134
Complex 5
Ir         0.01339        0.05709       -0.72964
P         -1.51450       -1.30111        0.15885
P          1.52236        1.34987        0.27276
N          1.14825       -1.77068       -0.67993
N         -1.12160        1.87841       -0.57633
C         -0.71691       -2.76645        0.49070
H         -1.12543       -3.60738        1.04971
C          0.61166       -2.83554       -0.00702
C          1.38083       -4.02271        0.22724
H          0.90831       -4.83226        0.78745
C          2.66223       -4.12228       -0.22179
H          3.26165       -5.01760       -0.03081
C          3.22606       -3.05085       -0.97342
C          4.53611       -3.13050       -1.50265
H          5.12250       -4.03185       -1.29964
C          5.05942       -2.10312       -2.26383
H          6.07173       -2.17197       -2.67165
C          4.26199       -0.96986       -2.52083
H          4.65629       -0.15784       -3.13847
C          2.98152       -0.86254       -2.01118
H          2.36123       -0.00836       -2.26034
C          2.42587       -1.88712       -1.21092
C         -3.28047       -1.19575        0.62412
C         -4.26252       -1.63860       -0.33130
C         -5.56966       -1.17256       -0.16869
H         -6.32604       -1.47222       -0.88712
C         -5.97233       -0.33695        0.87658
C         -5.02111       -0.02100        1.84070
H         -5.33055        0.57570        2.69031
C         -3.68248       -0.43660        1.76564
C         -4.02794       -2.71736       -1.43625
C         -2.93023       -2.39100       -2.47255
H         -2.78737       -3.26597       -3.13045
H         -1.94848       -2.15331       -2.04265
H         -3.22355       -1.54255       -3.11001
C         -3.70486       -4.05043       -0.72068
H         -4.49963       -4.30421        0.00272
H         -2.74963       -4.00438       -0.18299
H         -3.63536       -4.86900       -1.45983
C         -5.30180       -2.97664       -2.27212
H         -5.64332       -2.07049       -2.80128
H         -6.13655       -3.36620       -1.66584
H         -5.07187       -3.73702       -3.03743
C         -7.43012        0.13826        0.95885
C         -8.35758       -1.09119        1.07838
H         -8.11400       -1.68028        1.98021
H         -8.26678       -1.75899        0.20481
H         -9.41327       -0.77168        1.14957
C         -7.67859        1.05047        2.17165
H         -8.73095        1.38446        2.17699
H         -7.04163        1.95142        2.14046
H         -7.49133        0.52803        3.12568
C         -7.78361        0.93075       -0.31706
H         -7.64197        0.32591       -1.22875
H         -7.14368        1.82403       -0.40800
H         -8.83954        1.25614       -0.28675
C         -2.76572       -0.07301        2.96938
C         -3.58937        0.36777        4.20148
H         -2.90256        0.50516        5.05396
H         -4.34056       -0.38695        4.49198
H         -4.10218        1.33152        4.04671
C         -1.83048        1.10201        2.62377
H         -1.25384        1.40005        3.51741
H         -2.41133        1.97441        2.28030
H         -1.11260        0.84207        1.83623
C         -1.94407       -1.29617        3.42853
H         -1.20890       -1.62153        2.68162
H         -2.60602       -2.15112        3.65492
H         -1.38174       -1.04330        4.34493
C          0.72566        2.79503        0.68373
H          1.12715        3.59862        1.29978
C         -0.59584        2.89690        0.17235
C         -1.37009        4.06533        0.47382
H         -0.90601        4.83739        1.09111
C         -2.64675        4.19147        0.01784
H         -3.25031        5.07154        0.25989
C         -3.19936        3.17076       -0.80899
C         -4.50225        3.28402       -1.35063
H         -5.09459        4.16845       -1.09604
C         -5.00959        2.31189       -2.19062
H         -6.01276        2.40900       -2.61332
C         -4.20767        1.19722       -2.50853
H         -4.59061        0.42944       -3.18705
C         -2.93534        1.05674       -1.98708
H         -2.30940        0.22257       -2.28448
C         -2.39311        2.02740       -1.11368
C          3.28241        1.18629        0.73359
C          4.27072        1.66028       -0.19305
C          5.55470        1.10682       -0.10635
H          6.30415        1.42122       -0.82217
C          5.92136        0.15882        0.84735
C          4.97502       -0.16585        1.81944
H          5.27607       -0.83902        2.61685
C          3.66457        0.32364        1.81045
C          4.06977        2.83784       -1.19745
C          3.76336        4.10812       -0.36958
H          4.55920        4.28621        0.37495
H          2.80627        4.02948        0.16063
H          3.70817        4.98900       -1.03454
C          5.35784        3.14619       -1.99332
H          5.67639        2.29440       -2.61820
H          6.19863        3.43856       -1.34224
H          5.15820        3.99287       -2.67172
C          2.97651        2.62188       -2.26735
H          2.85995        3.54994       -2.85398
H          1.98589        2.37197       -1.86536
H          3.25729        1.82040       -2.96841
C          7.32385       -0.46301        0.90221
C          7.21079       -1.99753        1.02772
H          8.21704       -2.45407        1.03807
H          6.64292       -2.41672        0.18050
H          6.70057       -2.30005        1.95763
C          8.14635       -0.14715       -0.35869
H          8.34757        0.93279       -0.46311
H          7.63079       -0.49225       -1.27167
H          9.12304       -0.65918       -0.30537
C          8.06901        0.10019        2.13238
H          9.08298       -0.33457        2.20422
H          7.53252       -0.13087        3.06892
H          8.16828        1.19787        2.06268
C          2.74842       -0.07924        3.00056
C          3.57635       -0.59159        4.20180
H          4.35288        0.13059        4.50837
H          4.06027       -1.56167        4.00081
H          2.89938       -0.74535        5.05936
C          1.94689        1.13096        3.52422
H          1.39153        0.84261        4.43433
H          1.20656        1.49739        2.80147
H          2.62030        1.96798        3.78156
C          1.79183       -1.21970        2.60130
H          2.35633       -2.08228        2.20933
H          1.07524       -0.90617        1.83163
H          1.21497       -1.55403        3.48181
Cl         0.03051        0.13493       -3.18114
133
Complex 5a
Ir         0.01296        0.04794       -0.69726
P         -1.52091       -1.38836        0.11441
P          1.53772        1.45596        0.16691
N          1.17101       -1.74305       -0.64987
N         -1.13965        1.84087       -0.61710
C         -0.62853       -2.72927        0.61484
H         -0.99601       -3.54895        1.23232
C          0.70967       -2.78701        0.08969
C          1.51804       -3.93930        0.31741
H          1.11914       -4.73541        0.94897
C          2.75697       -4.03865       -0.25687
H          3.38515       -4.91799       -0.08830
C          3.22083       -3.00163       -1.10991
C          4.45988       -3.08286       -1.79325
H          5.08479       -3.96633       -1.63638
C          4.86199       -2.07806       -2.64984
H          5.81825       -2.14756       -3.17453
C          4.02659       -0.95550       -2.84654
H          4.34257       -0.16091       -3.52790
C          2.82140       -0.84185       -2.18220
H          2.18046        0.02652       -2.33499
C          2.38434       -1.85462       -1.29716
C         -3.27518       -1.24180        0.56622
C         -4.23987       -1.69018       -0.40367
C         -5.53118       -1.16857       -0.30693
H         -6.27574       -1.47397       -1.03552
C         -5.93270       -0.27544        0.69192
C         -5.00693        0.02497        1.68825
H         -5.32910        0.64796        2.51391
C         -3.68430       -0.44236        1.67897
C         -3.99808       -2.83526       -1.43510
C         -2.90646       -2.55009       -2.48918
H         -2.77343       -3.44231       -3.12490
H         -1.91810       -2.31693       -2.06357
H         -3.19955       -1.71370       -3.14379
C         -3.65035       -4.11689       -0.64124
H         -4.44234       -4.34247        0.09330
H         -2.69921       -4.02474       -0.09965
H         -3.56355       -4.97678       -1.32881
C         -5.27127       -3.15890       -2.24702
H         -5.60889       -2.30164       -2.85407
H         -6.10596       -3.48667       -1.60623
H         -5.04910       -3.98565       -2.94216
C         -7.36620        0.27178        0.69753
C         -8.35634       -0.90682        0.83107
H         -8.17689       -1.46798        1.76482
H         -8.27128       -1.61420       -0.01141
H         -9.39512       -0.53216        0.85001
C         -7.61308        1.24787        1.85968
H         -8.64436        1.63637        1.80566
H         -6.92833        2.11305        1.81973
H         -7.49692        0.75864        2.84203
C         -7.62789        1.02140       -0.62631
H         -7.48784        0.36885       -1.50499
H         -6.94127        1.87836       -0.73131
H         -8.66483        1.40073       -0.65113
C         -2.80374       -0.12565        2.92159
C         -3.63542        0.47026        4.07897
H         -2.97814        0.60093        4.95497
H         -4.46473       -0.19156        4.38039
H         -4.04810        1.46338        3.83596
C         -1.70958        0.90738        2.59833
H         -1.11009        1.12081        3.50066
H         -2.16092        1.85156        2.25184
H         -1.01518        0.56331        1.82093
C         -2.17554       -1.42553        3.47127
H         -1.43760       -1.86113        2.78585
H         -2.95395       -2.18226        3.67144
H         -1.65206       -1.21426        4.42014
C          0.65133        2.79333        0.68586
H          1.01704        3.59853        1.32311
C         -0.68132        2.86776        0.14784
C         -1.48852        4.01696        0.39359
H         -1.09134        4.80001        1.04230
C         -2.72578        4.12830       -0.18221
H         -3.35360        5.00488        0.00163
C         -3.18826        3.10842       -1.05648
C         -4.42578        3.20271       -1.74121
H         -5.05556        4.07900       -1.56319
C         -4.82114        2.21897       -2.62469
H         -5.77512        2.29849       -3.15126
C         -3.98469        1.10114       -2.84272
H         -4.29680        0.32247       -3.54402
C         -2.78312        0.97277       -2.17475
H         -2.14097        0.10854       -2.34428
C         -2.35009        1.96666       -1.26660
C          3.28285        1.25509        0.62277
C          4.25685        1.68263       -0.33988
C          5.51615        1.07260       -0.29421
H          6.25700        1.35434       -1.03303
C          5.87068        0.11688        0.65807
C          4.94960       -0.14344        1.67612
H          5.25763       -0.80452        2.48061
C          3.66269        0.40124        1.70952
C          4.06415        2.88015       -1.31974
C          3.75263        4.13557       -0.47073
H          4.54602        4.30198        0.27795
H          2.79528        4.05017        0.06127
H          3.69851        5.02789       -1.11913
C          5.35601        3.19507       -2.10458
H          5.66059        2.36248       -2.76124
H          6.19915        3.44469       -1.43993
H          5.17580        4.07121       -2.74967
C          2.97127        2.68049       -2.39246
H          2.87107        3.60572       -2.98569
H          1.97360        2.45861       -1.98261
H          3.24142        1.86732       -3.08515
C          7.24165       -0.57107        0.66912
C          7.05695       -2.09531        0.83176
H          8.03894       -2.59984        0.81568
H          6.44266       -2.50389        0.01160
H          6.56837       -2.35620        1.78556
C          8.02488       -0.31925       -0.63059
H          8.27963        0.74603       -0.76321
H          7.45578       -0.65305       -1.51615
H          8.97464       -0.88028       -0.60778
C          8.06086       -0.02114        1.85815
H          9.05525       -0.50101        1.89407
H          7.55682       -0.21322        2.82107
H          8.20830        1.06899        1.76435
C          2.78349        0.11116        2.95812
C          3.60687       -0.52287        4.10075
H          4.47078        0.10079        4.38631
H          3.96996       -1.53325        3.84979
H          2.96057       -0.62558        4.98857
C          2.20870        1.42946        3.52162
H          1.68621        1.23128        4.47384
H          1.48070        1.89544        2.84529
H          3.01550        2.15658        3.71897
C          1.64707       -0.87678        2.63895
H          2.05830       -1.83584        2.28378
H          0.96078       -0.50137        1.86846
H          1.04763       -1.07147        3.54540
144
Complex 6
Ir        -0.00015        0.49176        0.00066
P          1.45908       -0.50275       -1.37715
P         -1.45932       -0.50543        1.37648
N         -1.20837        0.38383       -1.76977
N          1.20806        0.38039        1.77081
N          0.00014        2.71009        0.00240
C          0.59448       -0.86610       -2.79035
H          0.95949       -1.45353       -3.63180
C         -0.72509       -0.33276       -2.83192
C         -1.52796       -0.55148       -3.99743
H         -1.10343       -1.15189       -4.80421
C         -2.77883       -0.01842       -4.09181
H         -3.39575       -0.18078       -4.98024
C         -3.28534        0.77714       -3.02433
C         -4.55707        1.39339       -3.09917
H         -5.15705        1.23617       -3.99996
C         -5.03079        2.17757       -2.06478
H         -6.01426        2.64966       -2.13036
C         -4.22986        2.35560       -0.91939
H         -4.59811        2.96403       -0.08876
C         -2.98524        1.76158       -0.81959
H         -2.38479        1.90285        0.07199
C         -2.46942        0.95917       -1.86206
C          3.22155       -0.94836       -1.26560
C          3.62606       -2.03220       -0.42070
C          4.93465       -2.01633        0.07093
H          5.25489       -2.82008        0.72746
C          5.86015       -1.01807       -0.23904
C          5.47605       -0.06584       -1.18311
H          6.21555        0.65983       -1.49938
C          4.19131        0.00023       -1.73612
C          2.74229       -3.26172       -0.07007
C          1.73890       -2.93268        1.05181
H          1.01006       -2.16942        0.75032
H          2.26628       -2.56590        1.94821
H          1.17488       -3.83982        1.33054
C          2.00013       -3.77328       -1.32314
H          1.25177       -3.06222       -1.69714
H          1.46249       -4.70689       -1.08226
H          2.71109       -3.98749       -2.14027
C          3.59796       -4.44654        0.43285
H          2.94736       -5.32925        0.55163
H          4.05415       -4.25243        1.41753
H          4.39838       -4.71135       -0.27889
C          7.26179       -1.04925        0.38384
H          6.65360       -2.13570        2.20956
C          8.05790        0.23163        0.08128
H          7.52409        1.13180        0.43346
H          8.26244        0.34935       -0.99658
C          7.14688       -1.19368        1.91673
H          6.56693       -0.35924        2.34580
C          8.03147       -2.25916       -0.19141
H          9.04630       -2.31100        0.24222
H          8.12968       -2.17830       -1.28816
H          7.51777       -3.20981        0.03322
C          3.97213        0.99472       -2.91760
C          2.87489        2.05708       -2.68822
H          3.16073        2.75740       -1.88618
H          1.89591        1.62955       -2.43186
H          2.74036        2.64636       -3.61193
C          3.64881        0.15764       -4.17735
H          3.56486        0.81536       -5.06093
H          2.70482       -0.39262       -4.07604
H          4.45230       -0.57408       -4.36862
C          5.24989        1.79705       -3.24796
H          5.04054        2.46129       -4.10330
H          6.09119        1.14694       -3.53782
H          5.57310        2.43551       -2.40807
C         -0.59488       -0.87120        2.78916
H         -0.95994       -1.46014        3.62954
C          0.72469       -0.33804        2.83170
C          1.52756       -0.55895        3.99681
H          1.10288       -1.16061        4.80258
C          2.77859       -0.02644        4.09204
H          3.39552       -0.19052        4.98013
C          3.28526        0.77083        3.02590
C          4.55721        1.38650        3.10174
H          5.15721        1.22745        4.00219
C          5.03112        2.17240        2.06873
H          6.01478        2.64399        2.13504
C          4.23012        2.35279        0.92377
H          4.59848        2.96258        0.09419
C          2.98526        1.75941        0.82302
H          2.38484        1.90257       -0.06826
C          2.46929        0.95524        1.86405
C         -3.22180       -0.95070        1.26388
C         -3.62631       -2.03307        0.41711
C         -4.93490       -2.01632       -0.07452
H         -5.25520       -2.81900       -0.73232
C         -5.86028       -1.01840        0.23690
C         -5.47617       -0.06776        1.18256
H         -6.21559        0.65752        1.49994
C         -4.19153       -0.00284        1.73596
C         -2.74252       -3.26196        0.06437
C         -3.59810       -4.44588       -0.44081
H         -4.05406       -4.25005       -1.42525
H         -4.39867       -4.71192        0.27030
H         -2.94748       -5.32839       -0.56100
C         -2.00047       -3.77575        1.31658
H         -1.46275       -4.70889        1.07408
H         -2.71149       -3.99148        2.13326
H         -1.25220       -3.06531        1.69193
C         -1.73901       -2.93083       -1.05679
H         -1.01031       -2.16798       -0.75389
H         -2.26632       -2.56258       -1.95263
H         -1.17483       -3.83741       -1.33704
C         -7.26176       -1.04831       -0.38637
C         -8.03167       -2.25930        0.18627
H         -9.04634       -2.31031       -0.24783
H         -8.13027       -2.18053        1.28314
H         -7.51793       -3.20955       -0.03995
C         -7.14636       -1.18967       -1.91950
H         -6.65312       -2.13117       -2.21406
H         -6.56615       -0.35443       -2.34665
H         -8.15129       -1.18673       -2.37724
C         -8.05790        0.23199       -0.08152
H         -9.03336        0.19554       -0.59595
H         -7.52403        1.13280       -0.43196
H         -8.26261        0.34775        0.99652
C         -3.97240        0.98943        2.91933
C         -3.64950        0.14993        4.17754
H         -2.70573       -0.40053        4.07534
H         -4.45327       -0.58183        4.36740
H         -3.56538        0.80599        5.06234
C         -2.87502        2.05215        2.69215
H         -2.74056        2.63958        3.61705
H         -3.16078        2.75407        1.89152
H         -1.89601        1.62509        2.43503
C         -5.25012        1.79130        3.25098
H         -6.09149        1.14077        3.53970
H         -5.57323        2.43119        2.41213
H         -5.04078        2.45409        4.10744
C          0.11613        3.39355        1.15559
H          0.21063        2.79717        2.06428
C          0.11968        4.78510        1.19876
H          0.21409        5.29411        2.16083
C          0.00209        5.50001        0.00434
H          0.00290        6.59348        0.00508
C         -0.11661        4.78692       -1.19107
H         -0.21035        5.29739       -2.15243
C         -0.11503        3.39531       -1.14981
H         -0.21047        2.80028       -2.05929
H          8.15195       -1.19182        2.37413
H          9.03340        0.19424        0.59556
152
Complex 7
Ir         0.00001        0.17995       -0.00013
P          1.46029       -0.80723       -1.37773
P         -1.46037       -0.80669        1.37797
N         -1.20434        0.07981       -1.77318
N          1.20440        0.08038        1.77295
N         -0.00027        2.38429       -0.00010
C          0.59977       -1.16456       -2.79736
H          0.96548       -1.75185       -3.63857
C         -0.71898       -0.63266       -2.83794
C         -1.52292       -0.84974       -4.00383
H         -1.09754       -1.44729       -4.81235
C         -2.77556       -0.32141       -4.09496
H         -3.39381       -0.48476       -4.98233
C         -3.28296        0.47150       -3.02522
C         -4.55677        1.08335       -3.09706
H         -5.15849        0.92354       -3.99631
C         -5.03075        1.86631       -2.06161
H         -6.01641        2.33432       -2.12463
C         -4.22633        2.04923       -0.91959
H         -4.59302        2.65896       -0.08917
C         -2.97934        1.45960       -0.82264
H         -2.37338        1.60883        0.06381
C         -2.46519        0.65549       -1.86473
C          3.22416       -1.25125       -1.26632
C          3.62934       -2.33246       -0.41886
C          4.93839       -2.31583        0.07220
H          5.25797       -3.11757        0.73158
C          5.86398       -1.31908       -0.24084
C          5.47911       -0.36846       -1.18622
H          6.21818        0.35706       -1.50372
C          4.19399       -0.30338       -1.73836
C          2.74534       -3.55848       -0.05661
C          1.76973       -3.22577        1.08874
H          1.03752       -2.46023        0.80175
H          2.31878       -2.85938        1.97230
H          1.20970       -4.13105        1.38155
C          1.97035       -4.06166       -1.29261
H          1.21421       -3.34746       -1.64402
H          1.43602       -4.99465       -1.04215
H          2.65911       -4.27403       -2.12911
C          3.60550       -4.75061        0.42177
H          2.95417       -5.63232        0.54394
H          4.07873       -4.56716        1.40037
H          4.39332       -5.01106       -0.30561
C          7.26627       -1.34953        0.38084
H          6.66004       -2.43233        2.20914
C          8.06240       -0.06940        0.07523
H          7.52885        0.83134        0.42629
H          8.26572        0.04640       -1.00309
C          7.15304       -1.49088        1.91411
H          6.57310       -0.65582        2.34186
C          8.03530       -2.56052       -0.19280
H          9.05054       -2.61215        0.24006
H          8.13248       -2.48160       -1.28981
H          7.52126       -3.51053        0.03372
C          3.97385        0.69124       -2.91957
C          2.87525        1.75190       -2.68980
H          3.15905        2.45200       -1.88700
H          1.89691        1.32360       -2.43362
H          2.73994        2.34157       -3.61326
C          3.65224       -0.14576       -4.17973
H          3.56678        0.51227       -5.06302
H          2.70924       -0.69754       -4.07832
H          4.45712       -0.87592       -4.37142
C          5.25061        1.49538       -3.24947
H          5.04001        2.15994       -4.10435
H          6.09300        0.84687       -3.53992
H          5.57285        2.13359       -2.40897
C         -0.59970       -1.16369        2.79756
H         -0.96534       -1.75071        3.63899
C          0.71910       -0.63180        2.83791
C          1.52311       -0.84859        4.00380
H          1.09778       -1.44593        4.81250
C          2.77577       -0.32027        4.09469
H          3.39409       -0.48343        4.98206
C          3.28309        0.47241        3.02475
C          4.55688        1.08432        3.09637
H          5.15870        0.92471        3.99558
C          5.03072        1.86712        2.06072
H          6.01637        2.33518        2.12356
C          4.22618        2.04982        0.91875
H          4.59277        2.65942        0.08819
C          2.97922        1.46010        0.82201
H          2.37315        1.60912       -0.06441
C          2.46522        0.65613        1.86429
C         -3.22423       -1.25086        1.26673
C         -3.62935       -2.33228        0.41952
C         -4.93837       -2.31574       -0.07165
H         -5.25790       -3.11762       -0.73087
C         -5.86399       -1.31892        0.24110
C         -5.47919       -0.36811        1.18632
H         -6.21829        0.35748        1.50362
C         -4.19411       -0.30290        1.73851
C         -2.74536       -3.55840        0.05762
C         -3.60555       -4.75066       -0.42036
H         -4.07874       -4.56753       -1.39905
H         -4.39339       -5.01085        0.30708
H         -2.95423       -5.63244       -0.54222
C         -1.97035       -4.06122        1.29376
H         -1.43608       -4.99432        1.04358
H         -2.65908       -4.27327        2.13037
H         -1.21415       -3.34694        1.64490
C         -1.76977       -3.22604       -1.08784
H         -1.03753       -2.46045       -0.80108
H         -2.31883       -2.85986       -1.97148
H         -1.20978       -4.13142       -1.38041
C         -7.26622       -1.34948       -0.38071
C         -8.03537       -2.56026        0.19322
H         -9.05052       -2.61204       -0.23982
H         -8.13276       -2.48096        1.29018
H         -7.52128       -3.51035       -0.03286
C         -7.15284       -1.49131       -1.91392
H         -6.66000       -2.43295       -2.20862
H         -6.57268       -0.65649       -2.34185
H         -8.15836       -1.48843       -2.37053
C         -8.06232       -0.06922       -0.07554
H         -9.03837       -0.10601       -0.58897
H         -7.52870        0.83140       -0.42682
H         -8.26573        0.04690        1.00272
C         -3.97401        0.69202        2.91945
C         -3.65221       -0.14461        4.17981
H         -2.70915       -0.69630        4.07852
H         -4.45699       -0.87481        4.37174
H         -3.56679        0.51368        5.06293
C         -2.87552        1.75270        2.68927
H         -2.74015        2.34269        3.61252
H         -3.15943        2.45251        1.88626
H         -1.89718        1.32438        2.43313
C         -5.25081        1.49613        3.24924
H         -6.09310        0.84760        3.53997
H         -5.57321        2.13404        2.40857
H         -5.04020        2.16097        4.10389
C          0.10553        3.08599        1.14590
H          0.19476        2.50164        2.06313
C          0.10783        4.46708        1.19784
H          0.19517        4.94582        2.17190
C         -0.00001        5.22558       -0.00018
C         -0.10794        4.46703       -1.19815
H         -0.19514        4.94573       -2.17225
C         -0.10591        3.08595       -1.14613
H         -0.19523        2.50156       -2.06334
H          8.15861       -1.48808        2.37061
H          9.03851       -0.10609        0.58857
N          0.00007        6.58463       -0.00021
C         -0.11725        7.31257       -1.25434
H         -1.06336        7.07465       -1.77533
H         -0.10419        8.39205       -1.05034
H          0.72179        7.08380       -1.93780
C          0.11790        7.31262        1.25385
H         -0.72092        7.08391        1.93759
H          1.06417        7.07466        1.77456
H          0.10483        8.39209        1.04982
133
Complex 8
Ir         1.13552       -0.49102       -0.10009
P          0.71184        1.46827       -1.21305
P         -0.54175       -0.66477        1.36894
N          2.81628       -0.44252       -1.58050
N          2.27644        0.05592        1.84988
C          1.63033        1.38972       -2.62626
H          1.49355        2.02784       -3.49996
C          2.67218        0.39760       -2.64102
C          3.55672        0.31847       -3.76156
H          3.37605        0.97580       -4.61445
C          4.60126       -0.56472       -3.75302
H          5.27421       -0.64687       -4.61151
C          4.84938       -1.35100       -2.59386
C          5.98465       -2.19244       -2.48372
H          6.65774       -2.27704       -3.34176
C          6.25037       -2.86931       -1.31029
H          7.13208       -3.51010       -1.22807
C          5.38464       -2.71037       -0.20430
H          5.61256       -3.21606        0.73825
C          4.25305       -1.92223       -0.29298
H          3.60747       -1.79288        0.57211
C          3.93797       -1.23689       -1.49459
C         -0.78661        2.50502       -1.23275
C         -0.78815        3.64665       -0.35303
C         -2.00797        4.26929       -0.09047
H         -2.02473        5.14641        0.54835
C         -3.22911        3.80699       -0.59095
C         -3.18716        2.71728       -1.45157
H         -4.12527        2.35601       -1.85598
C         -2.00533        2.05488       -1.83571
C          0.46906        4.22910        0.36133
C          0.86214        3.31805        1.54804
H          1.75222        3.72372        2.06092
H          1.09976        2.29137        1.23693
H          0.03609        3.26996        2.27944
C          1.65856        4.41693       -0.60546
H          1.35816        5.01174       -1.48579
H          2.08342        3.46975       -0.96685
H          2.47533        4.95109       -0.09032
C          0.19746        5.62954        0.95653
H         -0.54049        5.60920        1.77476
H         -0.14672        6.34445        0.18994
H          1.13524        6.02201        1.38373
C         -4.53263        4.52753       -0.22187
C         -4.63980        4.66808        1.31204
H         -4.63532        3.67798        1.80059
H         -5.58143        5.17737        1.58162
H         -3.81192        5.26068        1.73606
C         -4.51182        5.93232       -0.86537
H         -3.65727        6.53130       -0.50606
H         -5.43798        6.48125       -0.61830
H         -4.43707        5.86045       -1.96446
C         -5.77542        3.77373       -0.72422
H         -5.80414        3.71045       -1.82539
H         -6.68770        4.30474       -0.40337
H         -5.82326        2.74880       -0.31594
C         -2.25920        0.86418       -2.82250
C         -3.35610        1.26043       -3.84984
H         -3.10394        2.20647       -4.35969
H         -4.35842        1.36521       -3.40746
H         -3.43669        0.47169       -4.61578
C         -2.76472       -0.34520       -2.00607
H         -3.00088       -1.18965       -2.67769
H         -3.67878       -0.10033       -1.44057
H         -2.00593       -0.69426       -1.29015
C         -1.06993        0.39549       -3.68054
H         -0.30455       -0.13744       -3.10646
H         -0.59615        1.23227       -4.21813
H         -1.44639       -0.31454       -4.43590
C          0.34875       -0.98877        2.96756
H         -0.23930       -0.64616        3.83318
H          0.43619       -2.08474        3.06284
C          1.71528       -0.34829        2.99104
C          2.35533       -0.18597        4.24696
H          1.85583       -0.54978        5.14752
C          3.59004        0.41264        4.31171
H          4.10967        0.52920        5.26725
C          4.18204        0.91489        3.12704
C          5.42290        1.60615        3.13495
H          5.95359        1.71931        4.08450
C          5.93689        2.13683        1.97127
H          6.88979        2.67240        1.98180
C          5.21532        2.00134        0.76103
H          5.60998        2.44544       -0.15697
C          4.01638        1.31906        0.72097
H          3.46387        1.22852       -0.20814
C          3.47406        0.73963        1.89394
C         -1.68568       -2.00226        1.04312
C         -3.00362       -1.63341        1.38618
C         -4.04793       -2.49766        1.08753
H         -5.07094       -2.21785        1.34557
C         -3.80026       -3.72163        0.43404
C         -2.47934       -4.03617        0.08844
H         -2.28738       -4.96750       -0.44011
C         -1.38825       -3.19047        0.36346
C         -3.15477       -0.27135        2.07856
C         -1.88237        0.55221        1.70015
H         -1.59492        1.28363        2.47146
H         -2.04946        1.10972        0.76396
C         -3.23496       -0.49200        3.60469
H         -3.28710        0.47363        4.13900
H         -2.36747       -1.05737        3.98412
H         -4.13690       -1.07422        3.85872
C         -4.40739        0.48892        1.61756
H         -4.41429        0.62388        0.52362
H         -4.43747        1.48872        2.08364
H         -5.33033       -0.04038        1.90924
C         -4.98056       -4.64336        0.09276
C         -4.53319       -5.93840       -0.60496
H         -3.84682       -6.52897        0.02613
H         -4.03311       -5.73638       -1.56791
H         -5.41398       -6.56837       -0.81642
C         -5.72092       -5.02467        1.39359
H         -6.57493       -5.68697        1.16628
H         -6.11642       -4.13902        1.91936
H         -5.04812       -5.55891        2.08730
C         -5.94386       -3.89074       -0.85243
H         -6.79841       -4.53673       -1.12127
H         -5.42923       -3.59621       -1.78427
H         -6.34901       -2.97668       -0.38584
C          0.01262       -3.57079       -0.15380
C          1.18488       -2.63417        0.24378
H          2.04564       -2.98202       -0.34433
H          1.45332       -2.81194        1.30153
C         -0.06162       -3.66476       -1.69653
H         -0.76783       -4.44633       -2.02191
H          0.93227       -3.91125       -2.10993
H         -0.38764       -2.71077       -2.14237
C          0.38148       -4.96948        0.40468
H         -0.33300       -5.74751        0.08711
H          0.40113       -4.95936        1.50878
H          1.38227       -5.26807        0.04677
H          0.26579       -1.03633       -1.29939
135
Complex 9
Ir         0.01329        0.06003       -0.81329
P         -1.53490       -1.27796        0.24224
P          1.54210        1.32201        0.35082
N          1.14430       -1.76904       -0.71227
N         -1.11698        1.88054       -0.61158
C         -0.73968       -2.75039        0.45844
H         -1.15481       -3.62054        0.96547
C          0.59181       -2.82875       -0.05173
C          1.32595       -4.03868        0.15148
H          0.83532       -4.84989        0.69210
C          2.60285       -4.16261       -0.31046
H          3.17453       -5.08098       -0.15014
C          3.19539       -3.08574       -1.02479
C          4.50391       -3.18874       -1.55519
H          5.05950       -4.11535       -1.38655
C          5.06398       -2.15125       -2.27347
H          6.07345       -2.23872       -2.68264
C          4.31257       -0.97706       -2.47727
H          4.74300       -0.14811       -3.04517
C          3.03359       -0.84927       -1.96832
H          2.47983        0.06622       -2.13911
C          2.43168       -1.88881       -1.22389
C         -3.30795       -1.19036        0.64716
C         -4.28155       -1.65807       -0.30618
C         -5.58776       -1.18459       -0.16061
H         -6.34189       -1.50475       -0.87205
C         -5.99826       -0.32691        0.86434
C         -5.05257        0.01205        1.82790
H         -5.37130        0.61972        2.66607
C         -3.71352       -0.39907        1.76849
C         -4.04918       -2.76302       -1.38418
C         -2.93737       -2.46629       -2.41398
H         -2.80268       -3.34820       -3.06336
H         -1.95695       -2.24654       -1.97256
H         -3.21679       -1.62130       -3.06467
C         -3.75468       -4.08456       -0.63638
H         -4.57446       -4.32090        0.06343
H         -2.82197       -4.03692       -0.06129
H         -3.66613       -4.91733       -1.35653
C         -5.31458       -3.02472       -2.23263
H         -5.64126       -2.12634       -2.78393
H         -6.16000       -3.39477       -1.63059
H         -5.08462       -3.80257       -2.97955
C         -7.45726        0.14405        0.92967
C         -8.37963       -1.08877        1.05948
H         -8.13881       -1.66681        1.96881
H         -8.28811       -1.76566        0.19302
H         -9.43499       -0.76998        1.12475
C         -7.71701        1.07291        2.12721
H         -8.77000        1.40231        2.12000
H         -7.08527        1.97750        2.08849
H         -7.53728        0.56488        3.09028
C         -7.80142        0.91513       -0.36237
H         -7.64875        0.29845       -1.26468
H         -7.17126        1.81548       -0.45699
H         -8.85921        1.23219       -0.34709
C         -2.80047       -0.01206        2.96911
C         -3.62776        0.47337        4.18119
H         -2.94637        0.63310        5.03352
H         -4.38444       -0.26698        4.49118
H         -4.13331        1.43452        3.99221
C         -1.84713        1.14175        2.59952
H         -1.27829        1.45964        3.49085
H         -2.41317        2.01095        2.22449
H         -1.11808        0.85141        1.83241
C         -1.99793       -1.23342        3.46766
H         -1.25563       -1.58823        2.73960
H         -2.67137       -2.07436        3.70884
H         -1.44192       -0.96504        4.38282
C          0.75230        2.78434        0.64207
H          1.16316        3.62225        1.20384
C         -0.57142        2.89738        0.11848
C         -1.30564        4.09544        0.38253
H         -0.82054        4.87220        0.97615
C         -2.57583        4.25000       -0.08852
H         -3.14711        5.15961        0.11696
C         -3.16181        3.21791       -0.87121
C         -4.46254        3.35575       -1.41350
H         -5.01742        4.27423       -1.20245
C         -5.01439        2.36345       -2.19866
H         -6.01443        2.47996       -2.62207
C         -4.26581        1.19720       -2.45398
H         -4.69147        0.40266       -3.07258
C         -2.99426        1.03690       -1.93625
H         -2.43997        0.13143       -2.15154
C         -2.39836        2.03246       -1.12920
C          3.30917        1.17754        0.75512
C          4.29147        1.67509       -0.16660
C          5.57332        1.11444       -0.09696
H          6.32409        1.45021       -0.80152
C          5.94344        0.14220        0.83160
C          5.00027       -0.20584        1.80066
H          5.30723       -0.89168        2.58450
C          3.69139        0.28289        1.80899
C          4.09586        2.87652       -1.14194
C          3.81893        4.13204       -0.28231
H          4.64176        4.29515        0.43466
H          2.88641        4.04751        0.28851
H          3.74233        5.02555       -0.92702
C          5.37684        3.18686       -1.94896
H          5.67963        2.34541       -2.59532
H          6.22785        3.45813       -1.30356
H          5.17948        4.04961       -2.60674
C          2.99016        2.69043       -2.20438
H          2.88167        3.62503       -2.78099
H          2.00060        2.45540       -1.79167
H          3.25972        1.89501       -2.91887
C          7.34757       -0.47441        0.86902
C          7.24154       -2.01124        0.97292
H          8.25000       -2.46070        0.97402
H          6.67731       -2.42455        0.11989
H          6.73798       -2.33219        1.90023
C          8.16328       -0.13327       -0.38967
H          8.36426        0.94820       -0.47519
H          7.64773       -0.46342       -1.30875
H          9.14073       -0.64335       -0.34958
C          8.09203        0.07497        2.10673
H          9.10871       -0.35321        2.16469
H          7.56373       -0.17766        3.04227
H          8.18409        1.17399        2.05559
C          2.77873       -0.13638        2.99760
C          3.60951       -0.69066        4.17750
H          4.39482        0.01476        4.49808
H          4.08142       -1.65948        3.94578
H          2.93857       -0.86074        5.03610
C          2.00164        1.07469        3.55686
H          1.45428        0.77665        4.46797
H          1.25348        1.46791        2.85454
H          2.68933        1.89659        3.82221
C          1.79974       -1.25236        2.58187
H          2.34583       -2.11388        2.16243
H          1.07310       -0.91010        1.83345
H          1.22976       -1.60025        3.46113
C          0.02716        0.12601       -2.72695
O          0.03515        0.16817       -3.87385
137
Complex 10
Ir         0.01508        0.08337       -0.71728
P         -1.53643       -1.29030        0.13699
P          1.56423        1.38634        0.23204
N          1.13126       -1.75428       -0.71709
N         -1.08546        1.93671       -0.64115
C         -0.74555       -2.78548        0.40296
H         -1.15909       -3.63744        0.94076
C          0.57872       -2.84277       -0.07803
C          1.33851       -4.04569        0.11902
H          0.85831       -4.86245        0.66248
C          2.60719       -4.15898       -0.35430
H          3.19130       -5.07179       -0.20357
C          3.18186       -3.07183       -1.08126
C          4.47561       -3.16785       -1.64012
H          5.03498       -4.09640       -1.48948
C          5.02503       -2.12302       -2.36251
H          6.02639       -2.20804       -2.79341
C          4.26966       -0.94966       -2.53453
H          4.68674       -0.11236       -3.10103
C          3.00032       -0.82968       -1.99462
H          2.43358        0.08196       -2.13751
C          2.40988       -1.87597       -1.25003
C         -3.31658       -1.21694        0.56527
C         -4.29563       -1.70180       -0.37227
C         -5.61088       -1.25717       -0.21531
H         -6.36719       -1.59423       -0.91689
C         -6.02136       -0.38772        0.79879
C         -5.06996       -0.01841        1.74256
H         -5.38210        0.61242        2.56628
C         -3.72658       -0.42214        1.67992
C         -4.04536       -2.77811       -1.47665
C         -2.96322       -2.41388       -2.51780
H         -2.82120       -3.26748       -3.20360
H         -1.98251       -2.18152       -2.08199
H         -3.27689       -1.54928       -3.12580
C         -3.68584       -4.10738       -0.77409
H         -4.47068       -4.38446       -0.04848
H         -2.72949       -4.04209       -0.24233
H         -3.60179       -4.91942       -1.51919
C         -5.31696       -3.06583       -2.30754
H         -5.68228       -2.16917       -2.83728
H         -6.14002       -3.47276       -1.69703
H         -5.07404       -3.82292       -3.07223
C         -7.48520        0.07063        0.86733
C         -8.39375       -1.16420        1.05569
H         -8.13778       -1.70119        1.98616
H         -8.29560       -1.87581        0.21814
H         -9.45402       -0.85737        1.11467
C         -7.73845        1.04007        2.03380
H         -8.79512        1.36030        2.02942
H         -7.11329        1.94610        1.95250
H         -7.53846        0.56912        3.01174
C         -7.85870        0.79209       -0.44478
H         -7.72305        0.14064       -1.32494
H         -7.22757        1.68467       -0.58945
H         -8.91694        1.11038       -0.42040
C         -2.81627        0.01018        2.86905
C         -3.65824        0.39841        4.10835
H         -2.97713        0.56431        4.96024
H         -4.36919       -0.39671        4.39297
H         -4.22033        1.33599        3.96514
C         -1.96988        1.24810        2.50488
H         -1.43323        1.61205        3.39931
H         -2.61024        2.06530        2.13060
H         -1.22348        1.02114        1.73400
C         -1.90276       -1.14389        3.33303
H         -1.14877       -1.42226        2.58586
H         -2.49644       -2.04389        3.57407
H         -1.35370       -0.83874        4.24147
C          0.81256        2.89637        0.51671
H          1.23987        3.72963        1.07256
C         -0.50482        2.99659        0.02122
C         -1.22543        4.22144        0.23255
H         -0.71589        5.01812        0.77897
C         -2.49224        4.37934       -0.23141
H         -3.04451        5.31056       -0.07337
C         -3.11179        3.30958       -0.94637
C         -4.41787        3.44160       -1.47008
H         -4.94342        4.38876       -1.31287
C         -5.02042        2.40859       -2.16532
H         -6.02682        2.52329       -2.57558
C         -4.31210        1.20500       -2.33479
H         -4.77511        0.36993       -2.86749
C         -3.03053        1.05427       -1.83430
H         -2.50086        0.12064       -1.97481
C         -2.37847        2.09252       -1.13130
C          3.32767        1.20366        0.68169
C          4.34395        1.65079       -0.22699
C          5.60486        1.04767       -0.13802
H          6.37315        1.34184       -0.84258
C          5.92358        0.06891        0.80252
C          4.95717       -0.22904        1.76233
H          5.22079       -0.92858        2.55067
C          3.66895        0.31788        1.75313
C          4.19592        2.84353       -1.22072
C          3.93307        4.11665       -0.38344
H          4.74190        4.26610        0.35318
H          2.98189        4.05945        0.15878
H          3.89542        5.00431       -1.04093
C          5.49765        3.11088       -2.00910
H          5.78724        2.25425       -2.64156
H          6.34588        3.36318       -1.35129
H          5.33433        3.97260       -2.67854
C          3.09941        2.67390       -2.29545
H          3.02325        3.60457       -2.88487
H          2.10286        2.46839       -1.88335
H          3.35433        1.85955       -2.99292
C          7.29684       -0.61521        0.85572
C          7.11432       -2.14480        0.95813
H          8.09895       -2.64649        0.96409
H          6.53011       -2.52544        0.10382
H          6.58836       -2.43733        1.88241
C          8.13984       -0.31821       -0.39628
H          8.38908        0.75323       -0.48394
H          7.61471       -0.62739       -1.31660
H          9.09278       -0.87351       -0.34523
C          8.05952       -0.10363        2.09758
H          9.05268       -0.58431        2.16832
H          7.50773       -0.32372        3.02784
H          8.20801        0.98946        2.04442
C          2.73710       -0.06953        2.93863
C          3.56738       -0.48705        4.17702
H          4.32285        0.27312        4.44236
H          4.07868       -1.45419        4.04168
H          2.88771       -0.60727        5.03774
C          1.86232        1.11443        3.40132
H          1.32002        0.83400        4.32164
H          1.10241        1.40176        2.66291
H          2.48065        2.00288        3.62194
C          1.84485       -1.27109        2.56595
H          2.45481       -2.11337        2.19723
H          1.11974       -1.00887        1.78514
H          1.28216       -1.61304        3.45295
C          0.05312        0.15469       -2.85293
H          0.45302       -0.79449       -3.24605
H         -0.95626        0.32221       -3.25908
H          0.69669        0.98734       -3.18470
133
Complex Int1
P         -1.78471       -0.38290        1.09796
P          1.84786        1.62984       -0.11199
N          0.80053       -1.49648        0.33561
N         -0.84343        2.33912       -0.44232
C         -3.42855       -1.03299        0.57448
C         -3.79581       -1.88171       -0.51172
C         -5.15647       -1.92515       -0.83714
H         -5.46794       -2.54160       -1.67578
C         -6.16014       -1.21734       -0.15264
C         -5.77239       -0.45086        0.94581
H         -6.51461        0.09465        1.52541
C         -4.42712       -0.34578        1.30168
C         -2.81298       -2.77160       -1.31138
C         -3.53710       -3.70765       -2.30078
H         -4.06337       -3.15209       -3.09479
H         -4.26175       -4.36695       -1.79407
H         -2.79060       -4.35211       -2.79522
C         -2.04651       -3.67815       -0.33063
H         -1.33582       -4.32444       -0.87502
H         -2.74295       -4.32439        0.23097
H         -1.46806       -3.09948        0.39664
C         -1.82989       -1.92877       -2.14899
H         -1.22305       -1.23778       -1.53570
H         -2.37025       -1.32806       -2.90007
H         -1.12418       -2.58829       -2.68390
C         -7.61267       -1.29842       -0.64035
C         -8.07193       -2.77268       -0.66203
H         -7.46102       -3.38812       -1.34387
H         -9.12027       -2.83983       -1.00245
H         -8.00975       -3.21886        0.34603
C         -7.68783       -0.70940       -2.06706
H         -7.37409        0.35003       -2.07118
H         -8.72277       -0.75937       -2.44935
H         -7.04193       -1.25843       -2.77350
C         -8.57195       -0.50529        0.26209
H         -8.56980       -0.88702        1.29769
H         -9.60253       -0.59314       -0.12198
H         -8.31886        0.56879        0.28786
C         -3.97584        0.49121        2.50304
C         -4.81543        1.76474        2.69289
H         -5.84763        1.53392        3.00620
H         -4.85901        2.35137        1.75861
H         -4.36863        2.39707        3.48022
C         -2.51208        0.88342        2.21333
H         -2.47477        1.83565        1.66259
H         -0.45845       -0.92415        3.02155
H         -1.90172        1.00605        3.12213
C         -4.05716       -0.38462        3.77142
H         -3.41754       -1.28035        3.68180
H         -5.09098       -0.73101        3.93989
H         -3.73482        0.18642        4.66058
C         -0.81952       -1.55042        2.18603
H         -1.42815       -2.35782        2.62341
C          0.36321       -2.11697        1.44234
C          0.97796       -3.29353        1.93348
H          0.58994       -3.74459        2.84893
C          2.04378       -3.84534        1.26472
H          2.53886       -4.74569        1.63943
C          2.48249       -3.25662        0.05416
C          3.52713       -3.81858       -0.72637
H          4.02582       -4.72006       -0.36044
C          3.89248       -3.24615       -1.92564
H          4.69615       -3.68307       -2.52395
C          3.21322       -2.09513       -2.38879
H          3.49483       -1.65337       -3.34828
C          2.19708       -1.52378       -1.65013
H          1.66112       -0.64668       -2.01108
C          1.81768       -2.07535       -0.40425
C          3.60425        1.20122        0.10408
C          4.07615        0.65658        1.34292
C          5.21973       -0.14680        1.29718
H          5.58854       -0.58553        2.21938
C          5.92874       -0.41208        0.12233
C          5.52807        0.26303       -1.03049
H          6.12467        0.14029       -1.92687
C          4.39747        1.08850       -1.08349
C          3.48185        0.99883        2.73893
C          4.37235        0.47550        3.88670
H          3.94293        0.80452        4.84794
H          5.39991        0.87172        3.83098
H          4.42122       -0.62624        3.91255
C          2.08836        0.38185        2.96530
H          2.14231       -0.71711        2.88733
H          1.33470        0.73484        2.24431
H          1.72874        0.63874        3.97798
C          3.42341        2.53438        2.89888
H          2.72131        2.99915        2.19448
H          4.42040        2.97985        2.73851
H          3.09200        2.79479        3.91970
C          7.15282       -1.33696        0.15649
C          6.79087       -2.65940        0.86580
H          5.96070       -3.16712        0.34622
H          6.48908       -2.50044        1.91467
H          7.66263       -3.33702        0.87315
C          7.66149       -1.67452       -1.25547
H          8.50007       -2.38856       -1.18923
H          8.03474       -0.78304       -1.78745
H          6.86990       -2.13818       -1.87037
C          8.28393       -0.62892        0.93540
H          9.18209       -1.27081        0.97867
H          7.98000       -0.40029        1.97152
H          8.56318        0.32104        0.44710
C          4.17248        1.93537       -2.37290
C          2.85751        1.63585       -3.12538
H          1.95001        1.77602       -2.51755
H          2.84970        0.60318       -3.51069
H          2.77053        2.31638       -3.98993
C          5.29918        1.71991       -3.40612
H          5.33270        0.68217       -3.77964
H          6.29176        1.97965       -3.00290
H          5.11571        2.37396       -4.27490
C          4.22519        3.42900       -1.97337
H          4.16214        4.06472       -2.87423
H          5.17292        3.65772       -1.45630
H          3.39683        3.71002       -1.30832
C          1.32599        3.22021        0.13179
H          1.94946        4.07440        0.39533
C         -0.07705        3.41490       -0.10244
C         -0.65376        4.71633        0.01864
H         -0.00619        5.54079        0.32354
C         -1.98641        4.91077       -0.22094
H         -2.44169        5.89767       -0.09804
C         -2.78550        3.82123       -0.66757
C         -4.16130        3.96664       -0.98030
H         -4.62683        4.94618       -0.83786
C         -4.89542        2.90164       -1.46646
H         -5.95695        3.02047       -1.69919
C         -4.25827        1.65923       -1.67986
H         -4.82345        0.81569       -2.08411
C         -2.92343        1.48761       -1.36680
H         -2.43794        0.53325       -1.54703
C         -2.15869        2.54486       -0.82279
Ir        -0.02374        0.39723       -0.16190
