87
[5, S0]
Pt      -1.528386    0.960266   -0.108019
P      -1.002613   -1.335814    0.209121
N      -0.688543    3.676022   -0.659310
N      -2.830872    3.846183   -0.643504
N      4.042196    0.768003   -0.199182
N      -3.626424    0.509436    0.195967
C      -1.826421    2.958282   -0.480508
C      -0.968329    5.001219   -0.923266
H      -0.204646    5.745332   -1.099258
C     -2.318455    5.106788   -0.911396
H     -2.964598    5.958909   -1.072040
C     -4.256242    3.570280   -0.547346
H     -4.800215    4.397313   -1.009591
H     -4.494279    2.648162   -1.083882
H     -4.563013    3.480805    0.499724
C     0.542234    2.977314   -0.579745
C     0.408069    1.592477   -0.348782
C     1.605001    0.881806   -0.242700
H     1.609698   -0.190293   -0.042434
C     2.849785    1.514470   -0.360213
C     2.928873    2.882548   -0.603668
H     3.901109    3.359025   -0.712216
C     1.759567    3.625871   -0.708962
H     1.811787    4.697421   -0.891929
C     5.044111    1.048539    0.727897
C     5.077127    2.027199    1.719859
H     4.252977    2.726358    1.851293
C     6.200620    2.078792    2.535262
H     6.253885    2.834754    3.317062
C     7.264573    1.179622    2.373477
H     8.130547    1.248256    3.029182
C     7.220485    0.202489    1.388337
H     8.043885   -0.500989    1.267235
C     6.102309    0.129469    0.555705
C     5.725605   -0.739108   -0.533692
C     6.359670   -1.804209   -1.174194
H     7.344535   -2.136437   -0.846791
C     5.719017   -2.426421   -2.236800
H     6.201850   -3.256007   -2.750101
C     4.453243   -1.995109   -2.656904
H     3.965329   -2.498603   -3.490486
C     3.796255   -0.941616   -2.032617
H     2.806657   -0.621451   -2.361693
C     4.447892   -0.319256   -0.970335
C     -4.208150    0.823530    1.364837
H     -3.561227    1.282743    2.111557
C     -5.552211    0.589373    1.609062
H     -5.982222    0.864904    2.567911
C     -6.321026    0.001428    0.609923
H     -7.378476   -0.195168    0.770922
C     -5.715644   -0.337212   -0.595306
H     -6.274224   -0.807804   -1.399530
C     -4.366262   -0.066426   -0.764678
H     -3.843866   -0.309749   -1.689604
C     -2.476844   -2.423331    0.237886
C     -3.300802   -2.403735    1.369685
H     -3.023831   -1.800136    2.235775
C     -4.473375   -3.147433    1.395525
H     -5.108545   -3.123624    2.279413
C     -4.833595   -3.922855    0.294211
H     -5.751092   -4.507853    0.316758
C     -4.017363   -3.950359   -0.831185
H     -4.289916   -4.559456   -1.691032
C     -2.842757   -3.201660   -0.862449
H     -2.208925   -3.232451   -1.748206
C     -0.016371   -2.015671   -1.169467
C     -0.206287   -1.456187   -2.438276
H     -0.844165   -0.577172   -2.551574
C     0.406858   -2.019800   -3.552977
H     0.250560   -1.581451   -4.536779
C     1.217213   -3.142701   -3.405505
H     1.691468   -3.589617   -4.277948
C     1.427512   -3.689903   -2.142717
H     2.076901   -4.555169   -2.024140
C     0.813995   -3.130544   -1.026746
H     0.986972   -3.566999   -0.043907
C     -0.162801   -1.747616    1.777252
C     -0.103201   -3.070221    2.237028
H     -0.568132   -3.871606    1.662282
C     0.526241   -3.365443    3.440239
H     0.569716   -4.395547    3.788092
C     1.089711   -2.343748    4.201998
H     1.578411   -2.576549    5.146194
C     1.018737   -1.026235    3.762210
H     1.447830   -0.225083    4.360645
C     0.392284   -0.726896    2.555555
H     0.330930    0.307340    2.216869
87
[5, T1]
Pt     -1.499802    0.980875   -0.143200
P      -1.049754   -1.323581    0.237058
N      -0.564272    3.693391   -0.609015
N      -2.738981    3.884491   -0.726258
N      4.041284    0.700155   -0.178788
N      -3.623116    0.591782    0.125400
C      -1.752498    2.957403   -0.511001
C      -0.840616    5.039414   -0.848188
H      -0.070501    5.787621   -0.966578
C     -2.187675    5.135692   -0.920721
H     -2.811470    6.000396   -1.107843
C     -4.163479    3.625264   -0.757072
H     -4.663397    4.475999   -1.227455
H     -4.367655    2.727887   -1.350228
H     -4.566578    3.493426    0.254204
C     0.600817    3.015969   -0.493437
C     0.424642    1.550966   -0.337905
C     1.604955    0.820409   -0.288968
H     1.582025   -0.265007   -0.184885
C     2.865424    1.437340   -0.281274
C     2.985890    2.881208   -0.394749
H     3.977679    3.323049   -0.453338
C     1.870271    3.646257   -0.517257
H     1.950419    4.723865   -0.644962
C     5.117639    1.031185    0.656297
C     5.196770    2.025260    1.629428
H     4.359198    2.687459    1.839146
C     6.385229    2.129740    2.344114
H     6.479975    2.901629    3.105342
C     7.451412    1.252243    2.115877
H     8.365464    1.355549    2.697012
C     7.347425    0.236761    1.170190
H     8.167520   -0.462704    1.013820
C     6.170736    0.121062    0.436049
C     5.717052   -0.808205   -0.575597
C     6.330643   -1.875766   -1.223171
H     7.348337   -2.166376   -0.965835
C     5.627997   -2.548072   -2.217003
H     6.094055   -3.381573   -2.738644
C     4.330456   -2.155601   -2.561929
H     3.802427   -2.686709   -3.351689
C     3.693042   -1.095911   -1.924053
H     2.684627   -0.800189   -2.213183
C     4.400719   -0.434825   -0.924158
C     -4.221603    0.963988    1.269200
H     -3.577880    1.433530    2.011679
C     -5.576514    0.775262    1.493835
H     -6.016811    1.100440    2.432369
C     -6.341297    0.168899    0.503393
H     -7.406643    0.006043    0.649519
C     -5.720551   -0.230558   -0.675288
H     -6.275385   -0.715066   -1.473934
C     -4.362077    0.001159   -0.827824
H     -3.831718   -0.281351   -1.736566
C     -2.555784   -2.368983    0.287720
C     -3.388366   -2.292062    1.410898
H     -3.103549   -1.668710    2.260056
C     -4.577642   -3.008300    1.454127
H     -5.217546   -2.939610    2.332216
C     -4.948006   -3.813998    0.378517
H     -5.878738   -4.377100    0.414181
C     -4.122909   -3.900601   -0.737430
H     -4.402080   -4.533936   -1.577500
C     -2.930943   -3.180803   -0.785157
H     -2.291242   -3.260100   -1.663523
C     -0.067246   -2.109575   -1.094623
C     -0.223392   -1.610279   -2.393067
H     -0.825505   -0.713484   -2.554493
C     0.374263   -2.254783   -3.472060
H     0.240672   -1.862471   -4.478450
C     1.137474   -3.400099   -3.260134
H     1.598862   -3.911155   -4.103914
C     1.319420   -3.886468   -1.968046
H     1.933362   -4.768952   -1.797797
C     0.719615   -3.246524   -0.888473
H     0.868070   -3.640451    0.116145
C     -0.232322   -1.737107    1.822706
C     -0.264607   -3.040943    2.335522
H    -0.793060   -3.827592    1.796222
C     0.352196   -3.334083    3.546189
H     0.320951   -4.349568    3.936324
C     0.999026   -2.328405    4.261417
H     1.477207   -2.558737    5.211719
C     1.023112   -1.028456    3.767213
H     1.517331   -0.237807    4.328667
C     0.406072   -0.731968    2.554772
H     0.409442    0.289844    2.173252
91
[7, S0]
Pt     1.119848   -0.765928   -0.156074
P      3.100136    0.377408    0.583139
P      0.502051    1.275540    0.846901
N      0.587870   -3.223089   -1.617460
N      2.716623   -3.284488   -1.309342
N      -4.364362   -0.786631   -0.755130
C      1.622358   -2.541870   -1.054067
C      1.029435   -4.382948   -2.218866
C      2.371796   -4.420485   -2.025383
C     4.068983   -2.943482   -0.894719
C     -0.712798   -2.668728   -1.465283
C     -0.726118   -1.486090   -0.706556
C     -1.965203   -0.910321   -0.469477
C     -3.139754   -1.443748   -1.016436
C     -3.083232   -2.596390   -1.796757
C     -1.857056   -3.229556   -2.007767
C     -4.532243    0.600120   -0.723337
C     -3.672871    1.607487   -1.161445
C     -4.080225    2.925775   -1.005298
C     -5.324704    3.242191   -0.440809
C     -6.190577    2.234704   -0.035689
C     -5.797529    0.901954   -0.176085
C     -6.426027   -0.358543    0.141235
C     -7.654684   -0.701706    0.707273
C     -7.945934   -2.041429    0.923993
C     -7.016573   -3.035794    0.588595
C     -5.789167   -2.719840    0.018957
C     -5.510852   -1.374650   -0.214341
C     -0.839473    1.301395    2.072695
C     -0.829249    0.319582    3.072135
C     -1.897759    0.210471    3.951767
C     -2.994490    1.062444    3.824985
C     -3.015461    2.029073    2.825667
C     -1.939274    2.154630    1.950946
C     0.223856    2.673795   -0.271257
C     -0.107292    2.423892   -1.606428
C     -0.383289    3.483804   -2.466066
C     -0.324582    4.792379   -1.994896
C     0.013068    5.046842   -0.666217
C     0.287941    3.992017    0.195425
C     2.139793    1.538638    1.682797
C     4.386277   -0.414589    1.595697
C     5.736202   -0.394851    1.238726
C     6.660698   -1.126854    1.979427
C     6.244059   -1.876857    3.074340
C     4.896777   -1.903375    3.431024
C     3.968648   -1.183338    2.689743
C     3.918702    1.442025   -0.636816
C     4.706476    2.529519   -0.240342
C     5.290971    3.348336   -1.198158
C     5.090212    3.088478   -2.553386
C     4.308287    2.009565   -2.953256
C     3.720999    1.185857   -1.996956
H     0.368030   -5.076912   -2.718044
H     3.110835   -5.149958   -2.327567
H     4.725695   -3.789938   -1.108033
H     4.088881   -2.735117    0.180268
H     4.427650   -2.066315   -1.445189
H     -2.054966   -0.024452    0.158413
H     -3.988640   -2.994488   -2.250204
H     -1.814045   -4.136490   -2.609122
H     -2.708474    1.378378   -1.611165
H     -3.407757    3.721976   -1.327501
H     -5.616938    4.284661   -0.329684
H     -7.164223    2.478554    0.388542
H     -8.370094    0.073243    0.981169
H     -8.900521   -2.324506    1.363455
H     -7.257543   -4.080294    0.779245
H     -5.069858   -3.498593   -0.226750
H     0.007556   -0.377349    3.149062
H     -1.882870   -0.550690    4.729120
H     -3.837985    0.964781    4.505412
H     -3.873508    2.689919    2.717796
H     -1.972629    2.906698    1.163350
H     -0.143389    1.395291   -1.970226
H     -0.642072    3.285595   -3.504248
H     -0.540060    5.620979   -2.666618
H     0.060545    6.070530   -0.300962
H     0.536074    4.196094    1.237890
H     2.091402    1.120071    2.697682
H     2.502488    2.572288    1.744649
H     6.068221    0.184460    0.377898
H     7.711443   -1.108852    1.697139
H     6.969272   -2.448273    3.650128
H     4.568130   -2.494411    4.283481
H     2.910735   -1.234489    2.955438
H     4.868806    2.733929    0.819043
H     5.902240    4.193714   -0.889037
H     5.544966    3.735548   -3.300918
H     4.149975    1.810391   -4.011201
H     3.096088    0.344457   -2.301985
91
[7, T1]
Pt     1.111921   -0.746362   -0.179263
P      3.124029    0.323197    0.555619
P      0.571343    1.308271    0.829515
N      0.466894   -3.225857   -1.578800
N      2.638430   -3.293257   -1.321254
N      -4.363646   -0.746200   -0.617695
C      1.557345   -2.503714   -1.058286
C      0.906358   -4.419506   -2.148635
C      2.249392   -4.445142   -1.979131
C     3.995480   -2.960816   -0.943688
C     -0.764482   -2.675700   -1.425144
C     -0.729850   -1.403878   -0.694780
C     -1.955993   -0.816100   -0.445254
C     -3.159837   -1.381701   -0.886285
C     -3.149988   -2.612908   -1.649958
C     -1.968862   -3.244392   -1.909051
C     -4.572909    0.645314   -0.599605
C     -3.723404    1.676750   -0.997168
C     -4.196524    2.980227   -0.891628
C     -5.487976    3.251058   -0.425726
C     -6.347588    2.213447   -0.077637
C     -5.890652    0.902501   -0.169651
C     -6.514933   -0.378995    0.081181
C     -7.774161   -0.748213    0.542767
C     -8.047166   -2.098380    0.739070
C     -7.066298   -3.067356    0.502662
C     -5.799187   -2.718764    0.047370
C     -5.550232   -1.369653   -0.192503
C     -0.768676    1.371006    2.064339
C     -0.780385    0.392133    3.066532
C     -1.864649    0.286646    3.927519
C     -2.962621    1.133410    3.774422
C     -2.962747    2.098638    2.773942
C     -1.864139    2.227483    1.927285
C     0.309486    2.741454   -0.256947
C     -0.047738    2.519217   -1.589872
C     -0.304044    3.596409   -2.434086
C     -0.195856    4.897175   -1.950610
C     0.166690    5.124829   -0.623578
C     0.417847    4.051637    0.223233
C     2.221601    1.539007    1.647745
C     4.395210   -0.499536    1.572186
C     5.746869   -0.517782    1.221729
C     6.649801   -1.271143    1.968297
C     6.210993   -2.002803    3.066752
C     4.862490   -1.989349    3.420004
C     3.956455   -1.250446    2.669899
C     4.002576    1.358188   -0.656877
C     4.854710    2.393827   -0.253648
C     5.484405    3.186774   -1.205044
C     5.267543    2.952286   -2.562383
C     4.420545    1.926521   -2.969615
C     3.786268    1.131553   -2.018810
H     0.236658   -5.134809   -2.603661
H     2.971418   -5.195728   -2.274162
H     4.664538   -3.753005   -1.288552
H     4.078114   -2.868421    0.147186
H     4.297278   -2.012819   -1.407913
H     -2.017119    0.084759    0.163612
H     -4.080105   -2.989114   -2.068771
H     -1.952561   -4.156735   -2.502548
H     -2.725286    1.488383   -1.388407
H     -3.542010    3.801712   -1.181781
H     -5.829026    4.281674   -0.353537
H     -7.363719    2.421649    0.254192
H     -8.527786    0.008161    0.757358
H     -9.027325   -2.403999    1.099102
H     -7.290159   -4.115378    0.690938
H     -5.033061   -3.477944   -0.090844
H     0.050654   -0.310800    3.153166
H     -1.863884   -0.471735    4.707975
H     -3.821947    1.032479    4.434424
H     -3.823308    2.751683    2.635891
H     -1.877168    2.984528    1.144369
H     -0.113279    1.494223   -1.962178
H     -0.582269    3.418204   -3.471007
H     -0.392416    5.740132   -2.610332
H     0.251728    6.142324   -0.247302
H     0.681375    4.235016    1.265913
H     2.177075    1.154043    2.675686
H     2.618819    2.562381    1.668876
H     6.097551    0.047526    0.359111
H     7.701151   -1.283788    1.687367
H     6.918657   -2.591085    3.647633
H     4.515372   -2.565790    4.275300
H     2.895182   -1.274331    2.926646
H     5.032924    2.577159    0.807062
H     6.144688    3.991804   -0.888571
H     5.759763    3.577419   -3.304983
H     4.247738    1.746984   -4.028987
H     3.102604    0.337387   -2.326586
98
[9, S0]
Pt     -0.954850    0.794958   -0.292694
P      -3.058590   -0.108175    0.405820
P      -0.214513   -1.224540    0.680335
N      -2.516801    3.309351   -1.591243
N      -0.382135    3.437449   -1.387162
N      4.591845    1.019123   -0.685463
C      -1.442833    2.614877   -1.155660
C      -2.131010    4.552738   -2.068555
H      -2.851960    5.258007   -2.459216
C     -0.785638    4.633129   -1.943021
H     -0.098729    5.423567   -2.209691
C     -3.896552    2.855340   -1.636901
H     -4.367424    3.262971   -2.535784
H     -3.918286    1.764778   -1.696658
H     -4.448212    3.188290   -0.751593
C     0.918622    2.907645   -1.185602
C     0.921231    1.571507   -0.748344
C     2.173056    0.981753   -0.629109
H     2.282262   -0.048191   -0.301909
C     3.355295    1.683521   -0.886839
C     3.309557    3.013782   -1.287563
H     4.230755    3.556183   -1.492253
C     2.070720    3.634883   -1.442198
H     2.024307    4.671833   -1.770251
C     4.905868   -0.250679   -1.166314
C     4.244085   -1.020657   -2.121506
H     3.352273   -0.652140   -2.626507
C     4.760835   -2.278410   -2.407385
H     4.254069   -2.904387   -3.140442
C     5.919210   -2.754293   -1.775526
H     6.299587   -3.742965   -2.025410
C     6.584963   -1.974039   -0.839715
H     7.487536   -2.341542   -0.351864
C     6.075461   -0.713163   -0.524152
C     6.464206    0.307647    0.418283
C     7.485219    0.403161    1.365369
H     8.226698   -0.389873    1.459580
C     7.531187    1.515578    2.194957
H     8.319101    1.603646    2.940672
C     6.567903    2.528767    2.084979
H     6.617017    3.388627    2.751048
C     5.549430    2.462200    1.141901
H     4.801691    3.249420    1.063590
C     5.514343    1.346806    0.308478
C     -4.392976    0.992543    0.972835
C     -4.030870    2.033326    1.836342
H     -2.988244    2.151635    2.138813
C     -4.993947    2.921059    2.300169
H     -4.708274    3.729581    2.969962
C     -6.321772    2.778871    1.898371
H     -7.074706    3.478139    2.256562
C     -6.684359    1.745693    1.039695
H     -7.720205    1.634442    0.725393
C     -5.723555    0.849737    0.576630
H     -6.012409    0.047515   -0.101944
C     -3.767618   -1.310823   -0.769767
C     -4.682467   -2.288886   -0.360292
H     -5.030199   -2.319643    0.672473
C     -5.140777   -3.239303   -1.264363
H     -5.851548   -3.995889   -0.938109
C     -4.681486   -3.229264   -2.579871
H     -5.035248   -3.980281   -3.283680
C     -3.767321   -2.265331   -2.992954
H     -3.400728   -2.261363   -4.017526
C     -3.310125   -1.308186   -2.092002
H     -2.582138   -0.562569   -2.416272
C     -2.699269   -1.128612    1.888376
C     -3.638296   -1.400402    2.883272
H     -4.632435   -0.955495    2.834369
C     -3.298468   -2.224520    3.952763
H     -4.030870   -2.423760    4.732233
C     -2.026230   -2.784195    4.032450
H     -1.763501   -3.423727    4.872290
C     -1.080899   -2.511345    3.048191
H     -0.078358   -2.933592    3.120469
C     -1.412576   -1.678551    1.979389
C     -0.219000   -2.568202   -0.547200
C     -0.857217   -3.789390   -0.321246
H     -1.362464   -3.979486    0.625821
C     -0.857678   -4.765455   -1.314367
H     -1.360039   -5.714476   -1.137611
C     -0.208986   -4.533418   -2.523485
H     -0.207709   -5.300912   -3.294950
C     0.434481   -3.317707   -2.750882
H     0.937933   -3.133030   -3.698132
C     0.419791   -2.332668   -1.771732
H     0.903753   -1.371375   -1.955605
C     1.406513   -1.261645    1.502530
C     2.399984   -2.176714    1.148551
H     2.187922   -2.973692    0.435912
C     3.684175   -2.042571    1.673078
H     4.461890   -2.743857    1.375619
C     3.975933   -1.002015    2.549452
H     4.988006   -0.878595    2.933061
C     2.975208   -0.108054    2.932000
H     3.203305    0.703961    3.619778
C     1.695577   -0.234631    2.410148
H     0.924535    0.492175    2.672741
98
[9, T1]
Pt     0.936898   -0.830036   -0.247724
P      3.076966    0.031252    0.367854
P      0.299774    1.255230    0.649895
N      2.393227   -3.426135   -1.487816
N      0.218095   -3.470703   -1.294225
N      -4.584372   -0.891537   -0.544902
C      1.342638   -2.652051   -1.067932
C      1.949567   -4.662630   -1.916438
H      2.642814   -5.407850   -2.285160
C     0.604427   -4.710846   -1.798621
H     -0.100230   -5.491490   -2.045167
C     3.783425   -3.029496   -1.555374
H     4.254969   -3.533642   -2.404509
H     3.843678   -1.948249   -1.716468
H     4.321765   -3.290124   -0.636949
C     -1.004699   -2.932626   -1.075194
C     -0.946224   -1.528814   -0.651675
C     -2.170959   -0.897256   -0.563733
H     -2.237082    0.144888   -0.269052
C     -3.389290   -1.574412   -0.731550
C     -3.404582   -2.978686   -1.081142
H     -4.354579   -3.472671   -1.270718
C     -2.225716   -3.635189   -1.264886
H     -2.220199   -4.677130   -1.578762
C     -4.846680    0.428469   -0.945338
C     -4.091413    1.270536   -1.758343
H     -3.149646    0.947465   -2.195917
C     -4.593628    2.541831   -2.013352
H     -4.016479    3.222360   -2.636946
C     -5.823643    2.956833   -1.489666
H     -6.189103    3.958630   -1.705726
C     -6.594171    2.093152   -0.716670
H     -7.564729    2.406221   -0.334476
C     -6.106704    0.817646   -0.448044
C     -6.642743   -0.313482    0.277887
C     -7.820279   -0.512176    0.991675
H     -8.569318    0.276044    1.053494
C     -8.016573   -1.729746    1.635950
H     -8.933168   -1.902518    2.196074
C     -7.037833   -2.727996    1.589375
H     -7.199472   -3.663895    2.120387
C     -5.849716   -2.546393    0.888298
H     -5.081395   -3.315631    0.892122
C     -5.681578   -1.342752    0.208527
C     4.402666   -1.075639    0.949510
C     4.043091   -2.057961    1.879845
H     3.006121   -2.132989    2.214486
C     4.998653   -2.942221    2.365277
H     4.714716   -3.703510    3.089177
C     6.316426   -2.856978    1.917196
H     7.063271   -3.554369    2.291791
C     6.676558   -1.882965    0.991018
H     7.704459   -1.816301    0.639856
C     5.723632   -0.988487    0.508360
H     6.010555   -0.231188   -0.220973
C     3.808209    1.175139   -0.859815
C     4.751736    2.146018   -0.501847
H     5.114969    2.210195    0.524139
C     5.221987    3.047647   -1.449326
H     5.953254    3.800589   -1.161900
C     4.751247    2.993115   -2.759800
H     5.115781    3.706113   -3.497040
C     3.812305    2.033244   -3.123866
H     3.435362    1.993390   -4.144075
C     3.338769    1.130263   -2.176552
H     2.584393    0.391869   -2.454124
C     2.793020    1.118367    1.822243
C     3.762461    1.395157    2.785779
H     4.743329    0.922809    2.728657
C     3.469741    2.260637    3.837467
H     4.225021    2.462297    4.594361
C     2.215865    2.857510    3.928447
H     1.990105    3.529714    4.753548
C     1.241608    2.583053    2.972075
H     0.253962    3.038647    3.049605
C     1.526172    1.708214    1.924326
C     0.349923    2.598158   -0.585948
C     0.984937    3.819367   -0.348991
H     1.471197    4.008312    0.608134
C     1.010670    4.794201   -1.343106
H     1.516866    5.739726   -1.158226
C     0.390749    4.561936   -2.567262
H     0.412402    5.326969   -3.341014
C     -0.249759    3.347023   -2.807127
H     -0.728175    3.159698   -3.766915
C     -0.257407    2.364296   -1.825455
H     -0.716647    1.393432   -2.023108
C     -1.310398    1.409811    1.489456
C     -2.255604    2.368058    1.119422
H     -2.011523    3.123043    0.372104
C     -3.534647    2.331370    1.672913
H     -4.281119    3.057353    1.354100
C     -3.865316    1.349683    2.600379
H     -4.871034    1.311568    3.015932
C     -2.911562    0.412255    2.999720
H     -3.166334   -0.348828    3.734736
C     -1.639615    0.439522    2.444905
H     -0.905013   -0.318989    2.721348

