     545
 i =        1, E =     -1890.6575161738
 Ir         0.2646841752       10.9892134781        4.8940716472
  P         1.1046843649       11.4085929661        6.9246296333
  P        -1.1131350253       11.0233422603        3.0786218312
  O         0.1063576195       12.6884990039        7.4845877836
  O        -2.0493295548       12.4331061318        3.3795918929
  N        -0.9679651051       12.6246450564        5.4285994716
  C        -0.6151895559        9.7537945189        6.3473155194
  H        -1.6257119852       10.1187498215        6.5586516113
  H        -0.6599121952        8.7234110320        5.9767058563
  C         0.2957451869        9.8714381937        7.6110576594
  C         1.3082240071        8.7167326249        7.6706979496
  H         1.8632523699        8.6154098026        6.7296451512
  H         0.7584052967        7.7826917535        7.8463340637
  H         2.0223724556        8.8430024728        8.4939677431
  C        -0.4856447598       10.0220090345        8.9265751040
  H         0.2290901939       10.1629918675        9.7939638412
  H        -1.0719874600        9.1056306318        9.0944514663
  H        -1.1711950182       10.8774060533        8.8949932021
  C         3.8211086791       11.0504384716        7.0233204229
  H         3.8141073580       11.0304719744        5.9282305383
  H         3.7085084018       10.0180158266        7.3658019547
  H         4.8070879291       11.4231330377        7.3337198442
  C         2.7320560862       11.9789485510        7.5861780699
  C         2.7491963446       11.9567745131        9.1232402432
  H         1.9454641189       12.6354385460        9.5600624299
  H         3.7317521060       12.3000426619        9.4786828533
  H         2.5877544721       10.9028439893        9.5219867213
  C         2.9417078390       13.4127815754        7.0644527747
  H         3.9452298238       13.7689036259        7.3307032169
  H         2.2134392044       14.1305962030        7.4560715419
  H         2.9315948876       13.4676969046        5.9687073967
  C        -0.8358223045       13.2012509526        6.6488108284
  C        -1.6218724585       14.2711866092        7.0429218587
  H        -1.4937788525       14.7122745317        8.0250629453
  C        -2.5674118198       14.7528068218        6.1347376116
  H        -3.1875143240       15.6072130616        6.4024735324
  C        -2.7380042072       14.1578817988        4.8830869916
  H        -3.4771337626       14.4992450938        4.1656560536
  C        -1.9207045845       13.0801592166        4.5716150818
  C         0.0195128708       11.6844223750        1.7478649961
  C         1.0250786454       12.5037771474        2.5945338871
  H         1.5005190499       11.8779888883        3.4070783760
  H         0.5650777000       13.4012359109        3.0175326557
  H         1.8741904188       12.8195566082        1.9677735695
  C        -0.6440365103       12.5674460324        0.6812899805
  H        -1.2957305407       11.9550324797       -0.0115915324
  H         0.1463818862       13.0390399627        0.0798681528
  H        -1.2460572267       13.3543310880        1.1476941493
  C         0.7465678125       10.4992087542        1.0954592292
  H         1.1634972864        9.7994886977        1.8277352147
  H         1.5981613102       10.8645005888        0.5026829536
  H         0.0768613083        9.9325719598        0.4397613449
  C        -2.4364101549        9.8191381053        2.5591664081
  C        -3.0777934388       10.1851695020        1.2129439655
  H        -3.4643365317       11.2120509491        1.1927273613
  H        -3.9246319363        9.5106009776        1.0223736657
  H        -2.3722183568       10.0624577447        0.3828420992
  C        -1.8049906384        8.3999689096        2.5432376602
  H        -1.0202179101        8.3427540355        1.7595312133
  H        -2.6375945852        7.6942096496        2.3154067295
  H        -1.3743729473        8.1853565663        3.5464187212
  C        -3.5065349469        9.9060786989        3.6801272315
  H        -3.0590407696        9.6510432585        4.7040005803
  H        -4.3018228745        9.1112111888        3.4504916983
  H        -4.0043812037       10.9340911175        3.7175218545
  H         1.1993035201        9.7504100866        4.5011559564
 Ir         9.3370457702        7.2831183788       15.0105490391
  P         8.5027144829        6.8424669906       12.9841163163
  P        10.7061147797        7.2773944305       16.8360221002
  O         9.5160223475        5.5592192067       12.4293002767
  O        11.6551513605        5.8611140221       16.5479975406
  N        10.5810632426        5.6518719973       14.4912442909
  C        10.2311974951        8.5174421196       13.5467865841
  H        11.2676363138        8.1303250664       13.3211376754
  H        10.2553498485        9.5898343767       13.9068831604
  C         9.3103589623        8.3693565593       12.2567202161
  C         8.2727138753        9.5358441414       12.1984625019
  H         7.7121699525        9.6403906968       13.1895624569
  H         8.8597058641       10.5005155804       12.0080219333
  H         7.5346301743        9.3759007778       11.3384970186
  C        10.0890097449        8.2101929455       10.9137689695
  H         9.3251734945        8.0454907988       10.0763901628
  H        10.6914627815        9.1608758855       10.7841524239
  H        10.8263016515        7.3636305593       11.0138918224
  C         5.7954488060        7.1563564039       12.9185139346
  H         5.8296062672        7.2248578156       14.0120885184
  H         5.8816184203        8.1867271670       12.5679329596
  H         4.8038107222        6.7924145631       12.6205617256
  C         6.8831290587        6.2298407347       12.3475644227
  C         6.8652399238        6.2455399614       10.8102958183
  H         7.6332355489        5.5843899600       10.3838448504
  H         5.8373998892        5.8827156313       10.4632330715
  H         6.9919830789        7.3025899397       10.3960060970
  C         6.6971455937        4.7995645286       12.9013925351
  H         5.6555250599        4.4363310537       12.6022879415
  H         7.4353418667        4.1008556345       12.4873490524
  H         6.7570253165        4.7813128021       14.0424413210
  C        10.4491465396        5.0508960102       13.2770908923
  C        11.2364536960        3.9630853075       12.9172166793
  H        11.1001541971        3.5133664630       11.9407333139
  C        12.1692662082        3.4841930866       13.8350150520
  H        12.7822413986        2.6236470773       13.5837264350
  C        12.3327738049        4.1091230375       15.0755251733
  H        13.0908968436        3.7614752903       15.8309763723
  C        11.5208392066        5.2022071960       15.3658247527
  C         9.5508181648        6.6225563712       18.1453206430
  C         8.5521931652        5.8120235426       17.2845965005
  H         8.0963361887        6.4173073087       16.4450156013
  H         8.9894927440        4.9166317368       16.8402050364
  H         7.6773959971        5.4925502984       17.8721345458
  C        10.1786527217        5.7174723676       19.2081200704
  H        10.8383641806        6.3155918762       19.9233987875
  H         9.3750611995        5.2402520693       19.7914398329
  H        10.8182750802        4.8972308879       18.7447861694
  C         8.8282335958        7.8104479848       18.7946524038
  H         8.4209454935        8.5424511822       18.0229173138
  H         7.9437011140        7.4137304832       19.3995855537
  H         9.5023360763        8.3367966596       19.4830209988
  C        12.0345586711        8.4676352184       17.3779517725
  C        12.6492204749        8.0896335451       18.7384765429
  H        13.0385784511        7.0612923793       18.7542525355
  H        13.5163151014        8.8071281502       18.9485015634
  H        11.8884830048        8.2163353032       19.5833177789
  C        11.3985140100        9.8711049200       17.3899145073
  H        10.6084307327        9.9776972353       18.1421650114
  H        12.1839252494       10.6007427926       17.6328292642
  H        10.9813769215       10.1407976877       16.4063033336
  C        13.1138730019        8.3894120555       16.2674515482
  H        12.6871301027        8.6481775113       15.2267156882
  H        13.9132594230        9.1776991651       16.5081336600
  H        13.6257065258        7.3650861572       16.2403837361
  H         8.4033295516        8.5549303314       15.3707996794
 Ir         5.1124165355       16.4046530361       14.8868604068
  P         5.9464196511       15.9841204036       16.9221980962
  P         3.7257704568       16.4039459557       13.0762783680
  O         4.9282434715       14.7110152606       17.4904763883
  O         2.7570636270       15.0062866726       13.3870615244
  N         3.8541473127       14.7929573876       15.4320760208
  C         4.2153013492       17.6637670317       16.3214658717
  H         3.1782063588       17.2837223151       16.5575776886
  H         4.2043228682       18.7344453676       15.9575940521
  C         5.1370806493       17.5279480789       17.6092816532
  C         6.1787412994       18.6900167570       17.6786892844
  H         6.7322090233       18.7936019131       16.6851039900
  H         5.5826853449       19.6640773697       17.8688832707
  H         6.8920463474       18.5512880358       18.5666849506
  C         4.3386084420       17.3572433329       18.9344216497
  H         5.0597982077       17.2531800811       19.8313622286
  H         3.7474854926       18.3465990544       19.1212846028
  H         3.6040091990       16.4913143386       18.8824844749
  C         8.6614623357       16.3099504270       17.0230416229
  H         8.6347716066       16.3330138822       15.8963256044
  H         8.5477875045       17.3761117990       17.3581453441
  H         9.6424028189       15.9365109084       17.3596317074
  C         7.5602775163       15.3934536188       17.6029019206
  C         7.5504494234       15.4524524457       19.1396589790
  H         6.7759232668       14.8035564727       19.5739080853
  H         8.5748432394       15.1128608032       19.5170220255
  H         7.4226510905       16.5207305266       19.5242696105
  C         7.7588153794       13.9571708680       17.0930078601
  H         8.7518109980       13.6037431776       17.3902526008
  H         7.0273670942       13.2581409328       17.5044731217
  H         7.7169276261       13.8927098739       15.9998983238
  C         3.9911669048       14.2005908703       16.6479619482
  C         3.2055713191       13.1164807446       17.0197155602
  H         3.3488924399       12.6728985211       17.9970937162
  C         2.2614862917       12.6415969863       16.1117004459
  H         1.6510707933       11.7822874550       16.3725051278
  C         2.0889551092       13.2584841414       14.8714990857
  H         1.3283610164       12.9272744281       14.1217077437
  C         2.8987691617       14.3490249358       14.5699178237
  C         4.8523063512       15.7305881876       11.7442759319
  C         5.8396754391       14.8865566672       12.5959146182
  H         6.3490425894       15.5315025418       13.4303588124
  H         5.3516600774       13.9709859213       13.0620149740
  H         6.6893373399       14.5542496575       11.9741455329
  C         4.1675429228       14.8447933746       10.6936511791
  H         3.5115105250       15.4600891742        9.9871231282
  H         4.9464452500       14.3454073866       10.0943033044
  H         3.5183328882       14.0387492996       11.1729085967
  C         5.5968282847       16.9044278188       11.0914294348
  H         6.0265952833       17.5889206685       11.8360611629
  H         6.4480620823       16.4691499436       10.4611268896
  H         4.8961896360       17.4717308964       10.3917612952
  C         2.4091430502       17.6165028238       12.5686949627
  C         1.7768717675       17.2637494488       11.2109051931
  H         1.3592672954       16.2467091346       11.2037678952
  H         0.9196786031       17.9983532316       11.0206983938
  H         2.5236332881       17.3724306706       10.3503355368
  C         3.0788808837       19.0054156992       12.5591152549
  H         3.8516058699       19.1044302873       11.7885791271
  H         2.3219368767       19.7606588828       12.3096756050
  H         3.5095963221       19.2808029823       13.5305143166
  C         1.3512779795       17.5584105269       13.6964973821
  H         1.8014379827       17.8218565230       14.7166936981
  H         0.5634190308       18.3741605972       13.4405257954
  H         0.8214713633       16.5579599891       13.7051217787
  H         6.0571144499       17.6648143053       14.5065692128
  F         7.0790902799       10.4962362458       16.9301587515
  F         5.9860500215        8.9040401995       17.9854681142
  F         5.3252217411       10.9851860712       18.1560182771
  F         5.7628140647       11.6567380059       12.4269583438
  F         4.6299486970       10.0654055377       11.4320404012
  F         3.5860658994       11.8453564596       12.1557906898
  F         2.9373668306        6.0423440869       10.3212985543
  F         1.7532425652        4.2089730945       10.6016168444
  F         3.3225396314        4.7539474275       12.0478566560
  F        -2.6956041784        7.9295340867       11.3292311800
  F        -2.7382571692        5.7334266949       11.2645785784
  F        -3.2419517177        6.7793252884       13.1246445871
  F        -1.7924910148        4.7578053180       17.9939394379
  F        -1.0251216807        5.9794695670       19.6455057282
  F        -0.5019991672        3.8441472775       19.5360811275
  F         4.1457464988        3.4121177565       16.0880956018
  F         5.1928195245        4.9395558196       17.2660806969
  F         4.1390402604        3.2876577876       18.2747880676
  F        -1.9657436096       11.7752796767       13.6589927341
  F        -1.2272127141       13.4740468509       14.8815087343
  F        -3.1083518526       12.4440655325       15.4301627821
  F        -1.1369841206       11.7866728931       19.9340975108
  F        -0.5633881860        9.6468580435       20.1555060593
  F         0.9810740958       11.1440316735       19.8840199868
  C         2.8254674116        8.9562270775       15.1718679200
  C         3.7338916535        9.1399752116       16.2349849742
  H         3.5104861941        8.6889828570       17.2284169946
  C         4.9195679442        9.8738850342       16.0833407497
  C         5.2345214545       10.4741245110       14.8584639351
  H         6.1701065526       11.0569085777       14.7326803388
  C         4.3376129477       10.3139769899       13.7990970607
  C         3.1596484532        9.5702768934       13.9555629451
  H         2.4730661583        9.4665636638       13.0853811226
  C         5.8235297692       10.0599326396       17.2703619229
  C         4.5893065063       10.9608893984       12.4728776069
  C         0.8344413119        7.5114359105       13.9908594309
  C         1.7288474660        6.7656930517       13.1978009002
  H         2.8028760649        6.7274948667       13.4880552058
  C         1.3107493061        6.0388614055       12.0768607255
  C        -0.0332584675        6.0414641116       11.6850281376
  H        -0.3692689349        5.4748344576       10.7921092688
  C        -0.9425559447        6.7630293158       12.4632563920
  C        -0.5160366243        7.4760530758       13.5977658939
  H        -1.2825039756        8.0087683401       14.2046356673
  C         2.3134485559        5.2686975559       11.2701533872
  C        -2.3866248719        6.7955317887       12.0493441460
  C         1.5377116093        6.9058327265       16.3878391682
  C         0.4465238338        6.4552712764       17.1460386169
  H        -0.5139999829        7.0165592835       17.1044779085
  C         0.5279211282        5.3260445746       17.9668924981
  C         1.7035544926        4.5744428026       18.0370265815
  H         1.7697108463        3.6816900048       18.6918751223
  C         2.7927612661        4.9871433284       17.2618279064
  C         2.7088411858        6.1331697212       16.4597614414
  H         3.6027809668        6.4360222720       15.8693216999
  C        -0.6771378167        4.9655347086       18.7778227662
  C         4.0509414085        4.1724522063       17.2309586161
  C         0.4253294656        9.3482480978       16.0264873326
  C        -0.3055484048       10.2593991848       15.2357907823
  H        -0.2908979844       10.1521514129       14.1280514089
  C        -1.0612927426       11.2929854201       15.8020697468
  C        -1.0907081185       11.4863079478       17.1871231423
  H        -1.6828700042       12.3101063948       17.6432366916
  C        -0.3459352914       10.6147536667       17.9801532505
  C         0.3930333608        9.5663886241       17.4160645866
  H         0.9667847254        8.8963308642       18.1005823470
  C        -1.8424285196       12.2456547660       14.9381224639
  C        -0.2812199606       10.8081412084       19.4707052243
  B         1.3900854853        8.1877613456       15.3840810000
  F        -9.0567238777       19.6480482846       13.0449335325
  F        -7.9673355246       18.0565054221       11.9901126599
  F        -7.3039503583       20.1381010298       11.8205367732
  F        -7.7390588902       20.8103047816       17.5484120477
  F        -6.6071573753       19.2176624526       18.5439769543
  F        -5.5619470740       21.0002181576       17.8225227244
  F        -4.9128953099       15.1962938775       19.6544565589
  F        -3.7301852671       13.3613138347       19.3755438381
  F        -5.2988078636       13.9063675252       17.9285747020
  F         0.7224819947       17.0231709044       18.6489815878
  F         0.7801594172       14.8269818151       18.6530627069
  F         1.2759860126       15.9292437952       16.8230695423
  F        -0.1847564455       13.9092110820       11.9823169929
  F        -0.9544331057       15.1280927190       10.3294199387
  F        -1.4728650859       12.9939725374       10.4375791891
  F        -6.1236201303       12.5649862313       13.8904544316
  F        -7.1711340565       14.0921263012       12.7100708136
  F        -6.1165699549       12.4418038355       11.7022037872
  F        -0.0104897225       20.9287797359       16.3209480650
  F        -0.7504303196       22.6279872132       15.0955078441
  F         1.1317296280       21.5975252982       14.5463363277
  F        -0.8320536773       20.9544813054       10.0191639493
  F        -1.3790809490       18.7416886217        9.7817762673
  F        -3.0254388520       20.3370067059       10.0735893135
  C        -4.8032455007       18.1100843777       14.8055205594
  C        -5.7124892391       18.2911228786       13.7401312255
  H        -5.4929089426       17.8389709494       12.7463296977
  C        -6.8965771604       19.0272011879       13.8936897848
  C        -7.2098649287       19.6302653546       15.1178001886
  H        -8.1454231226       20.2145678418       15.2418878416
  C        -6.3131359027       19.4705165351       16.1777729787
  C        -5.1346383368       18.7266723350       16.0233629024
  H        -4.4477728782       18.6259030739       16.8941285693
  C        -7.8009910701       19.2115343254       12.7056567215
  C        -6.5657934791       20.1162754707       17.5044406508
  C        -2.8091215846       16.6600661682       15.9855361310
  C        -3.7074096677       15.9234484523       16.7853067884
  H        -4.7872022164       15.9001250172       16.5075173736
  C        -3.2849401801       15.1870238199       17.8986257170
  C        -1.9368163973       15.1710892986       18.2762329980
  H        -1.5972549417       14.5957898894       19.1626772396
  C        -1.0264219149       15.8840804033       17.4904356887
  C        -1.4530957332       16.6092813050       16.3639905863
  H        -0.6866069996       17.1354718215       15.7530618139
  C        -4.2896211185       14.4197741223       18.7065474472
  C         0.4198362812       15.9068621795       17.8970219183
  C        -3.5145571980       16.0555468080       13.5884498370
  C        -2.4215499957       15.6046168200       12.8302420416
  H        -1.4612580190       16.1656610532       12.8689020380
  C        -2.5049320931       14.4743777189       12.0103627222
  C        -3.6812667096       13.7239897407       11.9419693906
  H        -3.7475415351       12.8303398286       11.2887648645
  C        -4.7706088938       14.1381485484       12.7164736092
  C        -4.6881783893       15.2840732155       13.5187530499
  H        -5.5821720161       15.5857056635       14.1102226913
  C        -1.2996271719       14.1140017982       11.1974218050
  C        -6.0294324613       13.3250770421       12.7477372008
  C        -2.4008425693       18.4979023162       13.9546601412
  C        -1.6686786628       19.4103306470       14.7461890516
  H        -1.6850414377       19.3021836902       15.8530735321
  C        -0.9153262884       20.4470028412       14.1822382993
  C        -0.8841961802       20.6471329956       12.7989344138
  H        -0.2962759637       21.4717154184       12.3368720409
  C        -1.6297514057       19.7675170100       12.0141377803
  C        -2.3741823527       18.7131516295       12.5626507003
  H        -2.9481932343       18.0444848377       11.8771229442
  C        -0.1329570250       21.4008014355       15.0419244191
  C        -1.6808583891       19.9705209004       10.5315785837
  B        -3.3690229553       17.3381189408       14.5940661444
  F         2.5668921967        7.8210101413        3.0481633361
  F         3.6188859680        9.4049360481        2.0095175742
  F         4.2955720967        7.2991258250        1.8409382214
  F         3.8658496306        6.6509216727        7.5439316326
  F         5.0001009939        8.2415259940        8.5448239553
  F         6.0478832287        6.4577759775        7.8270677322
  F         6.6894958867       12.2657149971        9.6644259838
  F         7.8644046236       14.0951871582        9.3740892496
  F         6.3080342973       13.5570452206        7.9452354006
  F        12.3188020175       10.3743120925        8.6575018316
  F        12.3590580303       12.5712409519        8.7235899364
  F        12.8677959442       11.5263227098        6.8554209792
  F        11.4199289154       13.5460974421        1.9930708118
  F        10.6494100726       12.3286941460        0.3334445919
  F        10.1280076882       14.4583680122        0.4484501920
  F         5.4790224398       14.8850929402        3.9006637965
  F         4.4434728954       13.3731233168        2.7212594513
  F         5.4899878389       15.0086776878        1.7015882011
  F        11.5994479162        6.5308277435        6.3254588658
  F        10.8672668086        4.8245825070        5.1032610040
  F        12.7234620072        5.8549868048        4.5644050660
  F        10.7452016109        6.5368798379        0.0543017144
  F        10.2194127015        8.6579132843       -0.1717534318
  F         8.6467874237        7.1354368907        0.1055982334
  C         6.8055515387        9.3521661734        4.8099329564
  C         5.8975043886        9.1683248490        3.7516963841
  H         6.1063241035        9.6114526650        2.7791593378
  C         4.7195448397        8.4345550259        3.9073699620
  C         4.3995125102        7.8265813223        5.1264075809
  H         3.4795275344        7.2555739505        5.2380842075
  C         5.2927391460        7.9921520787        6.1865747332
  C         6.4696301345        8.7349425676        6.0260115261
  H         7.1378535231        8.8381848240        6.8814134771
  C         3.8257032298        8.2505106326        2.7125102819
  C         5.0436859563        7.3366447265        7.5084483132
  C         8.8011468465       10.7971780444        5.9944130952
  C         7.9049584558       11.5473519216        6.7853823681
  H         6.8232465536       11.5744925503        6.4910152496
  C         8.3268411130       12.2594880910        7.9111310701
  C         9.6698405839       12.2641770205        8.2990584070
  H        10.0005700852       12.8208452852        9.1703241186
  C        10.5720443831       11.5368903513        7.5173957378
  C        10.1501110246       10.8230068411        6.3873843206
  H        10.8996731789       10.3067438500        5.7909561980
  C         7.3187777518       13.0289209865        8.7084628580
  C        12.0173452512       11.5086225115        7.9338626570
  C         8.0911219592       11.3923533349        3.5884080624
  C         9.1838862954       11.8497821028        2.8367773989
  H        10.1244636717       11.3019283218        2.8710625139
  C         9.1011184514       12.9786887950        2.0147242800
  C         7.9251897741       13.7266189924        1.9500094363
  H         7.8578316412       14.6286530165        1.2979349965
  C         6.8403470489       13.3128062611        2.7231417835
  C         6.9215513915       12.1683283546        3.5269420484
  H         6.0433440609       11.8786756428        4.1009617861
  C        10.3094750281       13.3403339562        1.2044280676
  C         5.5858016874       14.1359829340        2.7528400056
  C         9.1970412366        8.9618315140        3.9598027965
  C         9.9297190715        8.0491997895        4.7466438058
  H         9.9188673578        8.1506392364        5.8309065978
  C        10.6829316421        7.0144306666        4.1792315063
  C        10.7099086894        6.8146278810        2.7946770815
  H        11.2867804167        6.0087674771        2.3543902972
  C         9.9704094793        7.6901593340        1.9997846095
  C         9.2366009093        8.7395382920        2.5703462432
  H         8.6816289843        9.4047421872        1.9085944023
  C        11.4580496759        6.0640917953        5.0459963705
  C         9.9027676605        7.5044752675        0.5118563180
  B         8.2388323411       10.1268271661        4.6004252049
  F        18.3707178440       -1.7818519345        7.2059662179
  F        17.5929348073        0.1637534234        7.9918992224
  F        16.5238015252       -1.6940171320        8.4339531602
  F        17.4096690523       -2.4959188182        2.5134748053
  F        16.1973717659       -0.9032987493        1.5508009256
  F        15.2280116964       -2.7549822000        2.2251935804
  F        14.5340806175        3.1753811847        0.3834514947
  F        13.2419244144        4.9427345252        0.6117760524
  F        14.8037831706        4.5202788106        2.1044278653
  F         8.8808000996        1.2320630454        1.3801027114
  F         8.8699541018        3.4007163145        1.2695703773
  F         8.3454295600        2.3762857840        3.1639547356
  F         9.8142179509        4.4031214730        8.0026934553
  F        10.5837104010        3.1777546780        9.6649432756
  F        11.1040767539        5.3077468445        9.5440406883
  F        15.7499256102        5.7358023171        6.0946928829
  F        16.7998846748        4.2102932313        7.2728744300
  F        15.7383113080        5.8584309906        8.2899326752
  F         9.6296540134       -2.6143418297        3.6043751975
  F        10.3719446663       -4.3318126035        4.8839485652
  F         8.4829242276       -3.3068458657        5.4347008280
  F        10.4716041463       -2.6319487097        9.9411766251
  F        11.0232149865       -0.4737455675       10.1741853981
  F        12.6060017071       -2.0107840657        9.8880824710
  C        14.3958152663        0.1764421553        5.2055454335
  C        15.2402155880       -0.0560142854        6.3112310530
  H        14.9895401652        0.3876704949        7.2736442036
  C        16.3861516494       -0.8518576646        6.2133343491
  C        16.7385758796       -1.4489795930        4.9968902908
  H        17.6314375083       -2.0607030681        4.9165932781
  C        15.9192297345       -1.2260292097        3.8860436718
  C        14.7714053337       -0.4301417660        3.9977065836
  H        14.1306987824       -0.2726461659        3.0960552155
  C        17.2246903572       -1.0508890866        7.4420629242
  C        16.2083337238       -1.8454156852        2.5493427189
  C        12.4274934456        1.6420068569        4.0115889444
  C        13.3130678370        2.3945339379        3.2165155605
  H        14.3648878962        2.4383694126        3.4951341085
  C        12.8797359187        3.1286441883        2.1137941595
  C        11.5372489327        3.1207987676        1.7248913646
  H        11.1649168937        3.6995354430        0.8386803809
  C        10.6457458894        2.3901842306        2.5036835451
  C        11.0717126818        1.6696129248        3.6297986305
  H        10.3275272523        1.1471167808        4.2231992775
  C        13.8533039910        3.9315423866        1.3095799065
  C         9.2052004625        2.3597276140        2.0951644414
  C        13.1394665528        2.2511835089        6.4006943386
  C        12.0458090724        2.7043105383        7.1559184800
  H        11.1004668261        2.1619584756        7.1134406691
  C        12.1351235395        3.8314081434        7.9755854673
  C        13.3120868449        4.5803138043        8.0455715349
  H        13.3708053305        5.4565147756        8.6843679105
  C        14.3977010531        4.1609260579        7.2719779090
  C        14.3149192639        3.0161927440        6.4799517887
  H        15.1882752031        2.7059273367        5.9078503490
  C        10.9292508391        4.1882108714        8.7877078790
  C        15.6556954452        4.9753105420        7.2413002630
  C        12.0064828297       -0.1801878420        6.0455408904
  C        11.2916585717       -1.0949930968        5.2478444888
  H        11.3019103077       -1.0067987408        4.1632463705
  C        10.5471370855       -2.1300648078        5.8261841728
  C        10.5075877870       -2.3294956468        7.2066683400
  H         9.9340392212       -3.1437432741        7.6418927693
  C        11.2473998560       -1.4604260536        8.0013814878
  C        11.9754137792       -0.4047657166        7.4330201702
  H        12.5273098167        0.2561417336        8.0990863768
  C         9.7671219843       -3.0950598014        4.9865632175
  C        11.3161803107       -1.6595844723        9.4876031007
  B        12.9790906754        0.9693536259        5.4023148165
 Ir         4.7498513207        1.6769086233        4.7995185660
  P         3.9525612636        2.1249055627        2.6975928355
  P         5.8442005975        1.9143217166        6.7940492445
  O         4.8918304511        3.4817512684        2.2525954875
  O         6.7252199966        3.3571671274        6.5363132161
  N         5.8242726190        3.4424469070        4.3877184011
  C         3.7076070872       -0.4145681280        1.5706800511
  H         4.1771151704       -0.8627264052        2.5134615672
  H         3.8821621262       -1.0824105025        0.7072948035
  C         4.2768863857        0.9853944467        1.2424135764
  C         3.7269098748        1.5076040928       -0.0969986753
  H         2.6326380494        1.4995785771       -0.1223396190
  H         4.0531508560        0.8217925712       -0.8965545886
  H         4.0619552927        2.5250510070       -0.3316588355
  C         5.8075416481        0.8312604647        1.1528827931
  H         6.3058496840        1.7629453674        0.8768432717
  H         6.0415823742        0.1024191653        0.3609915627
  H         6.2484968488        0.4948372643        2.0997070243
  C         1.1663631996        1.8482228326        2.6631961097
  H         1.3036420651        1.0771506306        3.4302287136
  H         1.1138419902        1.3111509013        1.7099284056
  H         0.1807807750        2.3031282967        2.8440892473
  C         2.2555351581        2.9293898460        2.6887372290
  C         2.0432312985        3.9250346819        1.5408530414
  H         2.8147472432        4.7014033773        1.5356483915
  H         1.0829793795        4.4378035442        1.7002867188
  H         2.0434710765        3.4471560391        0.5559914526
  C         2.1592467481        3.6764584084        4.0346947157
  H         1.2153453215        4.2361866711        4.0889841039
  H         2.9185622817        4.4586476537        4.1452204034
  H         2.1890583638        3.0142269357        4.9114967558
  C         5.7260145032        4.0348081065        3.1689586211
  C         6.4507116364        5.1781676645        2.8556604975
  H         6.3441504442        5.6333317538        1.8768610944
  C         7.2939208214        5.7111523274        3.8304062534
  H         7.8585477451        6.6134069462        3.6034471301
  C         7.4116090745        5.1153789840        5.0877433071
  H         8.0813729229        5.5149093618        5.8825490553
  C         6.6540336738        3.9755714536        5.3265807997
  C         4.7394604368        2.4905478299        8.1902265098
  C         3.6390048569        3.3361827358        7.5129267861
  H         3.0073590511        2.7200310239        6.8600928272
  H         4.0423149606        4.1659863719        6.9198337504
  H         2.9539078854        3.7403937162        8.2739923762
  C         5.4477655448        3.3560279021        9.2414305069
  H         6.1790596545        2.7985826037        9.8312805585
  H         4.7011363117        3.7337217425        9.9558464867
  H         5.9773743816        4.2014527318        8.7904572914
  C         4.1086595439        1.2551378193        8.8424441325
  H         3.6353441798        0.5813124113        8.1171228072
  H         3.2793547167        1.5598773970        9.4952074004
  H         4.8268926212        0.7010321889        9.4563475551
  C         7.2492443453        0.7612413426        7.2648968643
  C         7.8411461970        1.0826527982        8.6521390303
  H         8.1982088586        2.1165198261        8.7146449602
  H         8.7322731913        0.4526373758        8.8098590233
  H         7.1604164287        0.9177574649        9.4965497820
  C         6.6676707128       -0.6730277055        7.2815652162
  H         5.8691892985       -0.8398956501        8.0146355627
  H         7.4731496269       -1.3765947460        7.5487493187
  H         6.2649681206       -0.9621557654        6.3012352238
  C         8.3847325189        0.9235876500        6.2077678548
  H         7.9133395691        0.6610697202        5.2325856167
  H         9.0856836880       -0.0920025570        6.4363596412
  H         8.6370215534        2.0864261685        6.1480194052
  H         2.4030095133       -0.3468278587        1.7086656482
  H         5.8677334608        0.8148941792        4.2285855062
  C         3.5360542028        0.0231864260        5.2627970776
  H         3.2702964337       -0.6058644666        4.3708086827
  H         3.9945869773       -0.6810929456        6.0075273370
  H         2.6060134205        0.4312108405        5.6964402369
     545
 i =        2, E =     -1898.4429083661
 Ir         0.2613072159       10.9732731237        4.8819047010
  P         1.0888947928       11.3954336997        6.9175864028
  P        -1.1280465993       11.0119863398        3.0601343359
  O         0.1054934782       12.6832264843        7.4713870728
  O        -2.0317138933       12.4239553986        3.3905794155
  N        -0.9669584102       12.6284028115        5.4379673812
  C        -0.6041004997        9.7662931665        6.3443967352
  H        -1.6166725325       10.1174515101        6.5677476124
  H        -0.6521252356        8.7344345889        5.9804565925
  C         0.2893742715        9.8537590177        7.6211678398
  C         1.3097688812        8.7068531445        7.6620438021
  H         1.8637476407        8.6195822763        6.7209362484
  H         0.7504157850        7.7828016813        7.8464902826
  H         2.0118938658        8.8569504101        8.4914935181
  C        -0.5093775409       10.0189453723        8.9451412635
  H         0.3124049363       10.1965717222        9.8191173386
  H        -1.0866750030        9.0893029388        9.0714411253
  H        -1.1824256123       10.8847498712        8.8744884867
  C         3.8301562669       11.0448770518        7.0617156984
  H         3.8308889376       11.0221295760        5.9771890326
  H         3.6945890618        9.9868624382        7.3253514557
  H         4.8352104944       11.4508087470        7.2784599340
  C         2.7041021053       11.9401779020        7.5967341548
  C         2.7701039930       11.9595853746        9.1362182575
  H         1.8906808851       12.6917000943        9.5848293298
  H         3.7662138148       12.3046840330        9.4635008888
  H         2.5641250535       10.8231821144        9.5528174951
  C         2.8947657406       13.3808609200        7.1087614853
  H         3.9168663655       13.7920719764        7.2177666641
  H         2.2134281372       14.1769604503        7.4481304148
  H         3.0295493331       13.5148376075        6.0214727122
  C        -0.8353483847       13.2012179947        6.6472510073
  C        -1.6099624114       14.2537453418        7.0412502764
  H        -1.5007827114       14.7121214675        8.0177073150
  C        -2.5612969505       14.7456781138        6.1376140646
  H        -3.1930964888       15.6071699389        6.3834774285
  C        -2.7430832040       14.1536900423        4.8857420131
  H        -3.4770678221       14.5038567335        4.1681365343
  C        -1.9196017692       13.0914301672        4.5769919741
  C         0.0191219021       11.7225150901        1.7578325062
  C         1.0386340529       12.5037304593        2.6101111398
  H         1.4971157529       11.8696010344        3.4157726981
  H         0.5574007329       13.3972964048        3.0156196462
  H         1.8674203681       12.8152330135        1.9553205053
  C        -0.6506041335       12.5963000138        0.6674799419
  H        -1.3204673119       11.8850148261       -0.0475525224
  H         0.1698703895       13.0487738179        0.0892633972
  H        -1.2347593148       13.3724559656        1.1780806957
  C         0.7262570243       10.5290993902        1.0819384549
  H         1.1699406152        9.8039840283        1.7679405579
  H         1.6349949379       10.8429578161        0.5365377995
  H         0.0705002323        9.8962609470        0.4666443709
  C        -2.4777787198        9.7846190019        2.5952918942
  C        -3.0644178884       10.1764623781        1.2310230537
  H        -3.4558776292       11.2025183240        1.1989737311
  H        -3.9161658940        9.5119742758        1.0304869654
  H        -2.3729944395       10.0633364797        0.3851694859
  C        -1.7852043028        8.3564112064        2.5317271591
  H        -0.9863717323        8.3841536082        1.6991644254
  H        -2.7201953552        7.7101306443        2.3064957332
  H        -1.3778059222        8.2400658117        3.6079683005
  C        -3.5807398720        9.9023492382        3.7621577908
  H        -2.8489203753        9.5901744490        4.8358342794
  H        -4.3709027964        8.9166591559        3.2899280012
  H        -4.0183510091       11.1840911175        3.6211106597
  H         1.2063409158        9.7515049540        4.4894444622
 Ir         9.3061817223        7.2537238431       15.0426261886
  P         8.4835003120        6.8679573058       12.9929376206
  P        10.6998488675        7.2878487155       16.8581923171
  O         9.5068122438        5.5624368829       12.4180335074
  O        11.6588440904        5.8509185573       16.5324879079
  N        10.5784009424        5.6440806831       14.4679524710
  C        10.2364709066        8.5067354108       13.5781328751
  H        11.3444043865        8.0793416920       13.3105174631
  H        10.2403298122        9.6714297936       13.9445836093
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  C         5.0493832569        7.3195364608        7.5042737762
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  C         9.1875080493       11.8499508321        2.8443118772
  H        10.1227052841       11.2987294146        2.8688254180
  C         9.1052773530       12.9773730532        2.0088411413
  C         7.9251104446       13.7128998522        1.9577148552
  H         7.8461196545       14.6725562113        1.2724265990
  C         6.8530721981       13.2945380801        2.7264337626
  C         6.9280487692       12.1489790230        3.5370092703
  H         6.0440633418       11.8774411502        4.1048802137
  C        10.3237574788       13.3366608968        1.2041608552
  C         5.6112082062       14.1427843417        2.7494043029
  C         9.1834520475        8.9686029448        3.9694648733
  C         9.9289252711        8.0549792100        4.7423433947
  H         9.9125653722        8.1607047523        5.8280287184
  C        10.6892055265        7.0239354894        4.1748118842
  C        10.7143919079        6.8084569023        2.7910520715
  H        11.2845939717        6.0118203225        2.3462552747
  C         9.9709984273        7.6930527872        2.0057129752
  C         9.2307783930        8.7355530801        2.5819636316
  H         8.6886854712        9.4241573380        1.9295846372
  C        11.4350490241        6.0675699410        5.0569839003
  C         9.8902398572        7.5218236097        0.5179000648
  B         8.2410962138       10.1495378977        4.6033866347
  F        18.4292944130       -1.8219733562        7.1761100076
  F        17.5809020802        0.1665765375        7.9954643912
  F        16.4976930738       -1.6653127885        8.4257990566
  F        17.4409105901       -2.4767846091        2.5464179285
  F        16.1925969602       -0.8727278782        1.5650649762
  F        15.2096519051       -2.7543465408        2.2443896107
  F        14.5467845868        3.1829586815        0.3757977369
  F        13.2367630998        4.9348536366        0.6218269896
  F        14.7981341138        4.5229661949        2.1011833576
  F         8.8255031892        1.2954168101        1.3644486901
  F         8.8977761346        3.3533167853        1.2165959460
  F         8.3339340082        2.3649897211        3.1648826607
  F         9.8141508030        4.4281770885        8.0032791225
  F        10.5894622507        3.1915499069        9.6907156575
  F        11.1018617865        5.2933173133        9.5349741380
  F        15.7523346664        5.7314026985        6.0928006842
  F        16.8068161488        4.2110659071        7.2703653503
  F        15.7324884228        5.8527010444        8.3048861865
  F         9.6098333034       -2.6311065082        3.5394806152
  F        10.3580633875       -4.3398117499        4.8769773341
  F         8.4536121576       -3.3303953379        5.4282835309
  F        10.4420596172       -2.6659488355        9.9365142737
  F        11.0454250506       -0.4180919402       10.2059979215
  F        12.6622187984       -1.9913926175        9.9018317203
  C        14.4091310644        0.1705538141        5.2007364242
  C        15.2478882563       -0.0563702791        6.3217511153
  H        14.9750639490        0.3955469479        7.2726538393
  C        16.3902292106       -0.8610439296        6.2314497332
  C        16.7359337975       -1.4463519561        5.0043616757
  H        17.6309562619       -2.0536278610        4.9293231168
  C        15.9300487062       -1.2431077035        3.8683712961
  C        14.7908905943       -0.4436342600        3.9972696309
  H        14.0887353646       -0.2511934221        3.0664384021
  C        17.2635750078       -1.0715356957        7.4296851345
  C        16.2230699288       -1.8606822511        2.5148206540
  C        12.4401869497        1.6415526917        4.0109651316
  C        13.3215120338        2.3922146139        3.2160268011
  H        14.3703649368        2.4321560573        3.5052616154
  C        12.8927906150        3.1292995599        2.1289241635
  C        11.5480379010        3.1205946097        1.7211609594
  H        11.0469320188        3.7307490917        0.8094943948
  C        10.6713983326        2.3919802216        2.5069567605
  C        11.0739179262        1.6616544328        3.6390351361
  H        10.3295132510        1.1514582430        4.2257456050
  C        13.8594610171        3.9304907836        1.3079032822
  C         9.2226493274        2.3716022347        2.1149809350
  C        13.1514334782        2.2588187403        6.4041793782
  C        12.0373222151        2.7023957011        7.1470011115
  H        11.0871640832        2.1526264690        7.1025775873
  C        12.1393686440        3.8289495035        7.9695716547
  C        13.3182705678        4.5836485898        8.0438044034
  H        13.3498044617        5.4559902857        8.6953892556
  C        14.3978768835        4.1591582583        7.2681659482
  C        14.3202086118        3.0274300619        6.4923289347
  H        15.1795323483        2.7010368240        5.9089520279
  C        10.9310754601        4.1793231777        8.7813392079
  C        15.6536934564        4.9733336161        7.2454559030
  C        11.9968187197       -0.1708420219        6.0606415005
  C        11.3078808783       -1.0792497908        5.2381035030
  H        11.2976595628       -1.0235120867        4.1521225306
  C        10.5775746150       -2.1162303260        5.8393756486
  C        10.4857965847       -2.3069881601        7.2099332517
  H         9.9397729432       -3.1406895986        7.6458209782
  C        11.2423439086       -1.4709560156        8.0085964000
  C        11.9750176789       -0.4085099828        7.4435032602
  H        12.5191700691        0.2526244085        8.1103868919
  C         9.7666751575       -3.0735734407        5.0206108043
  C        11.2878750628       -1.6859951885        9.4997621488
  B        12.9873913307        0.9649462692        5.4148541788
 Ir         4.7853765199        1.6583902351        4.7881617041
  P         3.9823005618        2.1290675764        2.6991436852
  P         5.8419513812        1.9267726061        6.7631642472
  O         4.8720113566        3.4875085712        2.2344064922
  O         6.7329649870        3.3534345660        6.5284537115
  N         5.8250568904        3.4483957718        4.3688540029
  C         3.6453061910       -0.4395414635        1.5982060000
  H         4.2316964169       -0.8722098452        2.5864158816
  H         3.8801708771       -1.0610525729        0.7054875695
  C         4.2458765541        0.9559584882        1.2704560142
  C         3.7679231637        1.5093645286       -0.0838235848
  H         2.6807384882        1.5097812839       -0.1384762787
  H         4.0023076632        0.7966111971       -0.9037593607
  H         4.0212558393        2.5540811035       -0.3185558532
  C         5.7748804309        0.8019260375        1.1764823659
  H         6.3451409124        1.6860320580        0.8955099118
  H         6.0576155292        0.1511710865        0.3225518682
  H         6.2634406281        0.5472004623        2.1271911471
  C         1.1776135099        1.8918066862        2.6536369785
  H         1.2829130243        1.0641206911        3.3613534299
  H         1.1361336282        1.2462021396        1.7581885274
  H         0.1665644652        2.2822492756        2.8728468759
  C         2.3008402117        2.9203275163        2.6624222140
  C         2.0206927732        3.9016312956        1.5235264583
  H         2.7682007579        4.6903581754        1.5183920361
  H         1.1033725849        4.4897218484        1.7271140073
  H         2.0950149404        3.4460270338        0.5259044450
  C         2.1770152851        3.5977265051        4.0278384496
  H         1.3204207832        4.2887257514        4.1062239416
  H         2.7974166517        4.5038563068        4.1506511731
  H         2.1918016971        3.0204574430        4.9684795068
  C         5.7056145340        4.0234790248        3.1491963089
  C         6.4403869600        5.1616033228        2.8612290221
  H         6.3360869310        5.6554187518        1.8979102542
  C         7.2854729539        5.6959548960        3.8347086935
  H         7.8303575001        6.6082202120        3.5797716286
  C         7.4134206253        5.1156599752        5.1010989993
  H         8.1298101773        5.5476596958        5.9282054483
  C         6.6513107234        3.9807070788        5.3201793001
  C         4.7694611904        2.4842615982        8.1600086729
  C         3.6641451755        3.3520065718        7.5264603437
  H         2.9953767470        2.7741878989        6.8866859228
  H         4.0373769529        4.1503664809        6.8695035808
  H         2.9066679250        3.6942099429        8.2593201842
  C         5.4249267998        3.3721507839        9.2162528012
  H         6.1602972128        2.8581795838        9.8246178889
  H         4.7120261493        3.6996549135        9.9965295698
  H         6.0316948782        4.1918343776        8.8059538223
  C         4.1787477628        1.2556153706        8.8438574019
  H         3.5407251982        0.6366180373        8.1706914535
  H         3.2728529524        1.4807630753        9.4316083341
  H         4.8298649060        0.6478962075        9.4989989869
  C         7.1959921151        0.7745912426        7.2949691082
  C         7.8343137553        1.0625070550        8.6609078483
  H         8.2176497874        2.0824981082        8.7048519889
  H         8.7726729208        0.4790982677        8.7885551966
  H         7.1306416276        0.9639179711        9.4975500813
  C         6.6779617132       -0.6732456801        7.2601550462
  H         5.8993613075       -0.8532852305        7.9968470768
  H         7.4769706479       -1.3728276912        7.5810906124
  H         6.2059904560       -0.9614301188        6.3065388586
  C         8.2658819786        0.9084358896        6.1969968350
  H         7.9146140564        0.6389696499        5.1865714259
  H         9.0582670385        0.1478178756        6.4044545741
  H         8.8407318553        1.8553699322        6.2592178577
  H         2.3788551651       -0.3016362878        1.6546693216
  H         5.8601152420        0.8292436595        4.2350557751
  C         3.4754437847        0.0447449322        5.2850524434
  H         3.3064283428       -0.6561078908        4.3240054597
  H         4.0186837051       -0.7464642530        5.9974827368
  H         2.5715878413        0.4989019632        5.7153188519
     545
 i =        3, E =     -1901.5328861605
 Ir         0.2575825272       10.9613663773        4.8739819817
  P         1.0757541101       11.3851123654        6.9111689201
  P        -1.1410484318       11.0018914184        3.0481483544
  O         0.1050972413       12.6790473511        7.4622290279
  O        -2.0190141805       12.4169288834        3.3984078007
  N        -0.9659691746       12.6304149312        5.4439984213
  C        -0.5955940889        9.7752122699        6.3446501264
  H        -1.6092328360       10.1179350951        6.5741798491
  H        -0.6456159848        8.7434774946        5.9822852887
  C         0.2856812230        9.8418411729        7.6297790218
  C         1.3100317074        8.7000641774        7.6573116364
  H         1.8628094325        8.6225409205        6.7158620728
  H         0.7454827073        7.7819176922        7.8461614653
  H         2.0052172076        8.8659944820        8.4896147635
  C        -0.5169328596       10.0167891363        8.9628127090
  H         0.3610231021       10.2220410205        9.8160633586
  H        -1.0929886069        9.0820558113        9.0600290566
  H        -1.1851991434       10.8860162461        8.8655597756
  C         3.8339875018       11.0432796800        7.0923751577
  H         3.8428615123       11.0127683762        6.0160067901
  H         3.6864452028        9.9663842538        7.2947649828
  H         4.8550940196       11.4669055479        7.2374661339
  C         2.6802680599       11.9108440485        7.6091734490
  C         2.7781138165       11.9579150920        9.1494847660
  H         1.8736724326       12.7094346365        9.5950111874
  H         3.7833117085       12.3031819138        9.4529659465
  H         2.5389800654       10.7971746667        9.5675916722
  C         2.8561674601       13.3551758398        7.1434988676
  H         3.8923312402       13.8082323128        7.1307913313
  H         2.2134018337       14.2126438729        7.4432815984
  H         3.1027568223       13.5544891767        6.0624762967
  C        -0.8343596323       13.2001966147        6.6456327874
  C        -1.6013519934       14.2414477121        7.0394130297
  H        -1.5057565756       14.7117503382        8.0118563313
  C        -2.5568384110       14.7403065784        6.1397193997
  H        -3.1974775822       15.6065720496        6.3672879727
  C        -2.7473051531       14.1491771396        4.8888012557
  H        -3.4759601554       14.5083299882        4.1708528353
  C        -1.9186499821       13.0987925807        4.5806987211
  C         0.0152037334       11.7475688159        1.7651821635
  C         1.0451781213       12.5037576123        2.6176500015
  H         1.4939243912       11.8654630567        3.4193366487
  H         0.5533347805       13.3945642751        3.0149844982
  H         1.8634991942       12.8123516690        1.9488010502
  C        -0.6593430405       12.6097796339        0.6560033654
  H        -1.3216426675       11.8506058424       -0.0601159599
  H         0.1791258443       13.0522378224        0.0940922487
  H        -1.2285357256       13.3807559474        1.1937573937
  C         0.7100557288       10.5518301713        1.0715737198
  H         1.1763478803        9.8073757521        1.7196304226
  H         1.6618198093       10.8263644058        0.5633702064
  H         0.0656180246        9.8708966965        0.4873937026
  C        -2.5276386272        9.7746689420        2.6378283847
  C        -3.0544092133       10.1712052454        1.2473874537
  H        -3.4494679894       11.1957164949        1.2047996234
  H        -3.9084869081        9.5130903571        1.0378707645
  H        -2.3726154318       10.0623349011        0.3910716482
  C        -1.7798310900        8.3505996069        2.5243585106
  H        -0.9769098519        8.3984838114        1.6700839105
  H        -2.7425187443        7.7137035211        2.3056991295
  H        -1.3830836517        8.2602509750        3.6258902280
  C        -3.6558330934        9.8952965111        3.8380348973
  H        -2.7114261763        9.5632280920        4.8926551791
  H        -4.3980827610        8.8104282359        3.1786662967
  H        -4.0043747688       11.3244148504        3.5483543696
  H         1.2095671948        9.7550775723        4.4828299663
 Ir         9.2899997115        7.2367887257       15.0603684069
  P         8.4772527521        6.8909303758       12.9934823973
  P        10.6948551898        7.2959298575       16.8737108720
  O         9.5011028221        5.5647954710       12.4118541579
  O        11.6570223085        5.8447660675       16.5221346062
  N        10.5797593436        5.6393026256       14.4539884444
  C        10.2292169346        8.5014433557       13.5825292699
  H        11.3744298292        8.0551979913       13.3056119099
  H        10.2315462509        9.7076404151       13.9618789434
  C         9.2516160763        8.4567732605       12.1624212959
  C         8.0925493076        9.7507934005       12.1946807359
  H         7.6513982028        9.5473739300       13.5472565782
  H         9.2168037947       10.6762286727       11.9772382403
  H         7.3898914465        9.1176007498       11.0404182000
  C        10.1953197687        8.1886073412       10.7765059089
  H         9.0510099531        8.0170931212       10.0173713005
  H        10.8155189533        9.2360365605       10.8247315523
  H        10.9584760065        7.2843095564       11.0527778248
  C         5.7916336938        7.0247537957       12.8454883572
  H         5.8240700574        7.4001724880       13.9114753138
  H         5.8349805240        8.1439350085       12.7789036769
  H         4.7170844972        6.8041857686       12.6484771426
  C         6.9535384685        6.1730570355       12.3139946989
  C         6.9273966192        6.2188871969       10.7770783277
  H         7.7075478510        5.5379687476       10.4012610775
  H         5.7289461213        5.8733493116       10.4681956753
  H         6.9101473019        7.4048204962       10.2992118155
  C         6.7353997723        4.7638108635       12.9108158971
  H         5.5665644056        4.4214642650       12.5337807587
  H         7.4756146784        4.0854557061       12.4600037574
  H         6.7398442251        4.7711737937       14.1757744282
  C        10.4351618402        5.0337855801       13.2311665544
  C        11.2618893050        3.9576461069       12.9384403529
  H        11.1084274552        3.5324417917       11.9583949574
  C        12.1868452787        3.4271060699       13.8213473695
  H        12.8165569429        2.5842010453       13.5729196122
  C        12.3463404064        4.1018817175       15.0482248981
  H        13.1655545323        3.7044380580       15.8891729778
  C        11.5100702709        5.1832217091       15.3515684926
  C         9.5784126683        6.6436278720       18.1943706312
  C         8.5524161562        5.8622404017       17.3804734100
  H         8.1493861527        6.2711684998       16.3943427131
  H         8.8702810391        5.0209334228       16.7491267974
  H         7.6406881435        5.4422074926       17.8455603055
  C        10.1628190318        5.6970395882       19.2469734478
  H        10.9512157767        6.4152400303       19.9636175535
  H         9.3168180211        5.2260111769       19.7943972062
  H        10.9391663011        4.8310565352       18.7501375696
  C         8.8513947290        7.8452420894       18.8083721401
  H         8.3630437393        8.6268776325       17.9503845529
  H         7.8684582524        7.3754358246       19.4537528156
  H         9.5482365895        8.3495972552       19.5068079810
  C        12.0421075021        8.4749221130       17.4454916507
  C        12.6724252445        8.0225816784       18.7868698579
  H        13.0602418858        6.9862063818       18.7335748562
  H        13.5428453864        8.9572912742       18.9444613926
  H        11.7241738037        8.1737144741       19.6535367262
  C        11.3768666883        9.8446429096       17.4056957989
  H        10.6280932156       10.0320799867       18.1835667928
  H        12.1487643955       10.5678913082       17.6781104662
  H        10.9626011069       10.2013104293       16.4219028410
  C        13.0577039271        8.2758897563       16.2346616864
  H        12.5895028080        8.9081889576       14.9725680339
  H        14.0116724301        9.2657981559       16.4699728613
  H        13.8389186194        7.1078806042       16.3891348464
  H         8.3735062257        8.6174425041       15.3723693781
 Ir         5.1675135906       16.3310943730       14.8026880889
  P         5.9763023405       16.0212274860       16.8901368722
  P         3.7255207778       16.4064937187       13.0087869531
  O         4.9307596912       14.7242103770       17.5070858195
  O         2.7623546876       14.9722730072       13.4125989475
  N         3.8532446001       14.7675975471       15.4754733497
  C         4.2050051427       17.6384410079       16.2285985732
  H         3.0757534349       17.2028220264       16.6145202346
  H         4.2239961175       18.8572347008       15.9150421606
  C         5.2193921690       17.6366870273       17.6244661229
  C         6.3887319998       18.9126092056       17.6690014011
  H         6.8054231602       18.6964529786       16.3075682180
  H         5.2267096359       19.8261558662       17.9306730870
  H         7.0030699666       18.3474230173       18.8812353757
  C         4.2657894840       17.1762466519       18.9889991855
  H         5.2862760159       17.3736213705       20.0089529992
  H         3.7407051837       18.5814709815       19.1441630488
  H         3.3516168579       16.2472307928       18.7991599979
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  C        14.3978230957        4.1580746871        7.2656439721
  C        14.3233570578        3.0348211454        6.4999496745
  H        15.1738634343        2.6979274949        5.9099233464
  C        10.9330322463        4.1737037723        8.7768050423
  C        15.6521767689        4.9720404266        7.2487671315
  C        11.9904721684       -0.1647677071        6.0714832591
  C        11.3190948233       -1.0686284359        5.2319353113
  H        11.2942529123       -1.0354206691        4.1452734320
  C        10.5964962956       -2.1071433725        5.8451813446
  C        10.4729171643       -2.2939569052        7.2090908435
  H         9.9439269194       -3.1385023218        7.6472023372
  C        11.2366479341       -1.4791526767        8.0146570033
  C        11.9735675036       -0.4122635393        7.4511936207
  H        12.5128013109        0.2500835156        8.1176252967
  C         9.7653518388       -3.0463365118        5.0217708860
  C        11.2682774767       -1.7036669111        9.5113967317
  B        12.9918754416        0.9620887860        5.4218703519
 Ir         4.8104961919        1.6518604425        4.7810082966
  P         4.0007060450        2.1303643804        2.6933824015
  P         5.8518778274        1.9262496837        6.7479298404
  O         4.8596450187        3.4906806784        2.2242132841
  O         6.7348723384        3.3498140705        6.5243383024
  N         5.8274707112        3.4526422338        4.3579075185
  C         3.5915522168       -0.4759801234        1.6476604163
  H         4.2562235809       -0.8713669954        2.6391910936
  H         3.8744647864       -1.0422490649        0.7184703214
  C         4.2147967721        0.9148953980        1.2964095372
  C         3.8010126431        1.5075883944       -0.0674050304
  H         2.7206326920        1.5120338308       -0.1543504151
  H         3.9616732715        0.7823026448       -0.9093172573
  H         3.9908368674        2.5715313137       -0.3096469103
  C         5.7437351600        0.7813120748        1.1945328475
  H         6.3755576195        1.6254238807        0.9090990870
  H         6.0734423811        0.1899225632        0.2986645583
  H         6.2756197668        0.5836434765        2.1415353204
  C         1.1845997716        1.9266705197        2.6431838415
  H         1.2585913761        1.0605239683        3.3110863346
  H         1.1523424563        1.1874350338        1.7972903737
  H         0.1562639002        2.2666073374        2.9019388213
  C         2.3333779910        2.9151923939        2.6439782460
  C         2.0053450798        3.8836409713        1.5105384744
  H         2.7313113880        4.6849512286        1.5008018539
  H         1.1210833416        4.5272471108        1.7441331292
  H         2.1289984413        3.4490917383        0.5027637682
  C         2.1904843286        3.5394761477        4.0245897439
  H         1.3976426307        4.3290620636        4.1193577855
  H         2.7096623329        4.5369968591        4.1579452528
  H         2.1947767484        3.0265150947        5.0130631475
  C         5.6923787005        4.0157962864        3.1385358118
  C         6.4345268809        5.1493226072        2.8682991421
  H         6.3337864193        5.6725792084        1.9175690472
  C         7.2808536601        5.6850009593        3.8403047717
  H         7.8083792438        6.6047353664        3.5609159089
  C         7.4160636972        5.1163690519        5.1127122210
  H         8.1506381884        5.5631528792        5.9433275175
  C         6.6511395670        3.9847774592        5.3175487026
  C         4.7906008292        2.4790981693        8.1369307150
  C         3.6822174509        3.3639505370        7.5353276406
  H         2.9839952374        2.8169586842        6.9050646737
  H         4.0315203835        4.1406782481        6.8336424165
  H         2.8694850362        3.6623127121        8.2439800668
  C         5.4066328770        3.3839971120        9.1965034665
  H         6.1431669996        2.9063709668        9.8236242753
  H         4.7243120372        3.6763066584       10.0284583966
  H         6.0718407983        4.1845012335        8.8199514406
  C         4.2396666752        1.2535060664        8.8517293944
  H         3.4638673510        0.6829448187        8.2221628533
  H         3.2603720158        1.4221061914        9.3695432438
  H         4.8355681005        0.5945599944        9.5363138519
  C         7.2173885321        0.7897535205        7.2579476847
  C         7.8171506053        1.0423151691        8.6508789502
  H         8.2334462294        2.0463924338        8.6992760463
  H         8.7956254432        0.5067224818        8.7767460359
  H         7.1179247632        0.9982565388        9.5012294820
  C         6.6915201995       -0.6562237720        7.2440173804
  H         5.9261609993       -0.8699297490        7.9820046389
  H         7.4686510526       -1.3712884888        7.6061099386
  H         6.1647915715       -0.9618333306        6.3169487353
  C         8.3479329038        0.9801221559        6.2064213636
  H         7.9386757089        0.6325269213        5.2227140642
  H         8.9366841065       -0.1021821244        6.3687870046
  H         8.8466422198        2.0216912922        6.3192611703
  H         2.4042218210       -0.2335036154        1.5664833324
  H         5.8546248001        0.8376740544        4.2406324704
  C         3.4457946559        0.0647713203        5.2945362488
  H         3.3386947624       -0.6840003289        4.3108633053
  H         4.0174485814       -0.7873868076        5.9663153423
  H         2.5533751102        0.5291862541        5.7218353733
     545
 i =        4, E =     -1903.9590576895
 Ir         0.2539593074       10.9483219203        4.8674358179
  P         1.0621704593       11.3737910157        6.9031694405
  P        -1.1520890061       10.9937520710        3.0411169931
  O         0.1048054974       12.6734224042        7.4517329609
  O        -2.0070602452       12.4093863072        3.4068269809
  N        -0.9647479638       12.6321596793        5.4499437666
  C        -0.5867683531        9.7849893707        6.3457761764
  H        -1.6010574747       10.1201882934        6.5806267138
  H        -0.6375579555        8.7540349059        5.9830546444
  C         0.2828850419        9.8293581940        7.6381650785
  C         1.3099845710        8.6928335300        7.6535440050
  H         1.8608090184        8.6254866241        6.7113114561
  H         0.7410492203        7.7800310369        7.8455215174
  H         1.9990433323        8.8745806705        8.4876290287
  C        -0.5188090334       10.0148584401        8.9823578721
  H         0.4108066290       10.2521776931        9.8029937184
  H        -1.0969042231        9.0776710345        9.0514714945
  H        -1.1854263831       10.8847332073        8.8595679990
  C         3.8341040421       11.0453307740        7.1285900758
  H         3.8570031272       10.9979556666        6.0615017584
  H         3.6803830102        9.9463654070        7.2585708991
  H         4.8756782811       11.4803496778        7.1913802717
  C         2.6531553454       11.8885521772        7.6209010340
  C         2.7834453324       11.9538318590        9.1625757839
  H         1.8659401286       12.7205680825        9.6051511478
  H         3.7973974742       12.2987228658        9.4411358697
  H         2.5030524086       10.7806249916        9.5819399170
  C         2.8262490198       13.3342679762        7.1695304789
  H         3.8724405904       13.8251248228        7.0704803896
  H         2.2183139942       14.2484016038        7.4358777938
  H         3.1523343878       13.5895662254        6.0904958959
  C        -0.8330627639       13.1982590273        6.6434140208
  C        -1.5920178903       14.2285760983        7.0372358364
  H        -1.5111284693       14.7113297515        8.0053826929
  C        -2.5518007004       14.7340897290        6.1418539285
  H        -3.2022297780       15.6051502700        6.3479095810
  C        -2.7526779833       14.1427920151        4.8930854793
  H        -3.4737327777       14.5136463349        4.1740638497
  C        -1.9176868855       13.1064307825        4.5845513815
  C         0.0088856251       11.7728293739        1.7747992436
  C         1.0500746309       12.5041331309        2.6234361212
  H         1.4898551700       11.8621271590        3.4211922299
  H         0.5499915699       13.3919000939        3.0148636754
  H         1.8597762464       12.8094041550        1.9435491369
  C        -0.6696446393       12.6202374682        0.6448637713
  H        -1.3159012435       11.8228049983       -0.0691884840
  H         0.1844406676       13.0541923240        0.0983202777
  H        -1.2228286714       13.3872310235        1.2067781298
  C         0.6899156521       10.5776380228        1.0599672581
  H         1.1837743079        9.8110738303        1.6617648113
  H         1.6908927414       10.8056457356        0.5952035363
  H         0.0603856394        9.8440136692        0.5102451359
  C        -2.5665650779        9.7703379443        2.6682340277
  C        -3.0489745330       10.1685238776        1.2607236329
  H        -3.4435524839       11.1923408494        1.2127030378
  H        -3.9019806388        9.5117989131        1.0467676406
  H        -2.3692245881       10.0594336222        0.4020945919
  C        -1.7756653375        8.3486813645        2.5173401754
  H        -0.9731139510        8.4086333916        1.6437808266
  H        -2.7504435718        7.7106542667        2.3040927570
  H        -1.3860548704        8.2725317956        3.6349586647
  C        -3.7132096459        9.8894643284        3.8972069695
  H        -2.6195739156        9.5532357739        4.9243768988
  H        -4.4164585360        8.7512068757        3.1013612086
  H        -3.9900700403       11.4092700632        3.4944080270
  H         1.2110421213        9.7613641284        4.4772262048
 Ir         9.2780281353        7.2225724246       15.0746201330
  P         8.4717111577        6.9117316018       12.9936468508
  P        10.6890856064        7.3041695915       16.8896321051
  O         9.4958279580        5.5666057246       12.4046541199
  O        11.6526172378        5.8389719844       16.5103257445
  N        10.5828277496        5.6351274477       14.4394194421
  C        10.2235909632        8.5004390006       13.5818733262
  H        11.3986521290        8.0245971271       13.2971358921
  H        10.2180015754        9.7425072432       13.9813773358
  C         9.2266830966        8.4955155036       12.1301758583
  C         8.0336462478        9.8302146634       12.1930059196
  H         7.6494268873        9.5094570222       13.6286595964
  H         9.3126757204       10.7024772242       11.9642876674
  H         7.3670345417        9.0222333289       10.9802471529
  C        10.2426392495        8.1841812969       10.7535031897
  H         8.9812970769        8.0098540741       10.0300452922
  H        10.8353245276        9.2533266449       10.8180537925
  H        10.9795708192        7.2528693998       11.0412687647
  C         5.7955970048        6.9755932497       12.8188421241
  H         5.8172102339        7.4541123907       13.8797960302
  H         5.8156884071        8.1298592379       12.8475447983
  H         4.6835254469        6.8133057868       12.6689902979
  C         6.9875554053        6.1555984896       12.3024756925
  C         6.9525620317        6.2127370509       10.7688780972
  H         7.7337963557        5.5265190149       10.4089867142
  H         5.7150092673        5.8894466779       10.4841935977
  H         6.8527934924        7.4158645705       10.2603777471
  C         6.7469527830        4.7571951315       12.9156766558
  H         5.5583163649        4.4312894758       12.5087222808
  H         7.4845927538        4.0823689001       12.4558058041
  H         6.7224343440        4.7669796270       14.1991712669
  C        10.4297216542        5.0285811324       13.2136213058
  C        11.2742453394        3.9580626471       12.9540846630
  H        11.1106310473        3.5429408456       11.9747227281
  C        12.1969891266        3.4058994037       13.8188526661
  H        12.8301786504        2.5685987745       13.5687680741
  C        12.3520636723        4.0984051616       15.0394574317
  H        13.1756744193        3.6906600222       15.8953645971
  C        11.5088780403        5.1757999398       15.3455343126
  C         9.6020415773        6.6553810923       18.2254855677
  C         8.5629879470        5.8917018541       17.4292043442
  H         8.1682014780        6.2031052562       16.3744526284
  H         8.8085857815        5.0654472560       16.7099272951
  H         7.6300512954        5.4164041642       17.8252842383
  C        10.1613885281        5.6897427910       19.2710679234
  H        10.9906589433        6.4609128709       19.9441256370
  H         9.2951119055        5.2220628978       19.7963179018
  H        10.9845972911        4.8383387794       18.7694392797
  C         8.8575231812        7.8549279430       18.8114048192
  H         8.3428515005        8.6399452602       17.9465504105
  H         7.8549574495        7.3753750066       19.4569912641
  H         9.5613117974        8.3521690990       19.5105423138
  C        12.0577258899        8.4586584703       17.4660716042
  C        12.6788812622        8.0024345933       18.8098356068
  H        13.0689492260        6.9673856614       18.7250840619
  H        13.5182927309        9.0141117955       18.9220970036
  H        11.6653572994        8.1248958327       19.6576109363
  C        11.3737880248        9.8117833068       17.3978203106
  H        10.6552696214       10.0593286538       18.1955136155
  H        12.1213072749       10.5447879461       17.7059836603
  H        10.9559924060       10.2393570980       16.4255322046
  C        13.0359146094        8.2275124869       16.2157247349
  H        12.5633651350        9.0114530136       14.9345543042
  H        14.0277631947        9.2802895174       16.4420813901
  H        13.9097609567        7.0482851578       16.4608111127
  H         8.3714124112        8.6257327640       15.3793323266
 Ir         5.1930071195       16.2967357113       14.7659683782
  P         5.9764385259       16.0523415469       16.8857777916
  P         3.7289776448       16.4067915769       12.9770984873
  O         4.9358794659       14.7310753032       17.5126851821
  O         2.7690852231       14.9596521359       13.4251373059
  N         3.8525046904       14.7559732387       15.4953390180
  C         4.2156410469       17.6286369061       16.2088998389
  H         3.0562534893       17.1740109929       16.6453351904
  H         4.2350843892       18.8883728639       15.9123463216
  C         5.2368260473       17.6854815787       17.6521839695
  C         6.4456341260       18.9954026825       17.6717699210
  H         6.8041275913       18.6583750290       16.2252239135
  H         5.1366542280       19.8466795027       17.9449284073
  H         7.0151612462       18.2674720990       18.9428688161
  C         4.2366448509       17.1250601117       19.0283896121
  H         5.3613177622       17.4101645629       20.0335166746
  H         3.7649404430       18.6341387399       19.1144137143
  H         3.2834429507       16.1799195805       18.7541736039
  C         8.8160839441       16.1244812259       17.1644159355
  H         8.5359939861       16.6507759829       15.9297370388
  H         8.5058721187       17.4298790924       17.0305676627
  H         9.8692203405       15.7991940735       17.3903490411
  C         7.4785700712       15.3715342233       17.6356931538
  C         7.4426860902       15.4068018969       19.1551296648
  H         6.6879882040       14.7215314397       19.5630879890
  H         8.6771813517       15.2298011151       19.5578219330
  H         7.5869298518       16.6193489407       19.6410165141
  C         7.7345500041       14.0104628791       17.1121655358
  H         8.6807066356       13.5140337435       17.3219720934
  H         7.1191308855       13.1699441728       17.4236491950
  H         7.7589632744       13.7813462126       16.0496717404
  C         4.0004086134       14.1840702078       16.7164793187
  C         3.1689684610       13.1083330900       16.9678483332
  H         3.3668587957       12.7274264742       17.9428106442
  C         2.2165213233       12.5801145837       16.1250471787
  H         1.6181140379       11.7253344623       16.3964803178
  C         2.0679281271       13.2177135173       14.9064542210
  H         1.2752632509       12.9413247671       14.0040901906
  C         2.8898708997       14.3122578177       14.6042719254
  C         4.9263675564       15.7629043417       11.6865007056
  C         5.8545980889       14.8800778679       12.5752849029
  H         6.3735382601       15.5479518670       13.5864983940
  H         5.2975671352       13.8947299272       13.1757134700
  H         6.7112662761       14.5667474339       11.9385297680
  C         4.1651817887       14.8765842938       10.6615550924
  H         3.4150492258       15.6798690030        9.9386650019
  H         4.9871847399       14.3502382529       10.1096597331
  H         3.4028269687       13.9715783764       11.1778847815
  C         5.5897043683       17.0217691409       11.0684057625
  H         6.0475260434       17.6080377427       11.9020981717
  H         6.4946666689       16.3705984462       10.3884731837
  H         4.7524523410       17.6286959726       10.2656134082
  C         2.3097258812       17.5591541289       12.5580019801
  C         1.7712710172       17.2148858225       11.1392887586
  H         1.3483373848       16.1904137013       11.2507275303
  H         0.8410605923       18.1527231006       11.1417719195
  H         2.7720466147       17.1935494886       10.2513279923
  C         3.0895469093       18.8733036902       12.6566756801
  H         3.6675265083       19.2321468344       11.7234392637
  H         2.4872877262       19.7114590417       12.2540974072
  H         3.4935908890       19.3805788275       13.5665962763
  C         1.3525855932       17.4587064386       13.8172839048
  H         1.8967750709       18.0519709506       14.8387534865
  H         0.5779591173       18.4601564240       13.2282801286
  H         0.7288168408       16.3813366192       13.5797122568
  H         6.0943428195       17.7543403299       14.4856477605
  F         7.0767573174       10.5062427853       16.9388844660
  F         5.9792425965        8.9059747399       17.9865904494
  F         5.3233343211       10.9825076064       18.1580373607
  F         5.7660315425       11.6604958324       12.3964163162
  F         4.6288634773       10.0724882428       11.4204525735
  F         3.5929616713       11.8381582854       12.1563793515
  F         2.9334960311        6.0408188728       10.3206276994
  F         1.7709593448        4.2004890534       10.5895348933
  F         3.3064192961        4.7509844675       12.0422046465
  F        -2.7019257571        7.9263550311       11.3297170432
  F        -2.7626565086        5.7369920945       11.2657861432
  F        -3.2508174717        6.7774019998       13.1188935059
  F        -1.7968030379        4.7539595767       17.9979706149
  F        -1.0265911366        5.9831207774       19.6275499668
  F        -0.5227242167        3.8472808679       19.5409242904
  F         4.1467464097        3.4113922286       16.0842321502
  F         5.1939430711        4.9361719777       17.2699639686
  F         4.1503878059        3.2881995470       18.2733093077
  F        -1.9544622432       11.7445752833       13.6595937924
  F        -1.1823279306       13.4677024461       14.9140714799
  F        -3.1171518060       12.4124040726       15.4661598153
  F        -1.2461193268       11.8890817424       19.9672600543
  F        -0.3391127894        9.6878516015       20.1837080326
  F         0.9383997198       10.9410022265       19.9768816540
  C         2.8381695073        8.9626942195       15.1771631019
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  C         6.7045070145       -0.6449272822        7.2240747396
  H         5.9574676289       -0.8892189996        7.9648841718
  H         7.4575556148       -1.3730453733        7.6356599411
  H         6.1184032796       -0.9646047626        6.3259897686
  C         8.3414258999        1.0324737698        6.1982082786
  H         7.9502043872        0.6070111674        5.2209961553
  H         8.8451196265       -0.1498892472        6.3271218134
  H         8.9681426174        2.0309992693        6.4206881382
  H         2.3039751030       -0.0075767231        1.3164833324
  H         5.8477901287        0.8453530065        4.2464272938
  C         3.4267413868        0.0931995386        5.2975253621
  H         3.3740682414       -0.7129568503        4.3109219390
  H         4.0009077646       -0.8279420849        5.9192854396
  H         2.5397184717        0.5473653195        5.7244161111
     545
 i =        5, E =     -1906.4435727503
 Ir         0.2504650972       10.9297708577        4.8609948425
  P         1.0476774700       11.3590464818        6.8932319491
  P        -1.1644466457       10.9865183323        3.0384087625
  O         0.1040434109       12.6633585700        7.4358332620
  O        -1.9936385422       12.3986831837        3.4188060029
  N        -0.9629369434       12.6342777912        5.4576142089
  C        -0.5750458125        9.7999553016        6.3469891637
  H        -1.5894642794       10.1257820076        6.5902153442
  H        -0.6244446933        8.7700882808        5.9827896782
  C         0.2805481754        9.8117979470        7.6471953019
  C         1.3099737934        8.6826446850        7.6497086112
  H         1.8569731769        8.6291587619        6.7057106973
  H         0.7359973986        7.7762459178        7.8443836876
  H         1.9919124823        8.8848545853        8.4849148434
  C        -0.5148601199       10.0135368977        9.0087256423
  H         0.4891332402       10.3016576313        9.7781010706
  H        -1.0986171386        9.0752547598        9.0437217525
  H        -1.1841514235       10.8805202353        8.8547041275
  C         3.8245281480       11.0573587657        7.1854016549
  H         3.8808848110       10.9683677667        6.1318385665
  H         3.6771718538        9.9221748131        7.1996485721
  H         4.9017677941       11.4928831912        7.1234200164
  C         2.6171860253       11.8923451552        7.6262017584
  C         2.7895863784       11.9450924787        9.1729284944
  H         1.8606358335       12.7341023223        9.6233940906
  H         3.8136843022       12.2887248418        9.4229715086
  H         2.4330094562       10.7592752265        9.6065043774
  C         2.8353676095       13.3325546710        7.1610375690
  H         3.8768793148       13.8531377165        7.1164938082
  H         2.2415756795       14.2824873612        7.4166864114
  H         3.1118662912       13.5962416766        6.0643562402
  C        -0.8310566326       13.1945333046        6.6395050369
  C        -1.5788608284       14.2111387674        7.0342137624
  H        -1.5187269079       14.7107842143        7.9963626552
  C        -2.5446400625       14.7246211652        6.1447414619
  H        -3.2084792061       15.6025242230        6.3186339190
  C        -2.7633915202       14.1304921008        4.9012863456
  H        -3.4688461029       14.5217671791        4.1779029930
  C        -1.9164107507       13.1176657024        4.5895633401
  C        -0.0017092664       11.8080976130        1.7918840485
  C         1.0553268500       12.5057629802        2.6302925530
  H         1.4835626178       11.8579684550        3.4221350549
  H         0.5462099059       13.3892650523        3.0154207654
  H         1.8547974595       12.8054545963        1.9375315655
  C        -0.6832764361       12.6331529714        0.6320076802
  H        -1.3063946889       11.7892683411       -0.0825226927
  H         0.1886929408       13.0565036414        0.1034619351
  H        -1.2157482142       13.3952966697        1.2221863112
  C         0.6555839089       10.6164086236        1.0435005817
  H         1.1928764929        9.8166403945        1.5710805436
  H         1.7320645255       10.7680555399        0.6447296415
  H         0.0538865961        9.8067250466        0.5413910611
  C        -2.5950430075        9.7648795834        2.6847199651
  C        -3.0480271036       10.1685830621        1.2724996914
  H        -3.4370131928       11.1928543324        1.2253278889
  H        -3.8956078412        9.5070856302        1.0602001905
  H        -2.3607791118       10.0539621673        0.4215207710
  C        -1.7680548642        8.3396521658        2.5074834296
  H        -0.9689947985        8.4230936398        1.6062465624
  H        -2.7576706922        7.7001633087        2.2981017934
  H        -1.3830532438        8.2845453125        3.6439923692
  C        -3.7569878793        9.8806412458        3.9444292270
  H        -2.5536794335        9.5609022264        4.9543231985
  H        -4.4456220557        8.7192025466        3.0430473314
  H        -3.9773228610       11.4700646340        3.4475246580
  H         1.2101323085        9.7731826341        4.4708922363
 Ir         9.2692867120        7.2089116408       15.0871315099
  P         8.4573689675        6.9326768496       12.9914296550
  P        10.6788586338        7.3115888160       16.9167550017
  O         9.4886814252        5.5683235671       12.3919891636
  O        11.6466832142        5.8321443205       16.4914002130
  N        10.5874104628        5.6295550831       14.4165264007
  C        10.2261129719        8.5081121249       13.5788696801
  H        11.4334753055        7.9664539819       13.2804971698
  H        10.1912754248        9.7956308343       14.0155332114
  C         9.2117349258        8.5250720130       12.0912087713
  C         7.9830382668        9.8982513792       12.1887106911
  H         7.6422845717        9.4835417481       13.6824471749
  H         9.3721678901       10.7239137424       11.9392193007
  H         7.3277155725        8.9062292615       10.9479693819
  C        10.3016924589        8.1724299034       10.7167417072
  H         8.9049927744        7.9878276426       10.0372330323
  H        10.8500497041        9.2875452788       10.8183204405
  H        11.0051269715        7.1998848078       11.0255351339
  C         5.8064866281        6.9687944612       12.8215498419
  H         5.8039924696        7.4182027191       13.9072276293
  H         5.7858975943        8.1359833428       12.8127646060
  H         4.6604612293        6.8339991882       12.7110513403
  C         7.0077257143        6.1533644844       12.3014051593
  C         6.9902845210        6.2168744692       10.7686843624
  H         7.7622746417        5.5177858114       10.4146726848
  H         5.7055311598        5.9142671089       10.5103664553
  H         6.7890819712        7.4465520547       10.2245355202
  C         6.7665223369        4.7554411568       12.9173466438
  H         5.5521422000        4.4485216086       12.4682054939
  H         7.4949080075        4.0743430852       12.4509644048
  H         6.6969141197        4.7652820925       14.2278183644
  C        10.4201910027        5.0184253368       13.1879285593
  C        11.2939242337        3.9591111867       12.9797374175
  H        11.1093543768        3.5644252238       12.0016864263
  C        12.2127386037        3.3763020754       13.8172729160
  H        12.8490208490        2.5461666573       13.5627174135
  C        12.3589544580        4.0932637609       15.0284254187
  H        13.1905544574        3.6728919836       15.9044026125
  C        11.5046360298        5.1635487387       15.3369550724
  C         9.6294251105        6.6618054721       18.2664775407
  C         8.5873425322        5.9294693910       17.4609815204
  H         8.1532588317        6.1589666759       16.3620186933
  H         8.7422319754        5.0795533250       16.6976543165
  H         7.6319210532        5.3829047920       17.7781608119
  C        10.1543467100        5.6792480676       19.3093405043
  H        11.0451804265        6.5468034332       19.8956545912
  H         9.2617080231        5.2170964261       19.8049208929
  H        11.0569256447        4.8600115255       18.7983320721
  C         8.8704662263        7.8626077255       18.8155766822
  H         8.3144642528        8.6547811518       17.9447896656
  H         7.8356372565        7.3815517608       19.4628380329
  H         9.5784347093        8.3583286461       19.5150686290
  C        12.0862326749        8.4260177683       17.4874844254
  C        12.6858417916        7.9832806289       18.8417313144
  H        13.0824728384        6.9524607504       18.7170390430
  H        13.4871745725        9.0907528554       18.8784907270
  H        11.5751169045        8.0151458398       19.6631915077
  C        11.3699319952        9.7529751873       17.3716381443
  H        10.7110381679       10.1134504324       18.2110180375
  H        12.0701889496       10.5051645981       17.7626359624
  H        10.9456056205       10.2995610535       16.4210108249
  C        13.0183568926        8.1807286871       16.1963864688
  H        12.5325740368        9.1053806449       14.9139389884
  H        14.0522306146        9.3063224359       16.4158460436
  H        13.9922696187        6.9985205869       16.5408510068
  H         8.3691923348        8.6290729764       15.3902765018
 Ir         5.2375367934       16.2385354615       14.7075325742
  P         5.9720079414       16.0904881849       16.8798815171
  P         3.7337822807       16.4079307292       12.9322953522
  O         4.9443624349       14.7351017198       17.5244337788
  O         2.7810118424       14.9425481976       13.4439448969
  N         3.8513802754       14.7380904350       15.5263798247
  C         4.2253385063       17.6136373837       16.1670488413
  H         3.0304590768       17.1232802932       16.6923400280
  H         4.2618147248       18.9338272333       15.9070352401
  C         5.2400065608       17.7343085592       17.6788643086
  C         6.4962908014       19.0668545420       17.6769327309
  H         6.7990084142       18.6390164625       16.1644521144
  H         5.0922339993       19.8728221992       17.9588759142
  H         7.0428121799       18.1589434943       18.9826282572
  C         4.2067245518       17.0730306932       19.0765308583
  H         5.4228968026       17.4377000625       20.0638037292
  H         3.7863413291       18.6719478734       19.0910570235
  H         3.2135617377       16.1146279706       18.7041262404
  C         8.8633520135       16.0623623253       17.2106947043
  H         8.5165810906       16.7533179526       15.9660162723
  H         8.4979764081       17.4264738111       16.9138015635
  H         9.9637298760       15.7835686234       17.3641504087
  C         7.4329614920       15.3988674533       17.6513420601
  C         7.3843025616       15.3876456541       19.1579590404
  H         6.6424390662       14.6940208837       19.5628483899
  H         8.6836637392       15.3439601915       19.5780632024
  H         7.6810161551       16.6310364306       19.6659727352
  C         7.7192797448       14.0670836290       17.1302808502
  H         8.6416838644       13.4609498293       17.2817177812
  H         7.1698314146       13.1293508027       17.3812784612
  H         7.7785025948       13.7136565186       16.0773926972
  C         4.0052330213       14.1783718836       16.7505139023
  C         3.1493241900       13.1075014229       16.9344022492
  H         3.3823317815       12.7674736997       17.9094526912
  C         2.1945373146       12.5564537378       16.1232727136
  H         1.6052941220       11.7019442305       16.4057615515
  C         2.0562412265       13.2012847857       14.9154332266
  H         1.2687508969       12.9513563326       13.9744180518
  C         2.8870912065       14.2967372727       14.6195787837
  C         4.9506416718       15.7680654655       11.6614469707
  C         5.8598837196       14.8905469060       12.5697766952
  H         6.3338728977       15.5452222682       13.6626644998
  H         5.2921835757       13.9005585826       13.2097650194
  H         6.7140169113       14.5680111963       11.9338767110
  C         4.1493703365       14.8971812906       10.6449782531
  H         3.3919866901       15.8036181751        9.9600236340
  H         4.9843879580       14.3563418883       10.1137021123
  H         3.3699208255       13.9654973161       11.1627263552
  C         5.5720810616       17.0574594632       11.0490356753
  H         6.0460582743       17.6082391491       11.9093589974
  H         6.4824827748       16.3490150184       10.3663449386
  H         4.6883771612       17.6920150933       10.2513754362
  C         2.2770370340       17.5322429496       12.5411975429
  C         1.7719600890       17.2194835399       11.0956804470
  H         1.3495221299       16.1928068368       11.2584338712
  H         0.8234201304       18.2127656155       11.2341579335
  H         2.9083701530       17.0270463657       10.2567976786
  C         3.0957640721       18.8189327144       12.6807386381
  H         3.6230242158       19.2855704115       11.7020468099
  H         2.5397016230       19.6972434504       12.2468400344
  H         3.4750551611       19.4130603100       13.5748699991
  C         1.3498906161       17.4431698265       13.8383585986
  H         1.8946796445       18.0928960547       14.8505866024
  H         0.6047122944       18.4750472800       13.1065941223
  H         0.7304436157       16.3495789443       13.5781850847
  H         6.1038769778       17.7843432569       14.4736518580
  F         7.0726649815       10.5109995703       16.9421274752
  F         5.9761345156        8.9068842302       17.9863707140
  F         5.3216316220       10.9815714991       18.1583788509
  F         5.7644838305       11.6645130396       12.3886060374
  F         4.6266470331       10.0715817131       11.4173169529
  F         3.5948794991       11.8347224023       12.1594944632
  F         2.9296812499        6.0407745846       10.3207405169
  F         1.7770215706        4.1983208328       10.5844024193
  F         3.2972120880        4.7496143070       12.0414156293
  F        -2.7022052617        7.9245874537       11.3285404631
  F        -2.7705132514        5.7380103376       11.2656265226
  F        -3.2499029865        6.7732056807       13.1175138587
  F        -1.7976001140        4.7509856865       17.9989217620
  F        -1.0253561733        5.9843648869       19.6209855548
  F        -0.5305555462        3.8491856109       19.5426097911
  F         4.1436662774        3.4152177865       16.0809589844
  F         5.1932138208        4.9379641035       17.2709407330
  F         4.1423836352        3.3028295651       18.2785821614
  F        -1.9496664508       11.7376988043       13.6598017876
  F        -1.1685344527       13.4619706935       14.9259403479
  F        -3.1202327076       12.4049959256       15.4784995967
  F        -1.2933522615       11.9356976228       19.9923627266
  F        -0.2083379203        9.7234190783       20.1979415302
  F         0.9018423655       10.8232907273       20.0261515100
  C         2.8437662133        8.9668258841       15.1795041004
  C         3.7241238707        9.1464328606       16.2564457321
  H         3.4386926111        8.6785003769       17.3265244404
  C         4.9333981724        9.8746283437       16.1076333217
  C         5.2327928769       10.4838186964       14.8650911015
  H         6.2332735212       11.0995850465       14.7262243685
  C         4.3443118383       10.3242440652       13.7778368313
  C         3.1530673273        9.5780454891       13.9645130603
  H         2.3930341972        9.4514151967       13.0520937485
  C         5.8379766553       10.0653038684       17.2878674509
  C         4.6023980374       10.9619003468       12.4504614754
  C         0.8455926445        7.4912932804       13.9788624274
  C         1.7571665662        6.7604109024       13.2102096137
  H         2.9329006478        6.7377514436       13.4880395038
  C         1.3248402813        6.0279225322       12.0721915896
  C        -0.0335511898        6.0340289159       11.6637031595
  H        -0.3893031326        5.4872150226       10.6631713540
  C        -0.9629688782        6.7518579017       12.4526778782
  C        -0.4996006116        7.4497682392       13.6029436470
  H        -1.2993425784        8.0641424918       14.2446851063
  C         2.3101426623        5.2584216829       11.2511764274
  C        -2.4057703071        6.7931273507       12.0422378288
  C         1.5430155576        6.8884860495       16.3940382095
  C         0.4523062594        6.4423800849       17.1391248855
  H        -0.5644361201        7.0604037434       17.0499637671
  C         0.5149179695        5.3046878421       17.9799861554
  C         1.7062680011        4.5454822196       18.0490251989
  H         1.7935322852        3.6507831864       18.8435366572
  C         2.8113393383        4.9592705725       17.2650959414
  C         2.7095559104        6.1225002142       16.4628759694
  H         3.6151349568        6.4770738796       15.7624255697
  C        -0.6967046264        4.9574304727       18.7808333369
  C         4.0747472419        4.1541852975       17.2250573992
  C         0.4158805328        9.3633952751       16.0170000641
  C        -0.2889341224       10.2985997568       15.2300311089
  H        -0.2708827707       10.0990892688       14.0433555209
  C        -1.0778732189       11.3215655838       15.7618019641
  C        -1.1233044266       11.5180960335       17.1345510390
  H        -1.7213686519       12.3797298397       17.7288222746
  C        -0.3624104835       10.6133681067       17.8605120016
  C         0.4204470290        9.5550464968       17.3974263767
  H         1.0045356767        8.8780212569       18.2238843076
  C        -1.8892052828       12.2983043143       14.8979653606
  C        -0.3723178255       10.8936402390       19.3671116245
  B         1.3935950586        8.1883491711       15.3846853854
  F        -9.0653120654       19.6509182038       13.0168434834
  F        -7.9834704105       18.0597324246       11.9803553734
  F        -7.3136088623       20.1355781698       11.8218975448
  F        -7.7359343705       20.8131997929       17.5707167802
  F        -6.6007704298       19.2178558547       18.5549437531
  F        -5.5686609871       20.9926680037       17.8030648947
  F        -4.8993656368       15.2007465953       19.6478805793
  F        -3.7520019122       13.3564041113       19.3835743136
  F        -5.2891098244       13.8949887906       17.9427802349
  F         0.7157888660       17.0228356792       18.6483144578
  F         0.8000288918       14.8246397314       18.6399447873
  F         1.2811978056       15.9197991671       16.8264684627
  F        -0.1830248129       13.9076618897       11.9663629330
  F        -0.9438293991       15.1272477840       10.3164114420
  F        -1.4437575954       12.9988803022       10.4211641677
  F        -6.1222656156       12.5645556190       13.8918175617
  F        -7.1772423916       14.0885346974       12.6999110409
  F        -6.1150902120       12.4678543104       11.6898017127
  F        -0.0172317623       20.8939373903       16.3290803507
  F        -0.8098827458       22.6263765752       15.0518597689
  F         1.1514815528       21.5558819291       14.4973184080
  F        -0.8033856164       21.0103470849        9.7561071756
  F        -1.5333143857       18.7961397399        9.5665336517
  F        -2.9894254582       20.2518195741        9.8672300566
  C        -4.8391049484       18.1325574411       14.7955854134
  C        -5.7082014448       18.2881486024       13.6846764881
  H        -5.4426136316       17.8454135747       12.5861067247
  C        -6.9114068661       19.0268440689       13.8707832234
  C        -7.2086032388       19.6492056579       15.1110580317
  H        -8.2095462616       20.2662518455       15.2402914156
  C        -6.3252832653       19.4825650912       16.2028712918
  C        -5.1261257673       18.7418972844       16.0372131752
  H        -4.3442360329       18.6207016221       16.9421133711
  C        -7.8193783315       19.2091663321       12.6905749216
  C        -6.5762356281       20.1151954418       17.5320486869
  C        -2.8023497664       16.6262957381       16.0136000371
  C        -3.7646044414       15.9087111515       16.7671643994
  H        -4.9681505000       15.9165405297       16.5461548386
  C        -3.3021412121       15.1774485229       17.8987491601
  C        -1.9381126288       15.1686027587       18.2985807028
  H        -1.5771828925       14.5821393707       19.2699101635
  C        -0.9989446996       15.8738037081       17.5068236548
  C        -1.4256280215       16.5865241158       16.3500694967
  H        -0.6103651683       17.1752476255       15.7033248484
  C        -4.2932424184       14.4090642654       18.7172760767
  C         0.4469460025       15.9080950446       17.9047247435
  C        -3.5242428763       16.0257680618       13.5761686833
  C        -2.4056175911       15.5795838006       12.8474560294
  H        -1.4003814138       16.2273872380       12.9059623029
  C        -2.4874013882       14.4545482516       11.9912961077
  C        -3.6826915148       13.7016798812       11.9377047927
  H        -3.7670764848       12.7927913668       11.1728654399
  C        -4.7938873365       14.1134532777       12.7156277065
  C        -4.7136158661       15.2746004568       13.5237947310
  H        -5.6323137717       15.6083812604       14.2272921752
  C        -1.2789466935       14.1105987402       11.1811596031
  C        -6.0553267275       13.3115568937       12.7551206815
  C        -2.3903904052       18.5200305345       13.9917850991
  C        -1.6525105483       19.4485463730       14.7998853127
  H        -1.7529302495       19.2721437681       15.9813680214
  C        -0.8868171063       20.4872641621       14.2572590169
  C        -0.8026463107       20.7139993623       12.8934790406
  H        -0.2414735590       21.5745085466       12.2301594402
  C        -1.6149455606       19.7526663752       12.2536896933
  C        -2.4525669682       18.6456543179       12.5781803123
  H        -3.0641831521       17.9952681388       11.7435701399
  C        -0.0756860769       21.4701704168       15.0974008861
  C        -1.6155387421       19.9747099600       10.7749521110
  B        -3.3836690347       17.3266284043       14.6073018979
  F         2.7426348137        7.9450109870        2.8765300433
  F         3.3680949331        9.4183150739        2.1545647251
  F         4.1698083170        7.0850981442        1.9843853667
  F         3.8205484667        6.7220087561        7.4352960291
  F         4.9948207186        8.2346993636        8.5046750361
  F         6.0639998353        6.4381038802        7.8222997146
  F         6.6359078003       12.3029434008        9.7056384243
  F         7.5963514547       14.1328738753        9.2244198694
  F         6.4149280739       13.7234469795        8.1349596754
  F        12.2645836248       10.3615556413        8.6692486423
  F        12.2933516515       12.5626960204        8.7735603688
  F        12.8420153555       11.5408889580        6.8343419332
  F        11.3918329132       13.5338590112        2.0241815372
  F        10.6063709601       12.3404412366        0.3421973766
  F        10.1028723221       14.4130989563        0.4792014274
  F         5.3802080628       14.8016486371        3.9287559196
  F         4.5256790833       13.5090501621        2.7640842266
  F         5.4276971742       14.9337503931        1.6191602900
  F        11.6711862094        6.5940806561        6.3245957319
  F        10.9604215024        4.7587693951        5.0389670116
  F        12.5894002980        5.8339765833        4.6501691895
  F        10.6304959462        6.6254311183        0.0640369577
  F        10.3068136922        8.6274426056       -0.2493434585
  F         8.6793451274        7.0320135806        0.0650108391
  C         6.8233726768        9.3644405721        4.7695249911
  C         5.9579427584        9.1551509896        3.7591408735
  H         6.1034134460        9.5975757772        2.7799532592
  C         4.8254031298        8.4738333884        3.9831742084
  C         4.4229441369        7.8040116259        5.1620228814
  H         3.4412552902        7.2650343810        5.1802854480
  C         5.2804469857        8.0444198865        6.2451010629
  C         6.4776624265        8.7362985194        5.9855749608
  H         7.1035400875        8.8661184277        6.8737507168
  C         4.0552854343        8.2972741728        2.7161307251
  C         5.0750083474        7.2769367881        7.5008229044
  C         8.8470720131       10.8292422149        6.0263290937
  C         7.8944130512       11.6131653124        6.7503501574
  H         6.6879785546       11.4429789805        6.4353075402
  C         8.3875652204       12.1594549379        7.9224702663
  C         9.7272340725       12.2637487998        8.3003489484
  H        10.0951654959       12.8183039122        9.1454515827
  C        10.5795530661       11.4747592155        7.4836460157
  C        10.1698142443       10.7629189983        6.4006814254
  H        10.9278243686       10.3148090768        5.7738233034
  C         7.3716076601       12.8808540323        8.6854000050
  C        12.0359910181       11.5057914696        7.9387934206
  C         8.0868771226       11.2770583296        3.4906013429
  C         9.1887038884       11.8578399435        2.8552738553
  H        10.0981722935       11.2897913313        2.8645654681
  C         9.1091601204       12.9853835567        1.9926996975
  C         7.9260756728       13.6921877058        1.9651198301
  H         7.8214852952       14.6985510922        1.2704994599
  C         6.8957965520       13.2581509689        2.7272496015
  C         6.9536851626       12.1050233435        3.5501813471
  H         6.0574727293       11.8834191492        4.1071217001
  C        10.3508740586       13.3312827693        1.1973399728
  C         5.6817254106       14.1611343643        2.7342450606
  C         9.1547030097        8.9846885040        3.9946753036
  C         9.9294934620        8.0689355627        4.7303397328
  H         9.8863366626        8.1945876123        5.8164383761
  C        10.7055188992        7.0478141231        4.1636978731
  C        10.7278513672        6.7929290054        2.7826450347
  H        11.2760230141        6.0170294078        2.3324169636
  C         9.9760316236        7.7008371379        2.0208142424
  C         9.2221646498        8.7258719742        2.6138243443
  H         8.7069995097        9.4934343512        2.0129722027
  C        11.3708331923        6.0809323785        5.0875416633
  C         9.8567939605        7.5762750973        0.5368376330
  B         8.2473382770       10.2045041547        4.6001257031
  F        18.5462806443       -1.9062162133        7.1473517729
  F        17.5655052058        0.1655043480        7.9773726824
  F        16.4590655774       -1.6352606711        8.3814791113
  F        17.4875418969       -2.4382799177        2.6016693577
  F        16.1933907086       -0.8431034122        1.5746053286
  F        15.1944181175       -2.7431509726        2.2669780503
  F        14.5704402270        3.2047489750        0.3633547776
  F        13.2362793835        4.9212551021        0.6358197515
  F        14.7884780624        4.5247913211        2.0984635874
  F         8.6760993200        1.4673677558        1.3040934295
  F         9.0282058326        3.2464163860        1.0343695274
  F         8.3194280807        2.3278380369        3.1684902811
  F         9.8153857950        4.4922163139        8.0086726869
  F        10.6136203099        3.2322043011        9.7565692042
  F        11.0939580960        5.2572747026        9.5179308861
  F        15.7604618361        5.7203605693        6.0914443096
  F        16.8276883820        4.2198596652        7.2679443677
  F        15.7234126904        5.8245286573        8.3594390490
  F         9.5682630369       -2.7843179531        3.4365622685
  F        10.3086574807       -4.3019262551        4.8810369576
  F         8.4094999197       -3.3697312091        5.4156115787
  F        10.3733358393       -2.7401655900        9.9343643130
  F        11.1408768814       -0.3533488823       10.2793096461
  F        12.7366215106       -1.8999455678        9.9089759064
  C        14.4326272098        0.1532247951        5.1778022178
  C        15.2590814666       -0.0526611773        6.3372364813
  H        14.9409637595        0.4126198545        7.2645376584
  C        16.3919053576       -0.8794465318        6.2758918276
  C        16.7276731548       -1.4412096600        5.0304103555
  H        17.6293716815       -2.0351134583        4.9551161016
  C        15.9407436849       -1.2671166420        3.8482796723
  C        14.8204882533       -0.4702649598        3.9837861286
  H        14.0428717464       -0.2115082972        3.0638850337
  C        17.3465205275       -1.1192117211        7.3919536054
  C        16.2568539068       -1.8776466827        2.4604020802
  C        12.4706802348        1.6469742642        4.0003016781
  C        13.3276717024        2.3989429739        3.1998931904
  H        14.3681293170        2.4193878184        3.5203555903
  C        12.9048042352        3.1273596565        2.1308506909
  C        11.5532838761        3.1272916120        1.7122763136
  H        10.7412317073        3.7025280421        0.8655915901
  C        10.7191796056        2.4022140982        2.5081623500
  C        11.0815345371        1.6545333428        3.6493898470
  H        10.3459915952        1.1684759171        4.2162326245
  C        13.8726401371        3.9370700977        1.3062686242
  C         9.2539136198        2.4112739189        2.1494817356
  C        13.1764369962        2.2744124271        6.4156613988
  C        12.0014565505        2.6865016518        7.1226462890
  H        11.0349825975        2.1222380680        7.0648058287
  C        12.1471331652        3.8169870118        7.9489371366
  C        13.3300277724        4.5892670586        8.0389444894
  H        13.2913977256        5.4524991730        8.7241348145
  C        14.3966073021        4.1569255334        7.2618014596
  C        14.3287917815        3.0533991305        6.5171260260
  H        15.1603987586        2.6915589622        5.9134759525
  C        10.9405443837        4.1614444193        8.7644297214
  C        15.6478413495        4.9696345484        7.2589325348
  C        11.9812241889       -0.1470748782        6.0967799171
  C        11.3483575407       -1.0385138798        5.2199308460
  H        11.2858780559       -1.0638552260        4.1314208190
  C        10.6523985574       -2.0780500146        5.8750771830
  C        10.4399571709       -2.2598318658        7.2195819686
  H         9.9532329336       -3.1385491704        7.6487859494
  C        11.2203863596       -1.4921545668        8.0361697326
  C        11.9689457931       -0.4178232289        7.4684730201
  H        12.4978678473        0.2418803042        8.1372882696
  C         9.7563610427       -2.9627667233        5.0539628741
  C        11.2281517153       -1.7407149946        9.5481342150
  B        13.0036349936        0.9599388202        5.4366500566
 Ir         4.8793206997        1.6596636053        4.7649593284
  P         4.0344447699        2.1343369445        2.6809459993
  P         5.8581800606        1.9363713862        6.7104673083
  O         4.8373582723        3.4847042798        2.2086321245
  O         6.7377081634        3.3392970242        6.5185441748
  N         5.8356388232        3.4643993453        4.3337762900
  C         3.5994382576       -0.6648040705        1.8591864717
  H         4.3509192238       -0.9094897957        2.8993349526
  H         3.8885294211       -1.0270868423        0.7605751563
  C         4.1272702035        0.7783717225        1.3881428668
  C         3.9064170213        1.4969550973       -0.0004332066
  H         2.8504748239        1.4601925708       -0.2099061928
  H         3.8261888009        0.7635055039       -0.9335422261
  H         3.8987921377        2.6114478828       -0.2948212822
  C         5.6530058331        0.7407219127        1.2442051445
  H         6.4749896141        1.4563893767        0.9408052626
  H         6.1428287141        0.3093209165        0.2522146433
  H         6.3210196025        0.6774369600        2.1581201100
  C         1.2141778245        2.0369637703        2.6262584044
  H         1.1538436226        1.0746564195        3.2054697825
  H         1.1229245941        1.0642116013        1.9134357189
  H         0.1369873171        2.2250732004        2.9954284181
  C         2.4189100406        2.9344925681        2.6544899839
  C         1.9671987840        3.8124394230        1.4900085790
  H         2.6115054916        4.6660339253        1.4461465944
  H         1.1871381025        4.6318288825        1.7729909003
  H         2.2039853986        3.4855473804        0.4361037921
  C         2.2096422824        3.5087091467        4.0430202067
  H         1.4023101857        4.3193867396        4.1406245772
  H         2.6922629210        4.5729900156        4.1727370372
  H         2.2099872303        3.0755849574        5.1035088088
  C         5.6622566626        3.9980613801        3.1182905981
  C         6.4235995623        5.1155190444        2.8931576150
  H         6.3555755295        5.7338804469        1.9852849000
  C         7.2706405812        5.6547059347        3.8608182965
  H         7.7302595735        6.5954658360        3.4806120567
  C         7.4224083827        5.1138999357        5.1452994666
  H         8.1859697717        5.5889975756        5.9657672714
  C         6.6523613976        3.9925391532        5.3150660867
  C         4.8250741121        2.4134519526        8.0935493678
  C         3.7511329605        3.3814402150        7.5607189367
  H         2.9491232912        2.9618428219        6.9435754300
  H         3.9944928210        4.1182285460        6.7436334598
  H         2.7651706242        3.5772015229        8.1694656424
  C         5.3421737407        3.4037437189        9.1202313161
  H         6.0776681979        3.0577490145        9.8263089499
  H         4.7819829575        3.6134382694       10.1177771586
  H         6.1836743948        4.1576583861        8.8758948331
  C         4.3143589633        1.2059716159        8.8786380336
  H         3.3409876072        0.7315006796        8.2475889634
  H         3.2713236653        1.4020592938        9.3367889957
  H         4.8217773277        0.4347490454        9.6179371655
  C         7.2066123620        0.8273608830        7.2163036478
  C         7.7657145916        0.9899076688        8.6381911834
  H         8.3246711467        1.9306050099        8.6644546533
  H         8.8613813104        0.6068674996        8.7608705386
  H         7.0804278441        1.0897817257        9.5185886457
  C         6.7260218314       -0.6218735474        7.1914761880
  H         6.0073040524       -0.9253118827        7.9339061348
  H         7.4301474966       -1.3797383141        7.6827423133
  H         6.0509402373       -0.9718906343        6.3418223519
  C         8.3406633241        1.1125664457        6.1756414267
  H         7.9601464003        0.5614089336        5.2141184843
  H         8.7333108183       -0.2225344570        6.2855946579
  H         9.1357107445        2.0672002825        6.5707650042
  H         2.3229118804        0.1260746031        1.0664833324
  H         5.8386332171        0.8557504308        4.2534640424
  C         3.4150218515        0.1488012620        5.2935779131
  H         3.4362387149       -0.7709484351        4.3328462896
  H         3.9597761300       -0.8859335858        5.8402362329
  H         2.5244714930        0.5586138180        5.7234596901
     545
 i =        6, E =     -1909.0398716485
 Ir         0.2462725870       10.9048147743        4.8512725225
  P         1.0204760798       11.3368460698        6.8759861135
  P        -1.1797393560       10.9780394976        3.0408733186
  O         0.1020620505       12.6498357689        7.4138772720
  O        -1.9773193622       12.3830222372        3.4353192320
  N        -0.9605419783       12.6368017465        5.4672011185
  C        -0.5586287326        9.8226192643        6.3481198641
  H        -1.5730094988       10.1349140755        6.6038105792
  H        -0.6047696467        8.7941389855        5.9822467473
  C         0.2785793509        9.7858137371        7.6575140195
  C         1.3104343187        8.6683621214        7.6453193362
  H         1.8510241313        8.6335416877        6.6984322896
  H         0.7298446038        7.7703477649        7.8427086406
  H         1.9834547780        8.8969232562        8.4810941972
  C        -0.4976996882       10.0155038921        9.0453456780
  H         0.6107508743       10.3796181298        9.7343893668
  H        -1.0930956642        9.0778390043        9.0367196450
  H        -1.1792172479       10.8717207300        8.8534190693
  C         3.8119195035       11.0772361208        7.2610061269
  H         3.9155534745       10.9215867228        6.2261415626
  H         3.6773146328        9.8933034988        7.1134526655
  H         4.9377635380       11.5048241037        7.0329471543
  C         2.5587263590       11.8747731375        7.6438507381
  C         2.7944912968       11.9281328158        9.1943060203
  H         1.8572629049       12.7492887953        9.6525747249
  H         3.8348477685       12.2711739046        9.3967210104
  H         2.3031616438       10.7339024529        9.6414207620
  C         2.8115291914       13.3086261004        7.1784627476
  H         3.8506790048       13.8921497410        7.0899848547
  H         2.2664891921       14.3431504556        7.3928406116
  H         3.1291878541       13.6383948693        6.0768636910
  C        -0.8285711381       13.1890575383        6.6330875610
  C        -1.5615264293       14.1885079993        7.0307341063
  H        -1.5283913699       14.7095300154        7.9848680268
  C        -2.5350155669       14.7105741307        6.1482510446
  H        -3.2149238094       15.5987150243        6.2778054549
  C        -2.7798928083       14.1117585002        4.9131599932
  H        -3.4609746844       14.5327755892        4.1818358165
  C        -1.9146245249       13.1334110139        4.5955996377
  C        -0.0185880903       11.8562039793        1.8194974316
  C         1.0607912509       12.5091992797        2.6388251816
  H         1.4744572289       11.8527522712        3.4221067946
  H         0.5419588810       13.3870854688        3.0171927197
  H         1.8481041272       12.8002190596        1.9305522092
  C        -0.7006561952       12.6479848589        0.6163537982
  H        -1.2927037293       11.7518560108       -0.0995104062
  H         0.1917052952       13.0590669145        0.1095780294
  H        -1.2069793030       13.4041108214        1.2396327834
  C         0.6021431146       10.6719887741        1.0228035649
  H         1.2016748800        9.8264311047        1.4414928458
  H         1.7860021340       10.7045163854        0.7136525339
  H         0.0484207731        9.7573073063        0.5807633836
  C        -2.6232717719        9.7599396451        2.6982889653
  C        -3.0478812970       10.1698861999        1.2866395017
  H        -3.4291053216       11.1945640359        1.2425389460
  H        -3.8876356429        9.5007488209        1.0786411815
  H        -2.3484218402       10.0466602093        0.4485426014
  C        -1.7584390186        8.3272752454        2.4942830708
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  H         3.4350745192        7.2687461966        5.1947321973
  C         5.2777677646        8.0748586814        6.2766200869
  C         6.4840290592        8.7373817768        5.9658457600
  H         7.0800134230        8.8806697649        6.8735005664
  C         4.1383764806        8.3097844839        2.7389954225
  C         5.0940619315        7.2520441303        7.5002096443
  C         8.8673472288       10.8359703616        6.0323221667
  C         7.8850651506       11.6168655415        6.7356476447
  H         6.6649294217       11.3867709922        6.4171303446
  C         8.4137759091       12.1136220366        7.9068013964
  C         9.7468377441       12.2614356421        8.2971573894
  H        10.1323341075       12.8162433012        9.1308055671
  C        10.5805691749       11.4458212747        7.4702514431
  C        10.1756010154       10.7382298845        6.4055308555
  H        10.9379312246       10.3201383113        5.7658274997
  C         7.4091255909       12.7936670510        8.6838913210
  C        12.0415751947       11.5053792202        7.9423838362
  C         8.0893342292       11.2252901995        3.4489016103
  C         9.1895954687       11.8610219329        2.8597192391
  H        10.0837087479       11.2826080221        2.8628643042
  C         9.1102253853       12.9903773761        1.9840760617
  C         7.9274998746       13.6819031234        1.9690099094
  H         7.8087656939       14.7061887863        1.2740632080
  C         6.9234734917       13.2359990593        2.7270782393
  C         6.9708006843       12.0763035006        3.5551301528
  H         6.0678347646       11.8872198745        4.1080873535
  C        10.3638553164       13.3286676826        1.1928183852
  C         5.7269224714       14.1715938737        2.7220754357
  C         9.1403405988        8.9931305498        4.0090447770
  C         9.9303128543        8.0763453807        4.7231225692
  H         9.8669724699        8.2215571102        5.8080226367
  C        10.7168383612        7.0631728751        4.1561642487
  C        10.7369404340        6.7818841782        2.7770788973
  H        11.2712234896        6.0170669500        2.3279251090
  C         9.9811497364        7.7065848320        2.0310647624
  C         9.2179702232        8.7222617877        2.6320512453
  H         8.7143797664        9.5475172277        2.0768665576
  C        11.3296489577        6.0923537591        5.1069358239
  C         9.8358152532        7.6141898101        0.5515757947
  B         8.2512139493       10.2344624736        4.5934399112
  F        18.6118050316       -1.9470915003        7.1284412251
  F        17.5578640057        0.1694026581        7.9510055072
  F        16.4400501636       -1.6289201093        8.3491229274
  F        17.4911373080       -2.4422689792        2.6331373656
  F        16.1966554418       -0.8349931492        1.5729431928
  F        15.1989996239       -2.7342224870        2.2699880677
  F        14.5821189834        3.2154068041        0.3587862254
  F        13.2404920181        4.9165726478        0.6444809261
  F        14.7825431577        4.5248967218        2.0957177524
  F         8.5918047890        1.5677083549        1.2596473623
  F         9.1326645711        3.1964922360        0.9120518431
  F         8.3147738136        2.3107513842        3.1692631843
  F         9.8170714108        4.5312296041        8.0136363124
  F        10.6270213955        3.2607800284        9.7947722423
  F        11.0879399493        5.2422962580        9.5070313391
  F        15.7713779668        5.7135758731        6.0926821336
  F        16.8426217395        4.2301527387        7.2641247625
  F        15.7204578736        5.8061914100        8.3975209427
  F         9.5473895437       -2.8692912431        3.3608533264
  F        10.2860389929       -4.2733240811        4.8941902199
  F         8.3860785263       -3.3891531910        5.4143940872
  F        10.3422883267       -2.7727446088        9.9349870536
  F        11.1924454113       -0.3351698064       10.3325131107
  F        12.7654523352       -1.8459710200        9.9159602575
  C        14.4448401548        0.1426619174        5.1639875239
  C        15.2637129101       -0.0499039372        6.3462436306
  H        14.9225926990        0.4230771512        7.2604129258
  C        16.3933995311       -0.8857496923        6.3046303298
  C        16.7235916789       -1.4387283526        5.0515028821
  H        17.6286746169       -2.0255365948        4.9690441424
  C        15.9447662643       -1.2753504860        3.8460849628
  C        14.8345695596       -0.4833408584        3.9751932979
  H        14.0250900136       -0.1924098382        3.0671698844
  C        17.3944153531       -1.1471252812        7.3710383272
  C        16.2772766986       -1.8779361739        2.4386304280
  C        12.4890282660        1.6522110925        3.9925987757
  C        13.3267723343        2.4046715339        3.1843652537
  H        14.3626151426        2.4136884564        3.5246187401
  C        12.8977108285        3.1277633501        2.1235484098
  C        11.5375963039        3.1312059042        1.7154161116
  H        10.5672570040        3.6554324811        0.9012127321
  C        10.7339798727        2.4066066078        2.5164293743
  C        11.0857128854        1.6499422804        3.6575204537
  H        10.3568964405        1.1766109555        4.2098532118
  C        13.8773553307        3.9403965599        1.3059545463
  C         9.2636312697        2.4372276022        2.1616477058
  C        13.1868194306        2.2826137051        6.4247299962
  C        11.9675927416        2.6684009071        7.1079442234
  H        10.9794321850        2.1106937750        7.0356944386
  C        12.1483822968        3.8049268858        7.9342576241
  C        13.3332001776        4.5898334474        8.0358449290
  H        13.2533105224        5.4487132202        8.7405745234
  C        14.3952118890        4.1568322281        7.2620521596
  C        14.3308133526        3.0679758342        6.5296141422
  H        15.1501572303        2.6878970604        5.9174872251
  C        10.9481155371        4.1554810288        8.7553810288
  C        15.6437969773        4.9687944639        7.2696363609
  C        11.9800001982       -0.1370420001        6.1136692491
  C        11.3681421295       -1.0182498126        5.2144967314
  H        11.2774633169       -1.0863714539        4.1248809380
  C        10.6918547166       -2.0619202500        5.8964445897
  C        10.4147875571       -2.2347499356        7.2261871594
  H         9.9619181203       -3.1395602833        7.6486391541
  C        11.2048211833       -1.4989656281        8.0497931420
  C        11.9648276779       -0.4187915654        7.4801438323
  H        12.4885934170        0.2334656653        8.1548073927
  C         9.7441161912       -2.9038630904        5.0724932935
  C        11.2023808562       -1.7615311352        9.5749246290
  B        13.0137054308        0.9583410122        5.4474170303
 Ir         4.9391734362        1.6762048939        4.7591714897
  P         4.0574125557        2.1472799317        2.6927734213
  P         5.8644732957        1.9397979472        6.6751216133
  O         4.8270782985        3.4725257054        2.2022967472
  O         6.7346407922        3.3290609980        6.5159947476
  N         5.8412717070        3.4740551438        4.3171909856
  C         3.5984050718       -0.7342543671        1.9359496303
  H         4.3177023023       -0.8944551455        3.0444102813
  H         3.9021453772       -1.0381385958        0.8009794511
  C         4.0770620556        0.7286881977        1.4611590363
  C         3.9903782234        1.4963226130        0.0535780623
  H         2.9567955507        1.4018864465       -0.2826253932
  H         3.6985820904        0.7593825184       -0.9562651705
  H         3.8286580521        2.6422434147       -0.2828335533
  C         5.5889008748        0.7147572949        1.2852733970
  H         6.5544693143        1.3236949274        0.9630644361
  H         6.2207709609        0.4106594612        0.2255893637
  H         6.3691334086        0.7468154335        2.1628536351
  C         1.2446467417        2.0946777223        2.5989249408
  H         1.0381057340        1.1330108633        3.1979040225
  H         1.1272222936        0.9828570467        1.9569145212
  H         0.1350461355        2.1728610027        3.0737697203
  C         2.4781293969        2.9367141852        2.6633604875
  C         1.9374890709        3.7414056951        1.4811345611
  H         2.5038620247        4.6447059667        1.4057329673
  H         1.2525940190        4.7227873263        1.7825182128
  H         2.2531036395        3.5363828290        0.3781453916
  C         2.2266420295        3.4708400392        4.0554940357
  H         1.4355375795        4.3284640502        4.1625632006
  H         2.6476014845        4.6064708846        4.1907423293
  H         2.2230165542        3.1164041109        5.1821112774
  C         5.6424345517        3.9838092908        3.1057882523
  C         6.4166889708        5.0865173548        2.9168678855
  H         6.4020204872        5.8012099724        2.0531080552
  C         7.2611500646        5.6282736278        3.8815328953
  H         7.6457963605        6.5851573702        3.3814101565
  C         7.4273719637        5.1075794135        5.1732017837
  H         8.2088189624        5.6035532444        5.9834706804
  C         6.6531735985        3.9961499789        5.3152682014
  C         4.8547094959        2.3480027407        8.0518565764
  C         3.8165961952        3.3901152673        7.5830526400
  H         2.9220594292        3.0891066081        6.9784014905
  H         3.9480905946        4.1031986029        6.6734508073
  H         2.6753962329        3.5109961488        8.0887164007
  C         5.2832871417        3.4109185372        9.0464035104
  H         6.0173844466        3.1910011514        9.8277728250
  H         4.8487389499        3.5643304110       10.1945249595
  H         6.2747705041        4.1321887808        8.9379010702
  C         4.3618483385        1.1670226163        8.9006119967
  H         3.2422970918        0.7607357954        8.2770287390
  H         3.2751717127        1.3968277252        9.3076391574
  H         4.8080269817        0.3112660503        9.6736077247
  C         7.2070593653        0.8633315558        7.1679242482
  C         7.7066963323        0.9471422660        8.6231579629
  H         8.4227190162        1.8180299011        8.6358563383
  H         8.9116192053        0.7155999794        8.7583138492
  H         7.0518923631        1.1629195080        9.5407967981
  C         6.7583528404       -0.5817980590        7.1423495771
  H         6.0815768041       -0.9844964495        7.8853889908
  H         7.3796248913       -1.3929194668        7.7516181451
  H         5.9587121237       -0.9871839307        6.3667685568
  C         8.3502129442        1.2013876690        6.1387665560
  H         7.9664336587        0.5059365520        5.1981293733
  H         8.6202027480       -0.2877738525        6.2614968916
  H         9.3359519553        2.1062345408        6.7586106967
  H         2.3283243307        0.2489375500        0.8164833324
  H         5.8287154212        0.8701782498        4.2596035232
  C         3.4076969163        0.2352646124        5.2848872077
  H         3.5271649795       -0.8597702006        4.3846704263
  H         3.8946977875       -0.9652167047        5.7209887009
  H         2.5032131224        0.5629407347        5.7195678896
     545
 i =        7, E =     -1910.9548401801
 Ir         0.2427322608       10.8760322625        4.8395715309
  P         0.9880511521       11.3096133049        6.8553027744
  P        -1.1970759981       10.9694690156        3.0472922278
  O         0.0991349923       12.6323160865        7.3871120956
  O        -1.9602462035       12.3637201899        3.4546947406
  N        -0.9578068221       12.6395095562        5.4776928515
  C        -0.5386742828        9.8520851321        6.3492452233
  H        -1.5530748708       10.1472496719        6.6207395056
  H        -0.5794830361        8.8248451601        5.9816277869
  C         0.2779823013        9.7537911000        7.6679525440
  C         1.3114870205        8.6509244833        7.6400793238
  H         1.8439327719        8.6376759032        6.6897129719
  H         0.7233825240        7.7625205197        7.8405484382
  H         1.9742185216        8.9090088194        8.4761349865
  C        -0.4624565291       10.0231774467        9.0912357958
  H         0.7755745020       10.4721078349        9.6786828755
  H        -1.0767705366        9.0886851400        9.0345136101
  H        -1.1681237321       10.8590456836        8.8554990787
  C         3.7919920107       11.1094349016        7.3505042384
  H         3.9583611584       10.8584768218        6.3376685219
  H         3.6847444005        9.8657821762        7.0053504002
  H         4.9795703377       11.5106469878        6.9281201652
  C         2.4873299941       11.8648556091        7.6641039311
  C         2.7972596955       11.9034415679        9.2185130806
  H         1.8607856233       12.7667967871        9.6902990702
  H         3.8560130271       12.2459207297        9.3667104740
  H         2.0981397560       10.7098068075        9.6785570964
  C         2.7980599623       13.2869543791        7.1861138318
  H         3.8263919579       13.9404169475        7.0953813885
  H         2.3028481493       14.4107832438        7.3612272908
  H         3.1194434022       13.6749106317        6.0746389482
  C        -0.8256572952       13.1820097334        6.6246667727
  C        -1.5419303178       14.1630615967        7.0275221823
  H        -1.5391422053       14.7077421742        7.9723193628
  C        -2.5239221952       14.6931988944        6.1520108186
  H        -3.2208704768       15.5940556641        6.2291497215
  C        -2.8007108959       14.0882295104        4.9275738330
  H        -3.4508912085       14.5450916357        4.1854000408
  C        -1.9128827112       13.1520705485        4.6020830170
  C        -0.0388421473       11.9118236120        1.8547584349
  C         1.0653892917       12.5145981011        2.6484114222
  H         1.4633102066       11.8471058987        3.4209106086
  H         0.5379323090       13.3863117264        3.0206257577
  H         1.8399853508       12.7940359471        1.9233676520
  C        -0.7193932994       12.6628996040        0.5996352627
  H        -1.2777195195       11.7156004512       -0.1183677894
  H         0.1933429831       13.0615624947        0.1160238959
  H        -1.1975129674       13.4123900235        1.2566888453
  C         0.5373731335       10.7390686248        0.9997223920
  H         1.2040715064        9.8426358451        1.2923986289
  H         1.8460957947       10.6222216814        0.7889309121
  H         0.0471939735        9.6984763675        0.6247477764
  C        -2.6493432770        9.7554997424        2.7076806483
  C        -3.0482437656       10.1722509295        1.3016501620
  H        -3.4206066140       11.1972074747        1.2625915695
  H        -3.8787935582        9.4935711594        1.1003585004
  H        -2.3332098042       10.0384776438        0.4801974520
  C        -1.7474143624        8.3123144470        2.4788817087
  H        -0.9654134266        8.4616141914        1.4970259746
  H        -2.7692989200        7.6635736815        2.2781468147
  H        -1.3646935193        8.3109397423        3.6576131124
  C        -3.8473432954        9.8481613903        4.0438381876
  H        -2.4246571119        9.6118178434        5.0339548037
  H        -4.5451730438        8.6736967414        2.9253863858
  H        -3.9460200325       11.5965613701        3.3311944889
  H         1.1955501800        9.8192889263        4.4580476730
 Ir         9.2561610931        7.1740960031       15.1215953111
  P         8.4261931426        6.9949509181       12.9928897241
  P        10.6411805252        7.3213974397       17.0005123205
  O         9.4690676803        5.5750795846       12.3523575662
  O        11.6331176241        5.8185874807       16.4238989904
  N        10.6052670714        5.6140388386       14.3341572255
  C        10.2498050881        8.5498494905       13.5712397322
  H        11.5175343973        7.7749107655       13.2249277641
  H        10.0984443114        9.9445780855       14.1162281705
  C         9.1934145145        8.5992851299       11.9935896900
  C         7.8488001033       10.0416561086       12.1667569210
  H         7.6105473911        9.4413439534       13.7815401212
  H         9.4848338878       10.7523967087       11.8481943624
  H         7.1672164146        8.5674480770       10.8978925007
  C        10.4547152859        8.1215216356       10.6104703016
  H         8.7676313777        7.8980219319       10.0157519253
  H        10.8438210185        9.3910700111       10.8471726231
  H        11.0644741601        7.0353517927       10.9688788349
  C         5.8341644191        6.8866438437       12.7841007243
  H         5.7719261944        7.4084054681       13.8955306410
  H         5.7096136103        8.1182102174       12.8533496489
  H         4.5555423620        6.8996712140       12.8447886794
  C         7.0984883516        6.1394301879       12.2853539708
  C         7.0788307575        6.2533446821       10.7634877524
  H         7.8261946559        5.5194101255       10.4267084002
  H         5.6872713465        5.9639790967       10.5952189532
  H         6.6824139329        7.5646332104       10.1909351419
  C         6.8231425540        4.7603698537       12.9155087451
  H         5.5438062293        4.5149438640       12.3480619250
  H         7.5204553966        4.0540897514       12.4420526301
  H         6.6161340934        4.7651891898       14.2902107503
  C        10.3921379033        4.9742231529       13.1031458572
  C        11.3669769952        3.9587729013       13.0676732864
  H        11.0719675038        3.6638300992       12.0911307958
  C        12.2666300210        3.2901711169       13.8258803138
  H        12.9042639274        2.4805385420       13.5439784478
  C        12.3762826556        4.0741427164       15.0076647654
  H        13.2343909710        3.6280525566       15.9277433632
  C        11.4820490599        5.1178812611       15.3100227902
  C         9.6774547381        6.6636876803       18.3517661695
  C         8.6634804514        6.0356600787       17.4649293208
  H         8.0527278283        6.1402553201       16.3311347251
  H         8.5801856982        5.0235785162       16.7691315958
  H         7.6721644475        5.2753061744       17.6007580572
  C        10.1163304558        5.6392089126       19.3794263612
  H        11.1222861073        6.6887494591       19.7821547159
  H         9.1901462755        5.2098644038       19.8449610678
  H        11.2650744630        4.9202948305       18.9072401235
  C         8.9156518372        7.8652765290       18.8301282203
  H         8.2377206712        8.6820593896       17.9673552955
  H         7.7757444485        7.4344397715       19.4765788049
  H         9.6156065350        8.3873441127       19.5265121686
  C        12.1607467862        8.3357035942       17.5021678468
  C        12.7064484219        7.9720164156       18.8852319355
  H        13.1276895808        6.9572945994       18.7115032583
  H        13.4135150370        9.2713350885       18.7540329405
  H        11.4186379116        7.7587001746       19.6779565543
  C        11.3618109276        9.5966790594       17.3010206005
  H        10.8368597054       10.2890261073       18.2411583736
  H        11.9768301372       10.3774605178       17.9377574660
  H        10.9197444370       10.4604543167       16.4029850747
  C        12.9879774918        8.0594225922       16.1548738159
  H        12.4391458457        9.3314195964       14.8886777689
  H        14.1072080117        9.3790988429       16.3745395484
  H        14.3072241454        6.9100223361       16.7771165137
  H         8.3605031380        8.6264305551       15.4194979433
 Ir         5.3952081587       16.0380871576       14.5213646785
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  H         4.3463122345       19.0488373698       15.8898200255
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  H         5.0431634673       19.9356548661       17.9914380158
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  H         3.8233808305       18.7443368940       19.0502437240
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  H         4.9885554836       14.3557909706       10.0885330921
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  H         2.5881136903       19.6680543851       12.3631682099
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  H         0.7111460562       18.5025789605       12.7257917151
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  C         1.7064881124        4.5055625579       18.0756807275
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  F        -2.8921052327       20.0909242249        9.6584383920
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  C        -7.1990731380       19.6723132342       15.0978061918
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  C        -5.1180407875       18.7583107235       16.0425104604
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  C        -1.9395749116       15.1679762537       18.3204219020
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  C        -1.3991268663       16.5650919150       16.3382227948
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  C         0.4691655841       15.9056272918       17.9127103765
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  C        -6.0744044423       13.3115792175       12.7665014821
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  H        -1.8044329983       19.2598761565       16.0343012054
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  C        -0.7328049810       20.7434562586       12.9655420673
  H        -0.2435721927       21.5915776160       12.1503348316
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  C        -2.5188930820       18.5899401487       12.5885180881
  H        -3.1298592070       17.9881403284       11.6780468374
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  C        -1.5097909301       20.0126388444       10.9710548672
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  F         2.8526653262        7.9946397243        2.6710600693
  F         3.2637062562        9.3967340353        2.2715718068
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  F        12.2284730671       12.5525387573        8.8290511195
  F        12.8146655792       11.5543788542        6.8232698056
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  F        10.5752130275       12.3514541840        0.3585156006
  F        10.0926101829       14.3774445453        0.5028033140
  F         5.2626873497       14.7109451355        3.9443328335
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  F        11.7597823341        6.6316902880        6.3316343015
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  F        12.4485136949        5.8090700062        4.7413268428
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  F        10.3929838519        8.5907935822       -0.3466874666
  F         8.7278041443        6.9154797008        0.0183647652
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  C         6.0152417844        9.1351021445        3.7613533562
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  C         4.4607291652        7.7680924000        5.2088848114
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  C         6.4919120482        8.7382542077        5.9400265717
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  C         4.2232716900        8.3253693819        2.7709558165
  C         5.1154059978        7.2238040914        7.4987013269
  C         8.8914069469       10.8432475546        6.0392103970
  C         7.8765318691       11.6149127132        6.7267556489
  H         6.6451526408       11.3204400424        6.3973016049
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  C         9.7632680904       12.2570943866        8.2920112881
  H        10.1744432607       12.8119218024        9.1102626310
  C        10.5779706795       11.4108705252        7.4543411708
  C        10.1822919794       10.7079965287        6.4099578732
  H        10.9507598824       10.3264152423        5.7551207315
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  C        12.0454986302       11.5051403940        7.9459681759
  C         8.0953398581       11.1627928976        3.4007729426
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  C         6.9922819252       12.0395572319        3.5592496124
  H         6.0812034056       11.8915882792        4.1087375666
  C        10.3784592352       13.3255249050        1.1872928153
  C         5.7828308543       14.1835542036        2.7044065938
  C         9.1243218943        9.0024715461        4.0253940600
  C         9.9315436362        8.0848018411        4.7145710107
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  C        10.7478966204        6.7675823771        2.7696493217
  H        11.2663051429        6.0158967990        2.3235730455
  C         9.9873773787        7.7150317346        2.0449206560
  C         9.2115556263        8.7212729907        2.6520452109
  H         8.7193440355        9.6204067459        2.1574516184
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  C         9.8112873495        7.6620868939        0.5719020289
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  F         9.2574558233        3.1387571018        0.7607504630
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  F         9.8188196061        4.5753493608        8.0201342782
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  F        15.7861806453        5.7053228670        6.0948281875
  F        16.8611382888        4.2448026172        7.2592319170
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  F        11.2461891107       -0.3222048122       10.4058931564
  F        12.7945337791       -1.7879644819        9.9309258161
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  C        15.2682455267       -0.0461800086        6.3576810054
  H        14.9021790374        0.4348646639        7.2568993654
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  C        16.7185908243       -1.4358588178        5.0784111998
  H        17.6269552806       -2.0156630831        4.9862284633
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  C        14.8504837595       -0.4974467911        3.9647584094
  H        14.0074390513       -0.1700736701        3.0715992637
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