       17.5652475292       12.9867750386
  H         6.9142006254       21.6028872585       16.2468518619
  H         9.2545303480       23.6169892193       13.2465837874
  H         6.6609310734       20.3693592973       12.1347828758
  H         4.4115369786       17.1619786610       13.8317347089
  H         1.7754090223       18.5328149149       10.7264442178
  H         4.2751343507       21.3416972684       12.8263252292
  F        15.6821895766        1.2737105088       -0.2986951555
  C        15.7270427160        1.6341255263        1.0283363897
  F        17.0602717351        1.8959390405        1.2537936554
  F        15.0585705404        2.8177975482        1.1692606085
  C        15.1679972937        0.5593160581        1.9208347518
  C        14.2959015603        0.8681062892        2.9738570015
  C        13.7777305120       -0.1237404068        3.8358516011
  C        14.2104580487       -1.4382619096        3.5897109958
  C        15.0776839295       -1.7550361721        2.5323127400
  C        15.5626524423       -0.7631111689        1.6820828865
  C        15.5242935901       -3.1804512501        2.3725314972
  F        16.1170049035       -3.4498091208        1.1753268602
  F        14.4904487536       -4.0612059359        2.4962290780
  F        16.4255221583       -3.5211913731        3.3690455669
  B        12.8299620072        0.2558497223        5.1273819711
  C        11.7943187043        1.4828967242        4.7971564336
  C        11.1998823822        1.6281832503        3.5263477892
  C        10.2044393926        2.5812155338        3.2783027903
  C         9.7707368107        3.4398497429        4.2923458066
  C        10.3438355765        3.3091911696        5.5589663221
  C        11.3281441542        2.3454331582        5.8062426786
  C         9.9003495776        4.2074215501        6.6770741836
  F        10.9545340552        4.8785916081        7.2543634984
  F         8.9827968274        5.1299363627        6.2392031752
  F         9.3007765275        3.5291121936        7.7037032792
  C         9.6308532489        2.7443684091        1.8982020809
  F         9.4421248594        1.5441062308        1.2479285721
  F         8.4033705315        3.3463844485        1.9065849184
  F        10.4514483269        3.5196008337        1.1011956402
  C        11.7988948840       -0.9559501575        5.5502845667
  C        11.2409705871       -1.8296885225        4.5976788797
  C        10.2891958153       -2.7981590469        4.9407567160
  C         9.8326133059       -2.9233739429        6.2599557374
  C        10.3515102741       -2.0475736566        7.2187302765
  C        11.3142639000       -1.0897908367        6.8661861638
  C         9.9848773711       -2.1748551073        8.6764093923
  F         9.5971003292       -0.9773699625        9.2371176985
  F         8.9753015559       -3.0537369758        8.9399071797
  F        11.0827422330       -2.6073096768        9.3908538968
  C         9.7520609473       -3.6939682479        3.8569244589
  F         8.8184953165       -4.5671616916        4.3273758600
  F        10.7190352950       -4.4501849945        3.2314534612
  F         9.1420291951       -2.9675522997        2.8571919561
  C        13.8955965935        0.6127104565        6.3307855390
  C        14.3848324021        1.9133755618        6.5534535370
  C        15.3616679566        2.1874550013        7.5249091294
  C        15.8924395564        1.1692559744        8.3135062696
  C        15.4352406932       -0.1353175665        8.0971480878
  C        14.4644034210       -0.4048653424        7.1261642930
  C        16.0296902265       -1.2289902030        8.9363159546
  F        16.0360366547       -0.8730703557       10.2703312823
  F        17.3440237337       -1.4914340943        8.6463542519
  F        15.3742963850       -2.4156130129        8.8048259931
  C        15.9208045984        3.5763713562        7.6382334136
  F        16.4809198062        3.8553496621        8.8573648304
  F        14.9784343490        4.5345037307        7.4065425287
  F        16.8940581056        3.7861557057        6.6787977332
  H        14.0145743523        1.9081860919        3.1308147715
  H        13.8638359054       -2.2435026183        4.2364618604
  H        16.2325632815       -1.0114999011        0.8631536874
  H        11.5115519958        0.9737802021        2.7130422118
  H         9.0084428882        4.1873732186        4.0982430231
  H        11.7328492717        2.2648504194        6.8147655318
  H        11.5540420540       -1.7589801565        3.5563977976
  H         9.1093980491       -3.6864717985        6.5335776031
  H        11.7005783072       -0.4336878336        7.6455569132
  H        14.0033096660        2.7392380945        5.9542570174
  H        16.6447392466        1.3857191222        9.0678910516
  H        14.1410580644       -1.4345630162        6.9854164391
  H        11.3107981901        7.5416818092        4.0455249690
  H        11.5093627324        8.1863304604        6.3279039569
  H        11.3917765392        9.8244919393        3.2805731241
  H        11.5501312964       10.7514547032        5.8226530549
     648
 i =      20, E =    -4477.5488827767
 Rh         3.6573474766        0.2177935503        4.8535599642
  P         5.4006985590        0.6573237965        6.3051218955
  C         5.2334000610       -0.3204138251        7.8707946854
  C         4.8391842522       -1.7871248179        7.6050703684
  C         4.5173042864       -2.4987214072        8.9287283742
  C         5.6969604333       -2.4255655900        9.9077143767
  C         6.1620878625       -0.9781284237       10.1295220716
  C         6.4504476210       -0.2460976607        8.8054878702
  C         5.6529791127        2.4302909629        6.8193660950
  C         4.6528490567        2.8411425347        7.9205230778
  C         4.7009989410        4.3481866322        8.2148196827
  C         4.4824706674        5.1683572442        6.9412050207
  C         5.5429292089        4.8251196492        5.8926013215
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  H        16.8202399857       10.3903700072        5.8404933353
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  H        10.0670550352       11.5344794416        5.4177971596
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  F         7.3403033443       10.8258882455       -0.2923681252
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  C         6.8786111710        8.8081455755        1.5900597205
  C         6.3858350310        7.8167393877        2.4358814491
  C         5.5424711946        8.1447123581        3.5101722978
  C         5.1497627774        9.4705383907        3.7802418005
  C         5.6901480366       10.4580208292        2.9265285989
  B         4.2437343806        9.8929225684        5.0932482474
  C         3.2083162869        8.7238136678        5.5854684098
  C         2.6143396936        7.8437540158        4.6740905423
  C         1.6908263316        6.8686751873        5.0682930035
  C         1.3015474654        6.7327584885        6.4025198553
  C         1.8645085177        7.6215458135        7.3269551974
  C         2.7820054583        8.5987200266        6.9218598703
  C         1.5596186320        7.5257638238        8.7962284043
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  F         2.6716863147        7.1585755544        9.5290866011
  F         1.1749366440        8.7325869036        9.3150028954
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  F         0.2604739955        5.0671022065        4.3280935919
  F         0.7214578245        6.7239459086        2.9277692474
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  C         5.7931759385        9.1794245482        7.0762535593
  C         6.7088381441        9.3899410311        8.1059364979
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  C         5.8405688229       11.4981459625        6.5315825693
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  F         6.3616139937       14.0756939418        7.4142177039
  F         8.3383390801       13.3434057400        6.8145789773
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  F         7.3564836385        7.1091046218        7.9944628154
  F         6.3030033759        7.7464659449        9.8155615650
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  C         2.6276779483       11.2819503478        3.5377320524
  C         1.6705473298       12.2683923562        3.2961490431
  C         1.2909119881       13.1745257291        4.2892861391
  C         1.8931647593       13.0468415183        5.5390301871
  C         2.8353008260       12.0405074582        5.7886616418
  C         1.1050539469       12.3796715533        1.9207991488
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  F         1.8928953267       13.1549626202        1.0993390876
  F        -0.1580357759       12.9019626726        1.9048641284
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  F         7.4951111166        5.8859745065        3.2973714183
  F         5.7153948496        5.5575507204        2.0528547928
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  F         0.9666651689       13.3742206494        7.7040421695
  F         2.7526436656       14.5659317948        7.1204900502
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  H         7.5296780870        8.5555108964        0.7580414386
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  H         3.2612381300       11.9680569017        6.7886501075
  F         9.9772781335        8.3852080179       18.4800438859
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  F        11.2158051719        9.0223560975       20.1778019225
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  C        11.4329418759       11.0318973633       18.1757001632
  C        11.8842636471       12.0101357362       17.2903140863
  C        12.7633051828       11.6845706593       16.2482270795
  C        13.2315829905       10.3750799147       16.0446585886
  C        12.7438468122        9.3957785106       16.9369453853
  B        14.1542910584        9.9815474370       14.7473853621
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  C        15.7638143581       12.0588063105       15.1989516484
  C        16.7063235109       13.0225089509       14.8169739683
  C        17.1014861847       13.1459430923       13.4761706841
  C        16.5336720975       12.2739112146       12.5349171916
  C        15.5915362447       11.3154999076       12.9354063604
  C        16.8509195152       12.3905370794       11.0589134106
  F        17.8552276489       13.2671198972       10.7834320161
  F        15.7468394215       12.8174487325       10.3424032916
  F        17.2298300538       11.1907496456       10.4928946428
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  F        18.1492235993       14.8393376516       15.4043242792
  F        17.8376335146       13.2534634949       16.9285809936
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  C        12.4581077483       10.6715597930       12.8094191715
  C        11.4872705679       10.4106674363       11.8335255899
  C        11.0705290841        9.1033130788       11.5718763454
  C        11.6213598319        8.0729289707       12.3339071100
  C        12.5811077640        8.3393878325       13.3178187067
  C        11.0324615860        6.6984945392       12.2132431687
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  F        11.9211973789        5.6907442721       12.4706390738
  F        10.0105169647        6.5650154725       13.1293672361
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  F        10.6299791128       12.6539699948       11.7346126261
  F        11.7547531892       11.8865468056        9.9838323569
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  C        15.8084590460        8.5295362738       16.3039549309
  C        16.7435236430        7.5031557078       16.4930716066
  C        17.0631488257        6.6302007604       15.4472570498
  C        16.4632102192        6.8222241789       14.2088839790
  C        15.5534409118        7.8658061051       14.0122048780
  C        17.4404780598        7.2167161334       17.7970640383
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  F        16.7934777293        6.2600551113       18.5500982021
  F        18.6974762186        6.7201496395       17.5386503383
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  F        10.4737260140       13.7329420625       16.4276143950
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  F        17.3851424374        6.5344720566       12.0262098032
  F        15.6531436476        5.3296764907       12.5431331346
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  H        10.7482517895       11.2831323529       18.9811771084
  H        13.0882579068       12.4781295900       15.5767505549
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  H        12.9621500248        7.5076516968       13.9081728945
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  H        17.7690767482        5.8219074967       15.5980346579
  H        15.1248661430        7.9993768062       13.0199357476
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  F         3.3677622494       17.0739790572       18.6345575763
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  C         3.4077952119       21.6243183247       17.2724888262
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  C         8.1988225745       17.2810399885       16.5034000214
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  C         7.0592273975       17.4974298838       13.9909054714
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  F        10.0084658722       16.5641983010       17.8935929726
  F         7.9609019360       16.3835144397       18.6996425650
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  C         8.0012261102       21.9943240969       12.5591082263
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  F         7.3231704910       22.5093304975       10.3369312969
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  F         7.6915349472       24.3591432310       16.5002552804
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  C         2.3887427013       21.1404062421       10.8787082118
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  F        14.4904988815       -4.0611907694        2.4960775520
  F        16.4255004582       -3.5211294057        3.3689606276
  B        12.8303533998        0.2551376421        5.1288049196
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  C        11.2059124463        1.6320866859        3.5316199991
  C        10.2165787211        2.5907325692        3.2830478567
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  C        10.3443423858        3.3096866946        5.5625915235
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  C         9.9002845913        4.2077416976        6.6789259247
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  F         8.4143398342        3.3343378651        1.9023507746
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  C        11.2409597907       -1.8301974515        4.5981256314
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  F         8.9751659727       -3.0537437067        8.9400695935
  F        11.0826388742       -2.6072715518        9.3906465543
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  C        14.3848682660        1.9128621575        6.5535724313
  C        15.3616996640        2.1872460364        7.5249214097
  C        15.8925024422        1.1690915880        8.3135481907
  C        15.4353268164       -0.1355102463        8.0974978450
  C        14.4644485252       -0.4054575123        7.1268162101
  C        16.0297204031       -1.2290843965        8.9364893383
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  F        17.3440569830       -1.4914577862        8.6463822792
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  F        14.9784913860        4.5343780766        7.4064901279
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  H        16.2324964510       -1.0115144071        0.8628002059
  H        11.5141541880        0.9776234722        2.7172585695
  H         9.0099753399        4.1889628552        4.0994814598
  H        11.7330573287        2.2655339515        6.8186150471
  H        11.5550488690       -1.7605663142        3.5570764071
  H         9.1063528437       -3.6843911263        6.5332998481
  H        11.6981053176       -0.4321947021        7.6454786288
  H        14.0030523664        2.7386079048        5.9542983277
  H        16.6448268529        1.3856263862        9.0678273360
  H        14.1407889781       -1.4351087774        6.9862862845
  H        11.3534271849        7.5305934187        4.1607570903
  H        11.4425854360        8.2288319982        6.4416052506
  H        11.4241754947        9.7812225987        3.2849658820
  H        11.5174256528       10.7046129405        5.8475607053
     648
 i =      20, E =    -4477.5503555110
 Rh         3.6571117456        0.2182423282        4.8536016873
  P         5.4003973893        0.6578462807        6.3053177527
  C         5.2331571745       -0.3201267455        7.8708500833
  C         4.8388181196       -1.7867800141        7.6050026891
  C         4.5170092483       -2.4984755151        8.9286243983
  C         5.6967701478       -2.4255101941        9.9074985530
  C         6.1620930148       -0.9781419599       10.1293683705
  C         6.4503563736       -0.2460227080        8.8053661861
  C         5.6524993239        2.4307209542        6.8198562309
  C         4.6519483443        2.8413484268        7.9207116684
  C         4.7000504687        4.3483131858        8.2154007661
  C         4.4821339308        5.1688388302        6.9419083212
  C         5.5429401768        4.8257077078        5.8936100884
  C         5.5363997768        3.3257416095        5.5645135490
  C         7.0181902792        0.1467597674        5.5266324241
  C         6.9732927311        0.2693649296        3.9931154111
  P         5.3159836588       -0.2495429411        3.3150793671
  C         5.5214198296       -2.0305507106        2.8186909243
  C         4.3857685343       -2.4441684640        1.8593751497
  C         4.3432107472       -3.9572306341        1.6140943396
  C         4.2992407551       -4.7500535876        2.9225899432
  C         5.5214115252       -4.4125451661        3.7803933707
  C         5.5672016521       -2.9083912597        4.0897848066
  C         5.0727347829        0.6833291882        1.7319106222
  C         4.7517885153        2.1707935037        1.9765615139
  C         4.3591407744        2.8507704030        0.6551313099
  C         5.4667143639        2.7044345361       -0.3987754141
  C         5.8372536300        1.2288063154       -0.6170164919
  C         6.2045709457        0.5227841032        0.7025508792
  C         1.9004947222        0.2494456574        3.4958567796
  C         1.8920472833       -0.9540443612        4.2058870938
  C         1.0643932057       -0.7096745647        5.4827688440
  C         1.9614835924        0.2525492208        6.2912962463
  C         1.9727656285        1.4569454316        5.5836040602
  C         1.0811809100        1.2490772945        4.3419654537
  C         0.0113572879        0.2903203195        4.9333094052
  H         4.3781288670        0.1630237356        8.3727348772
  H         5.6665350599       -2.3082181378        7.1010069577
  H         3.9778295744       -1.8291987615        6.9198204820
  H         4.2436392959       -3.5451496099        8.7350351185
  H         3.6309547387       -2.0269774377        9.3785638766
  H         5.4174863049       -2.8823468352       10.8682174855
  H         6.5319708419       -3.0231783339        9.5168007067
  H         7.0661191379       -0.9581585397       10.7560422573
  H         5.3796836893       -0.4293412792       10.6768702799
  H         6.7338854796        0.7954467309        9.0062090290
  H         7.3129366869       -0.7119612122        8.3109095154
  H         6.6735023684        2.5120131008        7.2268299184
  H         4.8568083007        2.2803842258        8.8421984660
  H         3.6307014397        2.5699647462        7.6170155374
  H         5.6754789896        4.6081636690        8.6516379615
  H         3.9429718920        4.5944235162        8.9732303157
  H         4.4960394035        6.2425902972        7.1750152009
  H         3.4818727273        4.9619159705        6.5339828516
  H         6.5332307826        5.1262580154        6.2617297318
  H         5.3688341489        5.3851020875        4.9639095072
  H         6.3503643949        3.0962340214        4.8610646338
  H         4.6000148709        3.0742939125        5.0402091111
  H         7.8456681027        0.7343377788        5.9498735863
  H         7.1878733554       -0.8981637309        5.8225279810
  H         7.7765037449       -0.3152318801        3.5217309248
  H         7.1176390825        1.3152406676        3.6874960481
  H         6.4850406626       -2.1204529004        2.2917831000
  H         4.4977089039       -1.9226055897        0.8987678963
  H         3.4183725924       -2.1211471098        2.2680698864
  H         5.2343914742       -4.2566647960        1.0441677429
  H         3.4739545504       -4.1929082121        0.9864075104
  H         4.2514723320       -5.8263272879        2.7071954084
  H         3.3786376717       -4.5129993856        3.4771042776
  H         5.5090288753       -4.9686201205        4.7292890288
  H         6.4365912235       -4.7148843758        3.2514480349
  H         6.4707914472       -2.6754632335        4.6714169404
  H         4.7088362408       -2.6473054336        4.7294440499
  H         4.1628598017        0.2199809352        1.3144975616
  H         5.6311599479        2.6786440482        2.4000994851
  H         3.9462359205        2.2648265090        2.7212800473
  H         4.1324081069        3.9110611269        0.8336986849
  H         3.4303999717        2.3953314724        0.2796599216
  H         6.3568346899        3.2615821416       -0.0709600823
  H         5.1500787445        3.1598915393       -1.3484164960
  H         6.6783020853        1.1446192694       -1.3210779317
  H         4.9838442208        0.7063661555       -1.0785511426
  H         7.1293929606        0.9585673743        1.1041335518
  H         6.4136988976       -0.5382628509        0.5130479870
  H         2.1386113852        0.3870965488        2.4450053177
  H         2.1402210652       -1.9427094354        3.8301574054
  H         0.7191052633       -1.6024309575        6.0093781852
  H         2.2432323858        0.1010357540        7.3292194740
  H         2.2774517748        2.4325377717        5.9523255425
  H         0.7501310497        2.1570657345        3.8314647892
  H        -0.5902870918        0.7551714664        5.7201447826
  H        -0.6367743015       -0.1514644128        4.1692095061
 Rh        14.7463699097       19.6472482810       14.9432419592
  P        13.0067452960       19.2219080122       13.4813278101
  C        13.1760000663       20.2175753901       11.9251631858
  C        13.5441868123       21.6882494046       12.2038826102
  C        13.8476567303       22.4209018933       10.8864062428
  C        12.6673881542       22.3351309971        9.9090312757
  C        12.2369392776       20.8804814278        9.6691559851
  C        11.9647361050       20.1278456724       10.9844674124
  C        12.7285421710       17.4651161298       12.9240579754
  C        13.7683519455       17.0418862143       11.8654383025
  C        13.6725587295       15.5486042527       11.5138530375
  C        13.7489866126       14.6664355281       12.7632463025
  C        12.6434113466       15.0469032938       13.7524155619
  C        12.7425638598       16.5276595025       14.1514430625
  C        11.3886800512       19.7358691076       14.2605887693
  C        11.4282455762       19.6082533470       15.7937894032
  P        13.0864750945       20.1135385057       16.4795144733
  C        12.8810020721       21.8843892499       17.0134212433
  C        14.0047430778       22.2806274600       17.9941888942
  C        14.0218465286       23.7853640206       18.2920670009
  C        14.0709657170       24.6169210042       17.0077257272
  C        12.8649092921       24.2900212681       16.1225462349
  C        12.8425829212       22.7954098881       15.7657884723
  C        13.3323853162       19.1504223674       18.0434159644
  C        13.6152466530       17.6619893256       17.7630736188
  C        14.0086919439       16.9398545824       19.0614692632
  C        12.9303402466       17.1006630966       20.1438671780
  C        12.6037037008       18.5815958248       20.3952068468
  C        12.2232019715       19.3156523568       19.0953116292
  C        16.4966165471       19.6057752628       16.3081166951
  C        16.4995144367       20.8209868821       15.6181304841
  C        17.3366483602       20.6035091891       14.3424321463
  C        16.4515333280       19.6470491097       13.5137149817
  C        16.4454092323       18.4319850364       14.2018578164
  C        17.3286587450       18.6264413409       15.4509621535
  C        18.3952953972       19.6030753372       14.8825722815
  H        14.0415734212       19.7514555678       11.4253465280
  H        12.7089063018       22.1893024265       12.7159705405
  H        14.4063144076       21.7395732401       12.8869386329
  H        14.0987776390       23.4707357164       11.0914372357
  H        14.7425004659       21.9738240458       10.4286804922
  H        12.9325034133       22.8124806033        8.9539543260
  H        11.8189180355       22.9064780099       10.3103268504
  H        11.3325973336       20.8470978364        9.0435212695
  H        13.0315740542       20.3560883816        9.1152630806
  H        11.7079516526       19.0826544522       10.7700934383
  H        11.0887120284       20.5667049619       11.4800867518
  H        11.7265747884       17.4307402405       12.4655575375
  H        13.6401533771       17.6388007036       10.9527842025
  H        14.7811302093       17.2591127880       12.2336651557
  H        12.7233581101       15.3541739412       10.9948948809
  H        14.4734273083       15.2931563026       10.8055267113
  H        13.6730270528       13.6073439284       12.4782514268
  H        14.7313665000       14.7799084840       13.2454003548
  H        11.6627190899       14.8478076245       13.2990180729
  H        12.6980622183       14.4317469065       14.6608004864
  H        11.9194790046       16.7850810210       14.8344276786
  H        13.6744635935       16.6941546799       14.7156452521
  H        10.5599650648       19.1526755986       13.8335866590
  H        11.2234595560       20.7825132068       13.9679311733
  H        10.6269366379       20.1959156037       16.2645595657
  H        11.2766094554       18.5623445266       16.0954241218
  H        11.9122600497       21.9585166448       17.5337798480
  H        13.8970909260       21.7234362959       18.9348406687
  H        14.9795235388       21.9888348221       17.5797820566
  H        13.1214791109       24.0550669994       18.8623914192
  H        14.8818592284       24.0117260417       18.9361966923
  H        14.1006617675       25.6867431418       17.2548535751
  H        15.0020954622       24.4078643275       16.4598939130
  H        12.8813475489       24.8775704070       15.1928517371
  H        11.9384863113       24.5635038592       16.6476815168
  H        11.9499419239       22.5692353835       15.1646736047
  H        13.7122296170       22.5621137330       15.1307311621
  H        14.2586185000       19.5867845191       18.4538736493
  H        12.7185716337       17.1851679983       17.3400305893
  H        14.4087759305       17.5662273254       17.0052687125
  H        14.1894066778       15.8761462782       18.8508534269
  H        14.9628929463       17.3492511520       19.4270518503
  H        12.0173070890       16.5739842950       19.8291712347
  H        13.2562279902       16.6214687967       21.0783342025
  H        11.7818490338       18.6742777262       21.1205634841
  H        13.4797917951       19.0762951640       20.8448936837
  H        11.2835010177       18.9036441623       18.7048616933
  H        12.0376408227       20.3768723587       19.3048545362
  H        16.2542778682       19.4493637303       17.3553614715
  H        16.2439753236       21.8013128755       16.0102675768
  H        17.6777023481       21.5072588922       13.8319516447
  H        16.1711556803       19.8139359470       12.4778158216
  H        16.1480926969       17.4603411586       13.8176440239
  H        17.6633787459       17.7126694595       15.9480143106
  H        19.0062447242       19.1560082554       14.0920452441
  H        19.0351017270       20.0374778983       15.6588379711
 Rh         5.8945162871       10.0447997985       15.0416932526
  P         4.0904974127        9.6545060103       13.6450190078
  C         3.7238195029        7.8864087004       13.1856012806
  C         3.8314749149        6.9931460901       14.4402727033
  C         3.7713285525        5.4943216111       14.1069808765
  C         4.8164513884        5.1113391919       13.0577071124
  C         4.5936095639        5.9239154780       11.7825357269
  C         4.6747617629        7.4301622119       12.0671557076
  C         2.5175742520       10.2669096088       14.4338915047
  C         2.5844493052       10.1415702937       15.9639119934
  P         4.2800978031       10.5830311751       16.6001909506
  C         4.1404574061       12.3664330917       17.0970103968
  C         4.0901985444       13.2434961874       15.8257404519
  C         4.1467469174       14.7456168662       16.1393688279
  C         5.3762140744       15.0714657377       16.9907051378
  C         5.3467154437       14.2670612225       18.2923687694
  C         5.3012042408       12.7572739372       18.0320405051
  C         4.5021530181        9.6238028964       18.1679352159
  C         4.7253352852        8.1261482147       17.8817295852
  C         5.0278632266        7.3660366549       19.1805517122
  C         3.9150105630        7.5668206083       20.2186603611
  C         3.3836221598        9.8405929946       19.1990318621
  C         3.6756322415        9.0590814066       20.4923864356
  C         4.2836224185       10.6030447018       12.0630956626
  C         4.7450141985       12.0533779486       12.3125852232
  C         5.0790943980       12.7443769584       10.9805079230
  C         3.8910154338       12.7078590909       10.0088719808
  C         3.3686878596       11.2775987314        9.8061817030
  C         3.0545469580       10.5816065818       11.1439262710
  C         7.7192001454       11.1483583650       15.6544815177
  C         7.5237564258        8.7273313461       14.3079514448
  C         8.4343212376        8.9103943009       15.5400218400
  C         9.5436442480        9.8146075324       14.9323124169
  C         8.5289112106       10.8532676958       14.3757401088
  C         7.6644483273        9.9545470905       16.3785312446
  C         7.5819104587        9.9212397269       13.5860362410
  H         2.6893497555        7.8538172458       12.8062886419
  H         4.7852509405        7.2108655840       14.9471553833
  H         3.0373893765        7.2455423048       15.1576616010
  H         2.7705778656        5.2299182058       13.7382918914
  H         3.9252472300        4.9299303257       15.0323850512
  H         5.8264268518        5.2979832198       13.4533154492
  H         4.7747193007        4.0350259937       12.8389402434
  H         5.3295428050        5.6605021383       11.0108246415
  H         3.6045520420        5.6820369504       11.3682779952
  H         4.4475766764        7.9872127440       11.1529578155
  H         5.7105272045        7.6834786484       12.3370716056
  H         2.4036784605       11.3186668935       14.1372926081
  H         1.6520900283        9.7264388082       14.0242362050
  H         1.8239127526       10.7678176385       16.4515954922
  H         2.3938102451        9.1044469794       16.2719912532
  H         3.1899373785       12.4818951920       17.6426103095
  H         4.9415202298       12.9759473816       15.1795471962
  H         3.1803933353       13.0185619201       15.2516728810
  H         4.1561497076       15.3077173461       15.1936061178
  H         3.2357219894       15.0498772396       16.6743012166
  H         5.4283999598       16.1446544660       17.2162944657
  H         6.2910262483       14.8378386963       16.4256236485
  H         6.2221670346       14.4992624606       18.9112055558
  H         4.4611872563       14.5590110427       18.8748252936
  H         6.2571119292       12.4382223274       17.5937941501
  H         5.2109551344       12.2223427370       18.9876149566
  H         5.4400944194       10.0252368486       18.5870846494
  H         5.5428241334        8.0027760623       17.1546632583
  H         3.8263234485        7.6982656071       17.4166295269
  H         5.9832355830        7.7233572704       19.5913398104
  H         5.1652956566        6.2976238463       18.9615492463
  H         4.1681135317        7.0462705299       21.1523962398
  H         2.9858876483        7.1077401202       19.8504757983
  H         3.2692141874       10.9084629816       19.4216324538
  H         2.4268506817        9.5017105494       18.7796572702
  H         4.5675517939        9.4860351963       20.9777330806
  H         2.8397716442        9.1907571604       21.1947233993
  H         5.1082504433       10.0758776250       11.5548785753
  H         5.6156719228       12.0641228104       12.9871880840
  H         3.9464011847       12.6117665528       12.8237650104
  H         5.3922910149       13.7817242740       11.1648927710
  H         5.9439005461       12.2390443218       10.5264406067
  H         4.1801529552       13.1457904765        9.0419466769
  H         3.0814765848       13.3395669654       10.3997065507
  H         2.4653686167       11.2852800939        9.1792177904
  H         4.1283882389       10.6877540291        9.2687397244
  H         2.2260528212       11.1032670100       11.6415455745
  H         2.7126307274        9.5554380638       10.9648055383
  H         7.5179074560       12.1510445572       16.0210705966
  H         7.1700101140        7.7623848011       13.9548676737
  H         8.7283956129        7.9944392191       16.0585723862
  H        10.2163703099       10.2353351913       15.6899614744
  H        10.1217319549        9.3154446085       14.1475174980
  H         8.9109170313       11.7255418998       13.8380506351
  H         7.4300808024        9.8412309718       17.4330542610
  H         7.2904196086       10.0739135858       12.5503495258
 Rh        12.7439668663        9.9926093389        4.6419975165
  P        14.3869507474       10.2531960061        6.1039852934
  C        14.5764681078       12.0120325577        6.6958154830
  C        14.8062588033       12.9836047448        5.5223952003
  C        14.8324337982       14.4464701408        5.9999729255
  C        13.5497882866       14.8148503059        6.7520422839
  C        13.3732043322       13.8931639466        7.9611428258
  C        13.3468388990       12.4198844051        7.5282600529
  C        16.0389136273        9.7737341581        5.3890127338
  C        16.0090177390        9.8897384267        3.8547829502
  P        14.3266064500        9.4375578326        3.2066287280
  C        14.4140426613        7.6406594496        2.7156004152
  C        14.5602509154        6.7522008230        3.9682319849
  C        14.4646739312        5.2515643551        3.6496853209
  C        13.1631271878        4.9334917775        2.9082385980
  C        13.0911690450        5.7465596104        1.6122203586
  C        13.1748050486        7.2553421466        1.8804523038
  C        14.0415359025       10.3441734957        1.6146375313
  C        13.8032205704       11.8496227384        1.8419597083
  C        13.3904743172       12.5318028020        0.5296337163
  C        14.4307172305       12.3014152441       -0.5750568787
  C        15.0972769739       10.0935820917        0.5242586946
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  F         7.3402758148       10.8258654412       -0.2922220922
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  C         6.8810525239        8.8086409001        1.5927476627
  C         6.3857536316        7.8168854936        2.4365641404
  C         5.5392563861        8.1445024351        3.5085320175
  C         5.1466187364        9.4703242214        3.7784638429
  C         5.6871699168       10.4579828762        2.9249868068
  B         4.2426307750        9.8927772715        5.0927336739
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  C         2.6130524833        7.8440978429        4.6743441493
  C         1.6901190033        6.8685723385        5.0685677233
  C         1.3011049156        6.7324182638        6.4028484721
  C         1.8641816538        7.6212620133        7.3271439468
  C         2.7816572172        8.5984701507        6.9221476973
  C         1.5595257396        7.5256179643        8.7963649476
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  F         2.6716923516        7.1585583436        9.5291091258
  F         1.1749713783        8.7325454604        9.3150297478
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  F         0.2603844547        5.0670141819        4.3280667504
  F         0.7214177495        6.7239216348        2.9277524275
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  C         5.7942896115        9.1787502045        7.0744520750
  C         6.7072252602        9.3898382377        8.1064893428
  C         7.1808267384       10.6782215134        8.3905935682
  C         6.7517113177       11.7307701869        7.5728244776
  C         5.8402382405       11.4979119905        6.5311492971
  C         7.3133294433       13.1242012356        7.7120301086
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  F         7.3562996319        7.1091625304        7.9945484298
  F         6.3028087585        7.7463034291        9.8158491760
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  C         2.6264225950       11.2819136299        3.5383128901
  C         1.6697127147       12.2686027189        3.2964481835
  C         1.2900286030       13.1747655702        4.2895858374
  C         1.8923288756       13.0468146042        5.5392837463
  C         2.8341292469       12.0402729532        5.7891973097
  C         1.1048990571       12.3797704316        1.9208230333
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  F         1.8928851191       13.1549478151        1.0994032632
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  F         7.4952194644        5.8859621152        3.2974898088
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  F        11.2157905464        9.0223771843       20.1776731617
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  C        11.4324518668       11.0319054062       18.1755333689
  C        11.8837367823       12.0100781401       17.2900779603
  C        12.7622793038       11.6844066357       16.2475962486
  C        13.2303947317       10.3748851200       16.0438689904
  C        12.7428422021        9.3956667131       16.9363244591
  B        14.1533262068        9.9813829573       14.7468081110
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  C        15.7629256407       12.0588963985       15.1987017673
  C        16.7059146852       13.0223023253       14.8169304085
  C        17.1012979419       13.1453769182       13.4761375364
  C        16.5335146210       12.2733700442       12.5348584938
  C        15.5913660928       11.3148889515       12.9352362555
  C        16.8508634799       12.3903358539       11.0588990429
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  F        15.7468813421       12.8173989110       10.3424628908
  F        17.2298595849       11.1906733856       10.4928367495
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  F        18.1491522042       14.8392478538       15.4043057896
  F        17.8375922570       13.2534217681       16.9285553316
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  C        12.4565911222       10.6714350721       12.8087619045
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  C        11.0702278045        9.1028567747       11.5701965337
  C        11.6212433122        8.0727723991       12.3325429674
  C        12.5810651270        8.3393184327       13.3162652513
  C        11.0324254888        6.6984114029       12.2128236702
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  F        11.9211774897        5.6907366003       12.4706043878
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  F        10.6299118615       12.6538355967       11.7343987075
  F        11.7545111738       11.8863247663        9.9831013099
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  C        15.8070730392        8.5290331888       16.3043099523
  C        16.7424593063        7.5028507815       16.4933936404
  C        17.0618942325        6.6296656686       15.4477155765
  C        16.4625936669        6.8220150331       14.2090790409
  C        15.5530773731        7.8658133872       14.0122789624
  C        17.4401416756        7.2166463028       17.7971196581
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  F        16.7934476121        6.2599357086       18.5502178438
  F        18.6972675797        6.7201890997       17.5385369228
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  F        10.4736738812       13.7329900852       16.4275842813
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  H        10.7477941535       11.2832165039       18.9810300549
  H        13.0870038304       12.4779544180       15.5759729993
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  H        17.7672038351        5.8209267525       15.5989102422
  H        15.1251297561        7.9999461908       13.0198180265
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  F         3.3678827768       17.0735941350       18.6346806260
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  F         1.9888684777       23.2921426684       16.4299133056
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  C         7.2315723037       18.2587040097       16.2471259268
  C         8.1987797751       17.2809828808       16.5033979556
  C         8.6002502346       16.3860057108       15.5110638347
  C         8.0156276321       16.5089172446       14.2527556567
  C         7.0598103496       17.4976586839       13.9905905706
  C         8.4127687272       15.5852254645       13.1447552215
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  F         7.3231918882       22.5093553804       10.3369140711
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  F         7.6915643641       24.3591335233       16.5002234908
  F         9.2710230635       22.8835151026       16.9349082532
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  C         3.9583263173       20.3116584930       12.6771041394
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  F         3.4299206630       15.3762106314       12.3950340096
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  C        13.7770214985       -0.1236377540        3.8355493581
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  C        15.5625202924       -0.7631142741        1.6814387688
  C        15.5244255902       -3.1802732513        2.3722696069
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  F        14.4905469966       -4.0611872732        2.4959036277
  F        16.4254731975       -3.5210766230        3.3688929483
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  C        11.2065638553        1.6326710842        3.5320730735
  C        10.2173251382        2.5912972668        3.2833086480
  C         9.7748636654        3.4446069737        4.2959606652
  C        10.3443762364        3.3097845758        5.5629659174
  C        11.3288779544        2.3460988759        5.8107401399
  C         9.9003525183        4.2078546567        6.6792546161
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  F         8.9825807424        5.1297180440        6.2399671988
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  F         8.4148770519        3.3339632202        1.9022616474
  F        10.4588621289        3.5323522739        1.0996949994
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  C        11.2409497952       -1.8306490841        4.5985612537
  C        10.2874512214       -2.7975716888        4.9411362414
  C         9.8287509615       -2.9210469487        6.2597464837
  C        10.3486318654       -2.0459172146        7.2186174511
  C        11.3111514520       -1.0879639529        6.8661727427
  C         9.9840974999       -2.1745465244        8.6765249684
  F         9.5969133690       -0.9771344223        9.2374351099
  F         8.9750685698       -3.0537427347        8.9401477024
  F        11.0825475498       -2.6072405149        9.3904767906
  C         9.7516534292       -3.6938639465        3.8570877951
  F         8.8183402115       -4.5672796039        4.3273624496
  F        10.7189457327       -4.4499609930        3.2316923673
  F         9.1419355864       -2.9675488215        2.8570958024
  C        13.8958152795        0.6115517196        6.3315254916
  C        14.3847696776        1.9125157482        6.5536326534
  C        15.3616704027        2.1870632579        7.5248658324
  C        15.8924816262        1.1689402085        8.3135040603
  C        15.4351979445       -0.1356499025        8.0976250853
  C        14.4641566897       -0.4058116956        7.1271466820
  C        16.0296679643       -1.2291574505        8.9365687212
  F        16.0360481134       -0.8731307745       10.2704660321
  F        17.3440333303       -1.4914612282        8.6463949765
  F        15.3742836545       -2.4157101979        8.8048387870
  C        15.9207698623        3.5760644188        7.6381541807
  F        16.4809018203        3.8552588385        8.8572493739
  F        14.9785634602        4.5342527915        7.4064392602
  F        16.8940755853        3.7861038557        6.6787603858
  H        14.0157266232        1.9083849612        3.1311895749
  H        13.8612985701       -2.2436000999        4.2339055497
  H        16.2323562791       -1.0115063489        0.8624439307
  H        11.5149595235        0.9782923713        2.7177323783
  H         9.0099314519        4.1889665844        4.0997858860
  H        11.7328007208        2.2656178906        6.8192675373
  H        11.5560080000       -1.7621487644        3.5577397671
  H         9.1034284977       -3.6822276077        6.5331585545
  H        11.6957977850       -0.4305907627        7.6453389050
  H        14.0027878794        2.7381604941        5.9543530623
  H        16.6448646635        1.3854916149        9.0677086754
  H        14.1403979826       -1.4355424886        6.9870382538
  H        11.3913465235        7.5236683392        4.2786485501
  H        11.3710986695        8.2743516018        6.5497975271
  H        11.4560421575        9.7370357507        3.2910487749
  H        11.4879970826       10.6675191568        5.8600967733
     648
 i =      20, E =    -4477.5512900702
 Rh         3.6569080585        0.2186974703        4.8536433331
  P         5.4000424185        0.6583656813        6.3054799486
  C         5.2329115632       -0.3198362693        7.8709079917
  C         4.8384439983       -1.7864311151        7.6049317568
  C         4.5167080184       -2.4982254569        8.9285187372
  C         5.6965784530       -2.4254560590        9.9072807728
  C         6.1620973782       -0.9781589664       10.1292144824
  C         6.4502674186       -0.2459448105        8.8052460969
  C         5.6520131485        2.4311627588        6.8203563852
  C         4.6510300850        2.8415613315        7.9209012657
  C         4.6990831229        4.3484453572        8.2159929766
  C         4.4817931370        5.1693327589        6.9426261994
  C         5.5429573414        4.8263139239        5.8946436160
  C         5.5363013968        3.3264228794        5.5651543418
  C         7.0179402326        0.1473819621        5.5269155584
  C         6.9731320704        0.2698059374        3.9933997440
  P         5.3158600984       -0.2491600290        3.3152915762
  C         5.5212381763       -2.0301558319        2.8187904153
  C         4.3856734356       -2.4435656177        1.8592644410
  C         4.3427871318       -3.9566361144        1.6140229224
  C         4.2984823069       -4.7494163192        2.9225429677
  C         5.5206274373       -4.4121763248        3.7805021942
  C         5.5667053794       -2.9080260883        4.0898762467
  C         5.0728907673        0.6838845467        1.7321701404
  C         4.7513896633        2.1712022701        1.9770004612
  C         4.3590110419        2.8512822327        0.6555432165
  C         5.4669964239        2.7054978253       -0.3980116986
  C         5.8382211183        1.2300420259       -0.6163416761
  C         6.2052259715        0.5239243825        0.7032635283
  C         1.9001291416        0.2480317894        3.4960592237
  C         1.8924318445       -0.9549483645        4.2069918363
  C         1.0647357276       -0.7101181298        5.4837601717
  C         1.9613628801        0.2531893650        6.2915080503
  C         1.9719328358        1.4570682460        5.5829345768
  C         1.0803124111        1.2478087830        4.3415343841
  C         0.0110801596        0.2888814944        4.9336684720
  H         4.3779986243        0.1632796174        8.3730101871
  H         5.6660685825       -2.3078827842        7.1008047892
  H         3.9773908830       -1.8286967734        6.9198281540
  H         4.2432441610       -3.5448625305        8.7348633448
  H         3.6307336814       -2.0266900166        9.3785772867
  H         5.4173377955       -2.8823294872       10.8679930974
  H         6.5316595267       -3.0232074015        9.5164593195
  H         7.0662123083       -0.9583322624       10.7557615371
  H         5.3798383963       -0.4293038712       10.6768695142
  H         6.7339433054        0.7954721658        9.0061517076
  H         7.3127254432       -0.7119376526        8.3106225448
  H         6.6728695675        2.5124374385        7.2277036879
  H         4.8554883439        2.2803712994        8.8423395557
  H         3.6298989130        2.5702848570        7.6166886254
  H         5.6743314907        4.6081223284        8.6527323646
  H         3.9416919196        4.5944119129        8.9735551388
  H         4.4957721055        6.2430090063        7.1760649055
  H         3.4816607798        4.9626627347        6.5342585067
  H         6.5331545226        5.1265584058        6.2632608420
  H         5.3693646529        5.3860392310        4.9650434010
  H         6.3504109832        3.0969755081        4.8618546805
  H         4.5999993285        3.0751998059        5.0405886097
  H         7.8453349257        0.7350785990        5.9501511044
  H         7.1877088283       -0.8974904732        5.8229322745
  H         7.7763863735       -0.3148176929        3.5221251088
  H         7.1174534696        1.3156528247        3.6876698126
  H         6.4849320601       -2.1201526165        2.2920349023
  H         4.4979639555       -1.9220776388        0.8986571314
  H         3.4182610392       -2.1202851054        2.2677224101
  H         5.2339605477       -4.2563104481        1.0442107871
  H         3.4735525018       -4.1921228303        0.9862332204
  H         4.2504919156       -5.8256853947        2.7071647804
  H         3.3778565497       -4.5121439710        3.4769332601
  H         5.5080110336       -4.9682383318        4.7293992722
  H         6.4358059482       -4.7147353753        3.2516762935
  H         6.4702802622       -2.6752763565        4.6716004529
  H         4.7083435212       -2.6467544800        4.7294573393
  H         4.1633298779        0.2203642747        1.3142866571
  H         5.6304281164        2.6792588459        2.4009811898
  H         3.9455128736        2.2648145911        2.7214288933
  H         4.1318462420        3.9114633797        0.8342011086
  H         3.4305547595        2.3955892567        0.2796856922
  H         6.3567713635        3.2629762980       -0.0698344981
  H         5.1504974604        3.1609330084       -1.3477066775
  H         6.6796125119        1.1463340383       -1.3200429633
  H         4.9852340040        0.7073333413       -1.0783383361
  H         7.1296942987        0.9599931104        1.1053252255
  H         6.4148608241       -0.5370117555        0.5136720963
  H         2.1380141206        0.3850152481        2.4450642257
  H         2.1411105357       -1.9437625760        3.8319734143
  H         0.7199943957       -1.6026624633        6.0110693961
  H         2.2432749080        0.1026086232        7.3295272880
  H         2.2762076603        2.4330930319        5.9508926893
  H         0.7486953017        2.1552353665        3.8304057930
  H        -0.5907609409        0.7539601398        5.7202223300
  H        -0.6368896944       -0.1538355447        4.1699561775
 Rh        14.7463208445       19.6482325394       14.9441309117
  P        13.0064438419       19.2231588225       13.4823445877
  C        13.1756714093       20.2187553311       11.9261573416
  C        13.5438932196       21.6894362299       12.2048202831
  C        13.8473328866       22.4219933640       10.8872731005
  C        12.6669889496       22.3362433541        9.9099887981
  C        12.2364499345       20.8816092906        9.6701700366
  C        11.9643512827       20.1290028384       10.9855239648
  C        12.7280126717       17.4663810736       12.9251549873
  C        13.7678483547       17.0430809364       11.8665905204
  C        13.6722385088       15.5497731642       11.5151511240
  C        13.7484946704       14.6676199960       12.7645598316
  C        12.6426698923       15.0481179470       13.7534285971
  C        12.7417722091       16.5288703593       14.1525027271
  C        11.3885261756       19.7372880565       14.2617267872
  C        11.4281034477       19.6092218839       15.7948753471
  P        13.0864752131       20.1139282082       16.4806997339
  C        12.8810197362       21.8845627335       17.0153861570
  C        14.0048388821       22.2805362220       17.9961529990
  C        14.0215376243       23.7850976862       18.2950148208
  C        14.0700137674       24.6174570966       17.0111592852
  C        12.8639437975       24.2906018084       16.1259495405
  C        12.8422504878       22.7962071798       15.7682262022
  C        13.3321208236       19.1501746848       18.0442637730
  C        13.6144733770       17.6617014135       17.7635899753
  C        14.0074012993       16.9390464053       19.0618754117
  C        12.9290758400       17.1001434953       20.1442512445
  C        12.6030164500       18.5811426145       20.3958419057
  C        12.2228606366       19.3155098073       19.0960526403
  C        16.4964828057       19.6050705446       16.3090747000
  C        16.5000995734       20.8206965442       15.6199244478
  C        17.3372459096       20.6036278886       14.3441569992
  C        16.4516525904       19.6481892964       13.5147665258
  C        16.4448437405       18.4326972131       14.2020951222
  C        17.3280820188       18.6258306103       15.4513935579
  C        18.3953160620       19.6022528224       14.8837391874
  H        14.0412327056       19.7526140255       11.4263281706
  H        12.7086363105       22.1905427810       12.7169074305
  H        14.4060414693       21.7407923987       12.8878615130
  H        14.0985126355       23.4718312814       11.0922156932
  H        14.7421330544       21.9748406181       10.4295215045
  H        12.9319924901       22.8136442452        8.9549057592
  H        11.8185777830       22.9076076513       10.3113681691
  H        11.3320089774       20.8482818988        9.0446697993
  H        13.0309680345       20.3571315106        9.1161801441
  H        11.7075264123       19.0838060304       10.7711815136
  H        11.0883785865       20.5678755655       11.4812208833
  H        11.7260648514       17.4321843054       12.4665856171
  H        13.6395896934       17.6398794760       10.9538616766
  H        14.7806025490       17.2604670804       12.2347700137
  H        12.7230815220       15.3553244948       10.9960924915
  H        14.4730848023       15.2942750895       10.8068637136
  H        13.6726394690       13.6084987441       12.4795930223
  H        14.7307607048       14.7811811124       13.2469366436
  H        11.6620915280       14.8491284502       13.2997253964
  H        12.6969729254       14.4329528934       14.6618201717
  H        11.9185536035       16.7862851100       14.8353312436
  H        13.6735663232       16.6952923718       14.7168936710
  H        10.5596676717       19.1544134716       13.8345655059
  H        11.2235475696       20.7840557899       13.9693662277
  H        10.6269813607       20.1969888934       16.2658412055
  H        11.2761671261       18.5632773780       16.0962318667
  H        11.9123344877       21.9583369530       17.5359170730
  H        13.8976105060       21.7226799234       18.9364601250
  H        14.9796012493       21.9893413050       17.5812863490
  H        13.1213070039       24.0541811268       18.8658323040
  H        14.8817329071       24.0112791122       18.9390008637
  H        14.0992824855       25.6871277396       17.2589484291
  H        15.0011115643       24.4091262908       16.4630111971
  H        12.8799362171       24.8788550757       15.1966732876
  H        11.9374602438       24.5632734272       16.6514121543
  H        11.9496920375       22.5700360820       15.1669811797
  H        13.7119973226       22.5636291096       15.1330284610
  H        14.2584538982       19.5861247787       18.4549411286
  H        12.7176929379       17.1853446232       17.3402503284
  H        14.4081021362       17.5658150961       17.0059109489
  H        14.1875488560       15.8752790322       18.8510645177
  H        14.9617957500       17.3478394743       19.4276260118
  H        12.0158408846       16.5738690239       19.8294699601
  H        13.2547345473       16.6206814543       21.0786563119
  H        11.7811975906       18.6740149563       21.1212085374
  H        13.4792833196       19.0754390080       20.8456200683
  H        11.2831075444       18.9038063833       18.7054066726
  H        12.0375469867       20.3767355490       19.3057396944
  H        16.2539212948       19.4480754260       17.3562046459
  H        16.2449988684       21.8009093157       16.0126979554
  H        17.6788404956       21.5075196215       13.8342998808
  H        16.1714060095       19.8159396591       12.4789367367
  H        16.1471215197       17.4614283312       13.8171923005
  H        17.6622366773       17.7115541594       15.9478779044
  H        19.0061278964       19.1553812605       14.0929798389
  H        19.0352775174       20.0357681527       15.6603739001
 Rh         5.8938274370       10.0439834513       15.0415513825
  P         4.0895558484        9.6540105691       13.6451683092
  C         3.7227569823        7.8860350923       13.1855099807
  C         3.8294674043        6.9927943670       14.4402776996
  C         3.7693515298        5.4940069555       14.1068799894
  C         4.8154022741        5.1109561449       13.0585692927
  C         4.5935673229        5.9233953940       11.7831252195
  C         4.6743115757        7.4296986104       12.0675939663
  C         2.5167526451       10.2663928590       14.4343350552
  C         2.5839568375       10.1412765691       15.9643608034
  P         4.2797926139       10.5826826001       16.6002301022
  C         4.1403132227       12.3660899806       17.0970718126
  C         4.0896577537       13.2432420859       15.8258902788
  C         4.1461910407       14.7453394932       16.1396737161
  C         5.3758829435       15.0711654745       16.9907088009
  C         5.3468301663       14.2666077028       18.2922941372
  C         5.3013750742       12.7568623885       18.0317331904
  C         4.5019688682        9.6236237489       18.1680844147
  C         4.7249041756        8.1258991706       17.8820717768
  C         5.0275191537        7.3659681167       19.1809805824
  C         3.9147631672        7.5669862652       20.2191487331
  C         3.3836137490        9.8407381056       19.1993110493
  C         3.6756068097        9.0593071517       20.4927074132
  C         4.2825371960       10.6027239672       12.0633361263
  C         4.7437641142       12.0530800416       12.3129489048
  C         5.0777989777       12.7442592403       10.9809526169
  C         3.8897968883       12.7076063601       10.0092222361
  C         3.3676132070       11.2772935669        9.8064490321
  C         3.0534826071       10.5812162002       11.1441652244
  C         7.7188514446       11.1475299819       15.6533562918
  C         7.5227221359        8.7260690994       14.3078198355
  C         8.4337277570        8.9094852531       15.5395084566
  C         9.5429286050        9.8133220358       14.9310342665
  C         8.5280915211       10.8518810849       14.3744451152
  C         7.6642340626        9.9540256204       16.3778804615
  C         7.5807473788        9.9196551604       13.5854114605
  H         2.6884980975        7.8536137122       12.8056015123
  H         4.7829342302        7.2103604371       14.9478049674
  H         3.0349184120        7.2453081143       15.1571136160
  H         2.7689232132        5.2298222597       13.7372054319
  H         3.9222501106        4.9295258300       15.0323692700
  H         5.8250254891        5.2976484920       13.4550530953
  H         4.7738857491        4.0346315553       12.8398472918
  H         5.3301610779        5.6599545249       11.0120538643
  H         3.6048741831        5.6813427411       11.3680994039
  H         4.4474628011        7.9865819695       11.1532106664
  H         5.7099050506        7.6832356731       12.3379294593
  H         2.4027156643       11.3181021673       14.1376239098
  H         1.6512178244        9.7258105946       14.0249326427
  H         1.8235789082       10.7676570629       16.4521162586
  H         2.3933176589        9.1042134396       16.2726339045
  H         3.1899720764       12.4815482745       17.6429821053
  H         4.9408134731       12.9758052712       15.1794458321
  H         3.1797138269       13.0183024882       15.2520487119
  H         4.1552651369       15.3075753261       15.1939917636
  H         3.2352959687       15.0494608489       16.6748981271
  H         5.4280900002       16.1443233090       17.2164216323
  H         6.2905402830       14.8376354826       16.4253424496
  H         6.2224318686       14.4988184138       18.9109193290
  H         4.4614368199       14.5583808762       18.8750433630
  H         6.2571343743       12.4379690528       17.5930392038
  H         5.2115488455       12.2217513333       18.9872415797
  H         5.4400340392       10.0249643459       18.5870356324
  H         5.5422827060        8.0023232818       17.1549192838
  H         3.8257795888        7.6980555798       17.4171617162
  H         5.9829489367        7.7232920697       19.5916372758
  H         5.1648488608        6.2975167981       18.9621337977
  H         4.1678807984        7.0465249956       21.1529271451
  H         2.9855602410        7.1079674473       19.8510912331
  H         3.2695024204       10.9086504067       19.4218408997
  H         2.4267137931        9.5020433461       18.7800862530
  H         4.5675907265        9.4861839918       20.9779609262
  H         2.8398184237        9.1911811091       21.1950960924
  H         5.1072136923       10.0756918713       11.5550700199
  H         5.6144381260       12.0638183439       12.9875244727
  H         3.9450871667       12.6113172894       12.8241968508
  H         5.3907642027       13.7816506909       11.1654456489
  H         5.9427727813       12.2391830445       10.5269431166
  H         4.1789636561       13.1456076651        9.0423359091
  H         3.0801457116       13.3391954173       10.4000020471
  H         2.4643249397       11.2848914529        9.1794458227
  H         4.1274097174       10.6875320829        9.2690487752
  H         2.2249306190       11.1027762410       11.6417849418
  H         2.7116608905        9.5550316713       10.9649985969
  H         7.5177529481       12.1503898301       16.0196220938
  H         7.1687392870        7.7609951896       13.9552770600
  H         8.7278885132        7.9936827996       16.0582755282
  H        10.2160321347       10.2342669864       15.6882373684
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 Rh        12.7521802366        9.9940629805        4.6469055880
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  H        16.1921730391       10.9201599222        3.5333346939
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  H        13.2431609330       13.6094196584        0.7124596598
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  H        13.7875742544       10.3302374529       -1.1888174781
  H        15.4898997767       10.6611596924       -1.5270203623
  H        13.2114154469        9.7013961015        8.0528491311
  H        13.1347751622        7.6441864604        6.6226789215
  H        14.8053054818        7.2893291546        7.0508704970
  H        13.2157786515        6.0370290363        8.5357779632
  H        12.4760330718        7.5513652878        9.0389449828
  H        14.1140237029        6.8267108798       10.7629770340
  H        15.3768762865        6.6806590648        9.5495367724
  H        15.7058529449        8.8054009943       10.7354048883
  H        14.0146433669        9.2620324245       10.4902467294
  H        16.1878142681        9.0318770549        8.3348444519
  H        15.4343597404       10.5068895472        8.9253437028
  H         9.7369779236        7.5147783670        6.8478450437
  H        10.0804745575       10.7122989502        3.1165589131
  H         9.2693000719        8.3468680962        2.9417884224
  H         7.8726465870        8.3561945915        5.2219689793
  H         7.9496206931       10.0119170905        4.5697982068
  H         9.1612496230        9.9402511525        6.9482791863
  H         9.8965684261        6.6599454078        4.6435204695
  H        10.0844003398       11.5526766237        5.2928958139
  F         8.4420636180       11.5252446113        1.4689073748
  C         7.1780221101       11.2077307024        1.0224427269
  F         6.4803435898       12.3735534471        1.0250189374
  F         7.3402795189       10.8258483973       -0.2921297907
  C         6.5354507882       10.1370430680        1.8575256936
  C         6.8832629598        8.8090979094        1.5951617346
  C         6.3854644795        7.8170023769        2.4370150163
  C         5.5358781239        8.1443071696        3.5066748427
  C         5.1434315144        9.4701429937        3.7765355538
  C         5.6841220143       10.4579579247        2.9232391560
  B         4.2415309781        9.8925852655        5.0921034732
  C         3.2065822546        8.7239723065        5.5857961669
  C         2.6117822081        7.8444603894        4.6745042455
  C         1.6894641524        6.8684713081        5.0687726711
  C         1.3007315126        6.7320745125        6.4031239389
  C         1.8639253535        7.6209864128        7.3272843815
  C         2.7813597896        8.5982302042        6.9223586063
  C         1.5594918584        7.5254783595        8.7964690434
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  F         2.6717211453        7.1585402518        9.5291245741
  F         1.1750313901        8.7324970955        9.3150409770
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  F         2.2497206490        5.2405343863        3.4432638348
  F         0.2603118353        5.0669281624        4.3280298291
  F         0.7213918106        6.7238944636        2.9277130826
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  C         5.7952947041        9.1779490089        7.0725127682
  C         6.7054756963        9.3896725695        8.1068631769
  C         7.1767208547       10.6786333622        8.3925226211
  C         6.7497176809       11.7309856089        7.5734210499
  C         5.8397022628       11.4976513096        6.5305210390
  C         7.3128338952       13.1241687958        7.7121017166
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  F         6.3613584164       14.0760245028        7.4141011056
  F         8.3377912274       13.3430157849        6.8148825618
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  F         7.3560782066        7.1091793507        7.9946509591
  F         6.3026142418        7.7461555945        9.8161247028
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  C         2.6252023962       11.2818702389        3.5388505676
  C         1.6689452548       12.2688315791        3.2967000408
  C         1.2892221521       13.1750273413        4.2898261337
  C         1.8915563822       13.0468118075        5.5394733830
  C         2.8329867052       12.0400318268        5.7896871482
  C         1.1048196124       12.3798835473        1.9208082451
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  F         1.8929036763       13.1549432201        1.0994399889
  F        -0.1582308768       12.9020873767        1.9047058676
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  F         7.4953128540        5.8859606064        3.2975801406
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  F         2.7525290228       14.5658822205        7.1203922384
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  H         7.5380046653        8.5567998256        0.7661035929
  H         5.1770527182        7.3412987083        4.1497897333
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  H         5.5287177650       12.3380665815        5.9121684618
  H         2.8892580857       10.6002698758        2.7324175299
  H         0.5588902881       13.9529138066        4.0934727172
  H         3.2582559567       11.9676538270        6.7899915607
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  F        11.9366409729        7.4659318023       18.8392487010
  F        11.2157883956        9.0224003899       20.1775385295
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  C        11.4320450501       11.0319163407       18.1753359230
  C        11.8833139025       12.0100407177       17.2898288869
  C        12.7612258519       11.6842583931       16.2468839546
  C        13.2289251744       10.3746852966       16.0426447642
  C        12.7418580870        9.3955733489       16.9355315121
  B        14.1514659869        9.9817393490       14.7450191343
  C        15.1691774929       11.1819319693       14.2734123850
  C        15.7620269577       12.0589898564       15.1983975629
  C        16.7055662109       13.0220493852       14.8168694123
  C        17.1011993064       13.1447763657       13.4760923668
  C        16.5334748522       12.2728034605       12.5347655291
  C        15.5912121481       11.3143361260       12.9349777994
  C        16.8509182597       12.3900883388       11.0588461937
  F        17.8551728791       13.2670161615       10.7835044055
  F        15.7469572221       12.8173301594       10.3425289575
  F        17.2299305152       11.1905745001       10.4926711483
  C        17.2377531989       13.9415544321       15.8883374611
  F        16.2465481845       14.6703693313       16.4957415349
  F        18.1490989262       14.8391565041       15.4042813575
  F        17.8375704877       13.2533748234       16.9285202387
  C        13.0516437811        9.6434419585       13.5614331023
  C        12.4502751305       10.6722761074       12.8045058073
  C        11.4759987253       10.4098633292       11.8290468894
  C        11.0670976367        9.1009298605       11.5675993222
  C        11.6208478306        8.0722115402       12.3302272584
  C        12.5803202559        8.3398334525       13.3136316402
  C        11.0324460613        6.6980363884       12.2121741216
  F        10.4946954073        6.4289396871       10.9919912823
  F        11.9212066287        5.6906093515       12.4705713173
  F        10.0107513922        6.5650964115       13.1291446020
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  F         9.6912013476       11.1820378200       10.4147489812
  F        10.6271439585       12.6533641598       11.7336572694
  F        11.7439376961       11.8836899513        9.9833707891
  C        15.1720835551        8.7305051258       15.0533806121
  C        15.8054569430        8.5286372409       16.3043795835
  C        16.7412935812        7.5026537503       16.4935960867
  C        17.0606248799        6.6291354497       15.4481283110
  C        16.4619875063        6.8218004894       14.2092213912
  C        15.5526358824        7.8657806820       14.0122031579
  C        17.4397891941        7.2166170180       17.7971327760
  F        17.6081127285        8.3121454151       18.6165805274
  F        16.7934229838        6.2598283538       18.5503134129
  F        18.6970441392        6.7202326391       17.5383943852
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  F        10.7927628952       13.6696957189       18.6173600218
  F        10.4736542777       13.7330313101       16.4275529502
  F        12.3986725960       14.3369618104       17.2398662888
  F        17.6196340476        4.8747453668       13.4799624780
  F        17.3850610289        6.5344919391       12.0263851623
  F        15.6530461672        5.3296429366       12.5430063068
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  H        10.7474145484       11.2832963983       18.9808444527
  H        13.0857261835       12.4777802196       15.5751293460
  H        13.0399344367        8.3565137806       16.8054474054
  H        15.4770517679       11.9984125486       16.2479549027
  H        17.8104089128       13.9100151820       13.1733888437
  H        15.1646633859       10.6587789279       12.1765029838
  H        12.7441218816       11.7061221248       12.9848590150
  H        10.3117869613        8.8905570767       10.8170567861
  H        12.9627869092        7.5082321658       13.9036013333
  H        15.5698252978        9.1886850586       17.1390524578
  H        17.7653269243        5.8199088226       15.5997732299
  H        15.1254065535        8.0004155760       13.0195399422
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  F         3.3680072836       17.0732294306       18.6347867622
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  C         4.1701148486       19.0060702787       16.8162052524
  C         4.6796752927       19.9976668330       15.9528179007
  C         4.2563785594       21.3115845890       16.2044418473
  C         3.4097393475       21.6241236251       17.2729288081
  C         2.9348691801       20.6395301710       18.1311541189
  C         2.9100788988       23.0206732592       17.4266185683
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  F         3.9053266257       23.9595770684       17.3085814949
  F         1.9890090425       23.2920348174       16.4299650817
  B         5.6055577217       19.6274518867       14.6554200710
  C         6.6281798957       18.3941337365       14.9813610856
  C         7.2320823075       18.2589981747       16.2467621888
  C         8.1988238496       17.2809236332       16.5033475459
  C         8.5999173271       16.3855471791       15.5112145970
  C         8.0157793598       16.5087897515       14.2527199499
  C         7.0604615645       17.4978987534       13.9902400679
  C         8.4128220848       15.5851462861       13.1447075594
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  F         9.2156608392       14.5620619590       13.5672940777
  F         9.1135273480       16.2366495052       12.1642218395
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  F        10.0084660296       16.5641965086       17.8935787682
  F         7.9609093019       16.3834966816       18.6996470284
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  C         7.1993272514       21.6995973133       15.1978369536
  C         8.1295517990       22.6841466104       14.8460846078
  C         8.5432981695       22.8473047848       13.5201885961
  C         8.0019932511       21.9951478624       12.5588790551
  C         7.0615142783       21.0181073722       12.9134765433
  C         8.3898662485       22.1171189871       11.1126448514
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  F         9.3732356462       23.0276647513       10.8594363202
  F         7.3232532987       22.5093649596       10.3368997875
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  F         7.6916042947       24.3591619125       16.5001697891
  F         9.2709209471       22.8834638287       16.9349687744
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  C         4.0414368590       17.9915874828       13.2307540590
  C         3.0698461365       17.7248716977       12.2550642732
  C         2.5339326573       18.7447177677       11.4759765564
  C         2.9915244480       20.0458822518       11.7031655723
  C         3.9583848397       20.3118562307       12.6771506022
  C         2.3887265501       21.1404824434       10.8787531237
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  F         1.0827234137       21.4014820515       11.2184885404
  F         3.0421256683       22.3263411315       10.9954197283
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  F         1.9327803367       16.0532523347       10.9414807511
  F         3.4299545070       15.3762139223       12.3950244556
  F         1.5218197662       16.1883325153       13.1200667019
  H         4.4315949492       17.9627756522       16.6498087468
  H         4.5858656043       22.1165876298       15.5497827553
  H         2.2661742960       20.8852305352       18.9512205683
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  H         9.3365350370       15.6156511241       15.7167519782
  H         6.6463303254       17.5665526332       12.9853457291
  H         6.9179166204       21.6012179935       16.2460815221
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  H         6.6607522086       20.3731191672       12.1325926693
  H         4.4160988357       17.1618328576       13.8278813338
  H         1.7742613271       18.5334633604       10.7276742154
  H         4.2739762955       21.3425617506       12.8269639526
  F        15.6822383747        1.2737212370       -0.2987729593
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  F        15.0586094602        2.8178068261        1.1692149530
  C        15.1679581606        0.5591979586        1.9204486564
  C        14.2962700373        0.8681199411        2.9738846159
  C        13.7767026814       -0.1236556353        3.8352501093
  C        14.2084319153       -1.4381673392        3.5873647578
  C        15.0770136325       -1.7550084950        2.5310546976
  C        15.5624725995       -0.7631456437        1.6811178613
  C        15.5245729810       -3.1802050192        2.3721577262
  F        16.1171533055       -3.4498411694        1.1751272503
  F        14.4906297136       -4.0611803108        2.4957083812
  F        16.4254531152       -3.5210357693        3.3688419862
  B        12.8299853088        0.2549705037        5.1289276103
  C        11.7966468546        1.4834793392        4.8029359432
  C        11.2068219109        1.6329996231        3.5321807988
  C        10.2174058660        2.5914137308        3.2834094515
  C         9.7748073117        3.4446200259        4.2961300888
  C        10.3443650423        3.3098111014        5.5631447497
  C        11.3288654809        2.3461570608        5.8109597858
  C         9.9004381958        4.2078701719        6.6795078525
  F        10.9544469827        4.8794318795        7.2547491143
  F         8.9823704763        5.1295073489        6.2402656899
  F         9.3005062876        3.5289929713        7.7048165000
  C         9.6621056303        2.7498657389        1.8996720070
  F         9.5664853878        1.5416624627        1.2475381110
  F         8.4149233943        3.3339669182        1.9022693170
  F        10.4588760581        3.5323365113        1.0996936855
  C        11.7971245129       -0.9555040115        5.5509113996
  C        11.2410088657       -1.8311287955        4.5989710096
  C        10.2867556378       -2.7973484671        4.9413196273
  C         9.8270412025       -2.9199174051        6.2596559698
  C        10.3474482593       -2.0450970849        7.2185337229
  C        11.3097719889       -1.0869573910        6.8660693074
  C         9.9837855713       -2.1743743353        8.6765452872
  F         9.5968456756       -0.9770290185        9.2375699878
  F         8.9750003958       -3.0537368488        8.9402037814
  F        11.0824751918       -2.6072120546        9.3903085781
  C         9.7514806021       -3.6938329746        3.8571656904
  F         8.8182891259       -4.5673280678        4.3273529314
  F        10.7189258253       -4.4498726744        3.2317895774
  F         9.1419120909       -2.9675490588        2.8570562854
  C        13.8956666895        0.6111784540        6.3316448930
  C        14.3846986132        1.9121590463        6.5536662908
  C        15.3616951968        2.1868621107        7.5247881514
  C        15.8925206900        1.1687488272        8.3134253361
  C        15.4350891038       -0.1358164993        8.0977007599
  C        14.4638609897       -0.4061666673        7.1274360217
  C        16.0296526943       -1.2292320092        8.9366215498
  F        16.0360552723       -0.8731526150       10.2704916218
  F        17.3440411005       -1.4914679874        8.6464025566
  F        15.3742854068       -2.4157599785        8.8048349440
  C        15.9208056496        3.5759057145        7.6380918132
  F        16.4809151031        3.8552010298        8.8571821338
  F        14.9786651907        4.5341105247        7.4063767599
  F        16.8941144642        3.7860737707        6.6787302297
  H        14.0163013368        1.9084449553        3.1313873641
  H        13.8600712676       -2.2436225265        4.2326618943
  H        16.2322631401       -1.0115465336        0.8620653290
  H        11.5155241695        0.9787458016        2.7178615532
  H         9.0097719289        4.1888872954        4.1000144540
  H        11.7325676680        2.2655985004        6.8195916355
  H        11.5570127959       -1.7637267369        3.5583906565
  H         9.1005753637       -3.6800581973        6.5329949807
  H        11.6935320315       -0.4289593057        7.6451634087
  H        14.0025549196        2.7377425120        5.9544063215
  H        16.6449585699        1.3853221814        9.0675820849
  H        14.1399945924       -1.4359564647        6.9877796160
  H        11.4237103115        7.5216790276        4.3970950600
  H        11.2960744725        8.3230813270        6.6505270448
  H        11.4868259023        9.6930691822        3.2994020997
  H        11.4602869718       10.6390879861        5.8641619601
     648
 i =      20, E =    -4477.5402936263
 Rh         3.6567486911        0.2192542464        4.8537590982
  P         5.3995889001        0.6587647179        6.3056457063
  C         5.2323927303       -0.3195671319        7.8709366024
  C         4.8379796433       -1.7861310096        7.6049055950
  C         4.5162152353       -2.4980436280        8.9284519630
  C         5.6961808812       -2.4253794891        9.9070929907
  C         6.1620182788       -0.9781579327       10.1289733513
  C         6.4498726364       -0.2458737612        8.8049900967
  C         5.6511268424        2.4314640593        6.8208950532
  C         4.6498391318        2.8416619991        7.9212924205
  C         4.6979331109        4.3485204289        8.2166570525
  C         4.4810185955        5.1697300394        6.9434130103
  C         5.5424043193        4.8267741287        5.8957319314
  C         5.5357773141        3.3269904483        5.5658238462
  C         7.0175943317        0.1479390333        5.5272012828
  C         6.9728335948        0.2702179382        3.9936773178
  P         5.3155965770       -0.2487364063        3.3155336220
  C         5.5207709455       -2.0297641149        2.8189165502
  C         4.3853802491       -2.4430864481        1.8590974847
  C         4.3422453182       -3.9562220598        1.6139702880
  C         4.2975503179       -4.7488528267        2.9225673333
  C         5.5196695421       -4.4118029685        3.7806196376
  C         5.5660285132       -2.9076687907        4.0899932667
  C         5.0726524302        0.6844587863        1.7325017511
  C         4.7507513054        2.1716250090        1.9774464120
  C         4.3586428872        2.8517618650        0.6559583682
  C         5.4670003542        2.7064900757       -0.3972545241
  C         5.8389831244        1.2312309576       -0.6156560476
  C         6.2054060103        0.5250344923        0.7040712808
  C         1.8995457913        0.2466345871        3.4964894534
  C         1.8923382505       -0.9558689410        4.2081179874
  C         1.0649211698       -0.7104994215        5.4850134384
  C         1.9611887639        0.2539239038        6.2919196769
  C         1.9707080967        1.4573455176        5.5826620073
  C         1.0792742756        1.2465778269        4.3414110937
  C         0.0105101971        0.2874987817        4.9344060554
  H         4.3776034595        0.1635483033        8.3732357085
  H         5.6656200893       -2.3075270416        7.1007190200
  H         3.9769892945       -1.8282773550        6.9197425272
  H         4.2428101640       -3.5446734809        8.7346781357
  H         3.6302853037       -2.0265345987        9.3786810847
  H         5.4170836739       -2.8822584979       10.8678668564
  H         6.5310584371       -3.0232638902        9.5161693337
  H         7.0663126724       -0.9585771593       10.7552459734
  H         5.3800464824       -0.4291962287       10.6769062149
  H         6.7337959359        0.7954398194        9.0060482343
  H         7.3120773728       -0.7118563563        8.3100497098
  H         6.6718636655        2.5127941736        7.2285300707
  H         4.8541133576        2.2802808346        8.8426714938
  H         3.6287681347        2.5704276600        7.6167040958
  H         5.6731239463        4.6079387958        8.6536772381
  H         3.9404200779        4.5943725408        8.9741660999
  H         4.4953029578        6.2433469655        7.1771650912
  H         3.4809487075        4.9634127103        6.5347350922
  H         6.5324236434        5.1267483245        6.2647547258
  H         5.3693327124        5.3867516492        4.9662683964
  H         6.3501810116        3.0977645645        4.8627662804
  H         4.5997097332        3.0758410919        5.0408549792
  H         7.8449308702        0.7357691691        5.9503727667
  H         7.1875485898       -0.8968687181        5.8233224090
  H         7.7761214021       -0.3144466875        3.5225178296
  H         7.1171610811        1.3160191717        3.6878508770
  H         6.4845425188       -2.1198515203        2.2923401649
  H         4.4981705504       -1.9216741683        0.8984888652
  H         3.4179186798       -2.1195362363        2.2672444979
  H         5.2334680442       -4.2560408964        1.0443493296
  H         3.4730820708       -4.1915822951        0.9859813906
  H         4.2495048342       -5.8251315100        2.7072916502
  H         3.3768856401       -4.5113338789        3.4767823222
  H         5.5069053065       -4.9679034667        4.7295129807
  H         6.4347883905       -4.7145535909        3.2518487274
  H         6.4696717783       -2.6751051597        4.6716816497
  H         4.7077683388       -2.6461863778        4.7295853482
  H         4.1634211090        0.2206756748        1.3142105472
  H         5.6295480396        2.6798016139        2.4017468876
  H         3.9446593371        2.2649290411        2.7216497188
  H         4.1312073804        3.9118665176        0.8346049415
  H         3.4304984145        2.3958384395        0.2796073818
  H         6.3564647193        3.2643225461       -0.0688180485
  H         5.1505308808        3.1619346424       -1.3469540377
  H         6.6809609757        1.1480186435       -1.3188127656
  H         4.9865127672        0.7082371830       -1.0783125487
  H         7.1294792838        0.9612770849        1.1065604970
  H         6.4154099172       -0.5357619640        0.5145225793
  H         2.1374752577        0.3831077982        2.4454307475
  H         2.1418870522       -1.9447297611        3.8337967555
  H         0.7206544136       -1.6028951671        6.0129817787
  H         2.2435391462        0.1040929774        7.3299331781
  H         2.2749754735        2.4337291677        5.9496444965
  H         0.7471247346        2.1534303808        3.8296058618
  H        -0.5915829743        0.7527110598        5.7208151778
  H        -0.6371635654       -0.1561928897        4.1709767830
 Rh        14.7454055408       19.6491319972       14.9449376940
  P        13.0058245353       19.2243186396       13.4833082602
  C        13.1746662841       20.2199225226       11.9270800620
  C        13.5429923170       21.6905899888       12.2058784966
  C        13.8461151430       22.4231556629       10.8883052849
  C        12.6657080447       22.3375052313        9.9110648038
  C        12.2354745056       20.8827956374        9.6711251667
  C        11.9631605501       20.1300761567       10.9864007651
  C        12.7273204782       17.4675069514       12.9262141572
  C        13.7670462082       17.0440756149       11.8677213025
  C        13.6714174368       15.5508228259       11.5162468170
  C        13.7473967185       14.6687894325       12.7657337375
  C        12.6413123097       15.0491985501       13.7544213769
  C        12.7407574478       16.5299673580       14.1535156095
  C        11.3881615456       19.7385355901       14.2628583034
  C        11.4277160861       19.6101082032       15.7959602199
  P        13.0862330016       20.1143348733       16.4817498236
  C        12.8811093882       21.8848206787       17.0170494885
  C        14.0047150704       22.2806159935       17.9979743180
  C        14.0205594212       23.7849776652       18.2979425865
  C        14.0683714702       24.6181698131       17.0146204948
  C        12.8626166000       24.2912363487       16.1290266484
  C        12.8417976082       22.7970265870       15.7703451995
  C        13.3315380823       19.1500197177       18.0451116340
  C        13.6135856739       17.6615077395       17.7640969469
  C        14.0061169588       16.9383516952       19.0622407676
  C        12.9277311322       17.0995909691       20.1445706679
  C        12.6021236318       18.5806455437       20.3965215712
  C        12.2220237854       19.3153763179       19.0968640857
  C        16.4960880369       19.6045840250       16.3099779364
  C        16.5004644824       20.8205906246       15.6217306642
  C        17.3373163510       20.6038207267       14.3457581249
  C        16.4515041975       19.6491974681       13.5156294970
  C        16.4442222542       18.4333570435       14.2020939895
  C        17.3271724795       18.6253782477       15.4517503606
  C        18.3948808752       19.6017058234       14.8848161142
  H        14.0402116276       19.7537999803       11.4271708575
  H        12.7079635671       22.1917108929       12.7183044545
  H        14.4054325494       21.7418282201       12.8885585649
  H        14.0975993668       23.4729555904       11.0930881049
  H        14.7408861002       21.9759121002       10.4306097230
  H        12.9308288774       22.8148985142        8.9559915945
  H        11.8171794023       22.9088360752       10.3125097428
  H        11.3309984358       20.8493885893        9.0456304251
  H        13.0300353126       20.3584133225        9.1171298985
  H        11.7066877344       19.0847598406       10.7719000755
  H        11.0868798932       20.5688806281       11.4818788262
  H        11.7253734125       17.4335595905       12.4675783344
  H        13.6387833307       17.6408613086       10.9550220228
  H        14.7797725187       17.2615029962       12.2358588095
  H        12.7223997626       15.3564507084       10.9968440144
  H        14.4724598866       15.2952788060       10.8082546244
  H        13.6720201817       13.6096084924       12.4808348832
  H        14.7295438104       14.7826124124       13.2483099808
  H        11.6607050280       14.8502061189       13.3005198544
  H        12.6955510469       14.4339892921       14.6628717452
  H        11.9176037375       16.7875748703       14.8363290346
  H        13.6726105157       16.6961343865       14.7178635500
  H        10.5592117278       19.1559234331       13.8355064122
  H        11.2234848793       20.7854133719       13.9706900729
  H        10.6268943764       20.1981939321       16.2670198360
  H        11.2755062871       18.5641473453       16.0971805445
  H        11.9124872921       21.9581470311       17.5376718977
  H        13.8979432086       21.7220105330       18.9378663814
  H        14.9795677332       21.9902736079       17.5827732001
  H        13.1204692839       24.0532810155       18.8694003780
  H        14.8810153331       24.0110028367       18.9416096376
  H        14.0973431469       25.6877756166       17.2629155943
  H        14.9994894479       24.4104774027       16.4662752609
  H        12.8786537827       24.8801390646       15.2001379958
  H        11.9358679684       24.5630201477       16.6545169654
  H        11.9492935063       22.5706521741       15.1691246281
  H        13.7116666827       22.5652807012       15.1350392048
  H        14.2579286129       19.5856436628       18.4560451363
  H        12.7167258814       17.1855301060       17.3403960267
  H        14.4073061742       17.5656059080       17.0065346070
  H        14.1858046483       15.8745336088       18.8511586841
  H        14.9607172089       17.3466219898       19.4280319601
  H        12.0143663343       16.5736348048       19.8295906027
  H        13.2532108596       16.6198861485       21.0789429031
  H        11.7803757444       18.6735950076       21.1219983748
  H        13.4785522612       19.0746659410       20.8462935945
  H        11.2821250749       18.9039064769       18.7059574747
  H        12.0368538238       20.3766609970       19.3069201915
  H        16.2533482758       19.4468676479       17.3569507778
  H        16.2457015734       21.8006927671       16.0149635952
  H        17.6793727788       21.5078777397       13.8364653889
  H        16.1713881202       19.8178808455       12.4799352504
  H        16.1461723388       17.4624121269       13.8166815548
  H        17.6609094855       17.7106182344       15.9476872160
  H        19.0057237681       19.1551464942       14.0939299113
  H        19.0350151257       20.0344845599       15.6616472045
 Rh         5.8925403656       10.0431735455       15.0414880047
  P         4.0884675261        9.6536193215       13.6454140740
  C         3.7212941227        7.8855526308       13.1860774199
  C         3.8273444397        6.9923222789       14.4407882711
  C         3.7673187483        5.4934395887       14.1074404035
  C         4.8143228232        5.1103654238       13.0599021722
  C         4.5931949870        5.9227100526       11.7842323727
  C         4.6730840709        7.4290596953       12.0687526222
  C         2.5158398497       10.2659972538       14.4347715696
  C         2.5832585337       10.1409370521       15.9648199123
  P         4.2792599459       10.5821813510       16.6003503056
  C         4.1399589380       12.3657030608       17.0970393371
  C         4.0888281896       13.2430264438       15.8259998231
  C         4.1452947425       14.7451057715       16.1400116897
  C         5.3749922729       15.0709149074       16.9910120226
  C         5.3464238029       14.2660893626       18.2923994944
  C         5.3012443043       12.7564485791       18.0313832674
  C         4.5012759259        9.6234919680       18.1685605105
  C         4.7242413772        8.1256696149       17.8827283609
  C         5.0271286714        7.3658470606       19.1816936648
  C         3.9143348121        7.5670053534       20.2198479058
  C         3.3830012665        9.8407640016       19.2000430602
  C         3.6754619509        9.0593704243       20.4934267235
  C         4.2810502579       10.6023762590       12.0634824938
  C         4.7422712025       12.0527517666       12.3133073298
  C         5.0758859498       12.7441606325       10.9814180265
  C         3.8878378706       12.7074264544       10.0097304893
  C         3.3661753420       11.2769771457        9.8066630213
  C         3.0519440011       10.5807514782       11.1442362192
  C         7.7188724148       11.1470058079       15.6523207036
  C         7.5220691274        8.7246843233       14.3076454308
  C         8.4332177858        8.9087345248       15.5390745783
  C         9.5423788875        9.8121858489       14.9299551196
  C         8.5274044797       10.8505327118       14.3732191189
  C         7.6640633957        9.9538501655       16.3771415845
  C         7.5797031230        9.9179564411       13.5849272901
  H         2.6872805931        7.8533987891       12.8055200981
  H         4.7806366302        7.2099680314       14.9486094153
  H         3.0325075621        7.2450240096       15.1572290988
  H         2.7671635265        5.2296596888       13.7365280635
  H         3.9189523236        4.9289396891       15.0332576361
  H         5.8237800239        5.2969794934       13.4570165942
  H         4.7729413167        4.0340783813       12.8409639982
  H         5.3306035416        5.6595860048       11.0138539003
  H         3.6049885234        5.6802711558       11.3683040916
  H         4.4457851482        7.9858339220       11.1545328644
  H         5.7085926135        7.6831854228       12.3389764931
  H         2.4017382126       11.3176522505       14.1379872600
  H         1.6503431243        9.7252778699       14.0255071481
  H         1.8231198878       10.7675532942       16.4526205381
  H         2.3924820289        9.1039394972       16.2732666845
  H         3.1897800789       12.4810945801       17.6432502256
  H         4.9398624601       12.9757229135       15.1793317870
  H         3.1787897054       13.0180424165       15.2522992026
  H         4.1544003892       15.3074047271       15.1943844004
  H         3.2343420159       15.0490830755       16.6752764385
  H         5.4270997436       16.1440452240       17.2169042558
  H         6.2895742558       14.8376449916       16.4253803182
  H         6.2222992379       14.4981403031       18.9106354485
  H         4.4612553795       14.5576327161       18.8756032639
  H         6.2569335071       12.4378206193       17.5922423523
  H         5.2119575798       12.2210657429       18.9867623280
  H         5.4395579873       10.0247318519       18.5871562265
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  H        10.0827711706       11.5548607089        5.2382541401
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  F         7.3227031790       10.8263585714       -0.2859259322
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  C         6.3763945391        7.8168753085        2.4396426135
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  C         5.1340413803        9.4686149283        3.7796884910
  C         5.6739746918       10.4563510688        2.9266266215
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  F         0.2479527714        5.0643507207        4.3368160061
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  F        11.2059504596        9.0230948433       20.1817746063
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  C        11.4252054058       11.0315813941       18.1771351975
  C        11.8755720091       12.0107675139       17.2922904561
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  C        13.2236968110       10.3755847045       16.0462457465
  C        12.7356855330        9.3956488646       16.9382332528
  B        14.1474249750        9.9813945298       14.7486690187
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  C        15.7563399521       12.0593232655       15.2005589661
  C        16.6976761715       13.0243099249       14.8192782442
  C        17.0938233464       13.1468270399       13.4785680048
  C        16.5257000822       12.2745107123       12.5377966352
  C        15.5863324547       11.3137829325       12.9381134626
  C        16.8376563924       12.3939828844       11.0616720585
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  F        15.7318242927       12.8207121062       10.3468600550
  F        17.2157404825       11.1943936763       10.4957978301
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  F        18.1349204796       14.8433663824       15.4074010167
  F        17.8244936945       13.2574136881       16.9320961505
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  C        12.4521011477       10.6715177902       12.8098144398
  C        11.4812030701       10.4115400294       11.8335018372
  C        11.0662528472        9.1037924078       11.5702826806
  C        11.6150116345        8.0730144616       12.3335890776
  C        12.5774838598        8.3385130021       13.3153066896
  C        11.0225701808        6.6995534435       12.2166668304
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  F        11.9102779292        5.6913578550       12.4750425391
  F        10.0001412672        6.5662593087       13.1335911878
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  F        10.6163734380       12.6540920099       11.7397912477
  F        11.7409855469       11.8887881611        9.9856615738
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  C        15.8002907084        8.5302443603       16.3066245999
  C        16.7351229791        7.5041613253       16.4960465804
  C        17.0548189291        6.6304374026       15.4509085340
  C        16.4555908567        6.8234505534       14.2124082813
  C        15.5483549165        7.8684369315       14.0145763711
  C        17.4311063395        7.2194173816       17.8002157319
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  F        16.7835457237        6.2626719119       18.5527081822
  F        18.6881286916        6.7243601261       17.5414204316
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  F        10.4599129470       13.7328961213       16.4337262545
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  F        17.6100467198        4.8778363859       13.4823719704
  F        17.3735032035        6.5382852395       12.0289266527
  F        15.6421852512        5.3333101812       12.5462474874
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  H        13.0809408455       12.4783189409       15.5779015846
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  H        17.7596492508        5.8212391361       15.6022661055
  H        15.1232022673        8.0031497703       13.0210309481
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  F         3.3542680193       17.0686732199       18.6428979382
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  C         4.1646061393       19.0034563349       16.8218996227
  C         4.6733090830       19.9963257790       15.9584036051
  C         4.2486250159       21.3103208917       16.2099469145
  C         3.4005010134       21.6214683659       17.2784985195
  C         2.9280257973       20.6352151721       18.1362241790
  C         2.8950150880       23.0167408959       17.4350939293
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  F         3.8875885662       23.9575168661       17.3173586244
  F         1.9712002116       23.2878201952       16.4405194867
  B         5.5993219782       19.6273612595       14.6589348130
  C         6.6233742161       18.3964507755       14.9842664052
  C         7.2261069632       18.2601929654       16.2498310749
  C         8.1905962305       17.2808417295       16.5079869724
  C         8.5923749762       16.3854791858       15.5159899773
  C         8.0074533126       16.5093098321       14.2579924350
  C         7.0551401597       17.5001089562       13.9935996459
  C         8.3995797077       15.5845015124       13.1504539130
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  F         9.2011791709       14.5615185046       13.5735826588
  F         9.0971494155       16.2365128408       12.1688686904
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  F         9.9951747838       16.5643900847       17.8997840693
  F         7.9473255236       16.3834526953       18.7057486900
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  C         7.1982004353       21.6948891877       15.2065888907
  C         8.1323643204       22.6763482265       14.8576519619
  C         8.5409990803       22.8443694173       13.5296672510
  C         7.9936051750       21.9966022506       12.5674322993
  C         7.0549912800       21.0185730881       12.9211169839
  C         8.3733540814       22.1184768243       11.1196474688
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  F         9.3544171228       23.0291787446       10.8652798530
  F         7.3038460548       22.5085325855       10.3455037435
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  F         7.6803865671       24.3493500340       16.5086662132
  F         9.3136533391       22.8903383183       16.9348004506
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  C         4.0364234535       17.9891325300       13.2325202789
  C         3.0604017210       17.7218369469       12.2607026965
  C         2.5246622233       18.7419798282       11.4815594293
  C         2.9809229058       20.0436845663       11.7083849314
  C         3.9514798994       20.3100442409       12.6790672464
  C         2.3719687524       21.1378509130       10.8870905631
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  F         1.0652776546       21.3976762513       11.2282795334
  F         3.0229799918       22.3246133966       11.0043758695
  C         2.4842548095       16.3429555884       12.1624860836
  F         1.9166303375       16.0501329166       10.9508983697
  F         3.4147923321       15.3728149797       12.4032122029
  F         1.5076418161       16.1854511304       13.1291050084
  H         4.4299310727       17.9612451009       16.6538339118
  H         4.5795427187       22.1149847894       15.5551509308
  H         2.2615077469       20.8815697890       18.9575828276
  H         6.9429566742       18.9381166178       17.0537888906
  H         9.3304843415       15.6166120885       15.7203701642
  H         6.6443948054       17.5687948583       12.9873035820
  H         6.9155163977       21.5963112345       16.2542963253
  H         9.2532908294       23.6155783342       13.2540412736
  H         6.6559442376       20.3749077500       12.1382208962
  H         4.4145428177       17.1597375704       13.8279738153
  H         1.7668662826       18.5307864097       10.7314107711
  H         4.2686424148       21.3405696881       12.8272690373
  F        15.6689324726        1.2776635972       -0.2959210780
  C        15.7154068534        1.6381490378        1.0305143856
  F        17.0479101042        1.9011020826        1.2560025002
  F        15.0451796947        2.8213180503        1.1720949119
  C        15.1605638184        0.5616027916        1.9220527501
  C        14.2905087983        0.8699945327        2.9764151273
  C        13.7717430314       -0.1216561060        3.8378734088
  C        14.2030620472       -1.4356740842        3.5888724700
  C        15.0705879801       -1.7514806888        2.5319788949
  C        15.5560634329       -0.7602092394        1.6814812235
  C        15.5156121619       -3.1765999295        2.3744681118
  F        16.1059912369       -3.4461641642        1.1771630541
  F        14.4811876354       -4.0573306130        2.4985788502
  F        16.4159319690       -3.5173120672        3.3714503225
  B        12.8251778996        0.2562067562        5.1307370563
  C        11.7918684071        1.4859497324        4.8052444167
  C        11.2016155536        1.6355352324        3.5344670524
  C        10.2098980584        2.5923313545        3.2871501848
  C         9.7685581953        3.4455809439        4.3003824598
  C        10.3371252453        3.3106551400        5.5679055938
  C        11.3240871105        2.3484082772        5.8139343019
  C         9.8897289671        4.2083228447        6.6844301749
  F        10.9420019279        4.8811811427        7.2600146503
  F         8.9696230911        5.1293088069        6.2458125885
  F         9.2892051988        3.5294887193        7.7097477495
  C         9.6505218076        2.7505291262        1.9045902557
  F         9.5531429846        1.5424724944        1.2525925258
  F         8.4025395607        3.3342235425        1.9082220829
  F        10.4444839531        3.5344404720        1.1040992626
  C        11.7926172830       -0.9551900647        5.5536443114
  C        11.2370900350       -1.8318220237        4.6020551337
  C        10.2808209535       -2.7962211240        4.9447988283
  C         9.8211731717       -2.9176561235        6.2631880825
  C        10.3415574787       -2.0432046612        7.2224577178
  C        11.3050905860       -1.0861160627        6.8691010698
  C         9.9753000123       -2.1734734862        8.6804791989
  F         9.5874627643       -0.9764816886        9.2418534817
  F         8.9661636328       -3.0534162108        8.9439174683
  F        11.0735340168       -2.6056830719        9.3945633850
  C         9.7426170987       -3.6928819933        3.8619118627
  F         8.8094420102       -4.5666535218        4.3324874532
  F        10.7090835704       -4.4486820333        3.2356156210
  F         9.1314152084       -2.9667901466        2.8624257957
  C        13.8924226147        0.6118049964        6.3314936505
  C        14.3805225385        1.9129214828        6.5538103614
  C        15.3557229881        2.1887038627        7.5261605631
  C        15.8881853302        1.1711390035        8.3142645215
  C        15.4310797879       -0.1333751310        8.0979770445
  C        14.4605673294       -0.4050535583        7.1276405979
  C        16.0227410669       -1.2260851122        8.9388172895
  F        16.0272266409       -0.8692927825       10.2726665535
  F        17.3371718496       -1.4881908352        8.6488822926
  F        15.3658819896       -2.4121842235        8.8081460894
  C        15.9106174516        3.5789660594        7.6409585162
  F        16.4693193227        3.8595482835        8.8602455628
  F        14.9664703332        4.5359810558        7.4110273212
  F        16.8819160518        3.7910478868        6.6806981225
  H        14.0122815638        1.9105064361        3.1346946015
  H        13.8567238950       -2.2423406245        4.2335446729
  H        16.2270533676       -1.0082477071        0.8631226826
  H        11.5115039193        0.9818693011        2.7199436431
  H         9.0043752781        4.1904510499        4.1035874778
  H        11.7297301975        2.2669993101        6.8217344406
  H        11.5545819520       -1.7661582095        3.5617265408
  H         9.0942956836       -3.6774864190        6.5360889136
  H        11.6896626579       -0.4272747854        7.6471013856
  H        13.9991971925        2.7382217682        5.9537715983
  H        16.6416029037        1.3871738295        9.0676482520
  H        14.1379437236       -1.4353042811        6.9884481034
  H        11.4480732417        7.5244589836        4.5024282342
  H        11.2262699745        8.3685784916        6.7342348806
  H        11.5132564360        9.6549129180        3.3099983757
  H        11.4090111017       10.6233928384        5.8503313385
