74
Coordinates from ORCA-job orca E -7352.596985316416
  N      -3.299990     -4.104629      1.780195
  C      -3.805971     -4.923889      0.696654
  C      -4.047198     -6.320856      1.264270
  N      -3.179782     -6.455892      2.441457
  C      -3.472423     -7.712695      3.169925
  C      -4.047856     -7.352752      4.542140
  N      -4.658109     -6.052812      4.369625
  Mo     -3.595202     -4.570232      3.642811
  N      -1.859007     -5.276228      4.195996
  C      -0.974374     -6.036384      3.330942
  C      -1.752913     -6.408094      2.069950
  H      -0.641960     -6.934242      3.864955
  H      -0.094407     -5.434414      3.076987
  H      -1.427249     -7.377057      1.678720
  H      -1.577574     -5.661649      1.293727
  H      -4.771792     -8.105491      4.856570
  H      -3.265696     -7.289772      5.311740
  H      -4.208491     -8.291244      2.606606
  H      -2.573189     -8.318592      3.282136
  H      -3.094947     -4.962130     -0.134012
  H      -4.733514     -4.471227      0.325605
  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
  C      -2.684486     -2.951328      1.427320
  C      -2.383500     -2.492724      0.129391
  C      -1.766638     -1.277312     -0.038991
  C      -1.465885     -0.462349      1.058583
  C      -1.749645     -0.882868      2.334449
  C      -2.315720     -2.152338      2.541662
  N      -2.714241     -2.643529      3.748529
  C      -2.208023     -2.084639      4.856416
  C      -0.859435     -1.720137      5.069671
  O      -0.379068     -1.064248      5.960904
  Cl      0.283872     -2.552045      3.950826
  C      -5.918643     -5.829973      4.810057
  C      -6.736010     -6.674983      5.579240
  C      -8.020413     -6.287734      5.882295
  C      -8.534345     -5.074283      5.419524
  C      -7.746495     -4.216940      4.685565
  C      -6.420284     -4.567983      4.397857
  N      -5.522678     -3.818240      3.666224
  C      -5.802201     -2.512325      3.541144
  C      -5.398691     -1.741090      2.431255
  O      -5.007640     -2.090636      1.348001
  Cl     -5.633406      0.024200      2.736555
  C      -1.441755     -5.112685      5.469058
  C      -0.170902     -5.439020      5.985639
  C       0.128735     -5.152284      7.292352
  C      -0.802601     -4.508061      8.120244
  C      -2.051452     -4.198174      7.652830
  C      -2.415018     -4.538626      6.334732
  N      -3.605301     -4.253288      5.746051
  C      -4.668710     -3.915364      6.484581
  C      -4.999503     -4.499897      7.734761
  O      -4.572023     -5.461593      8.310211
  Cl     -6.441770     -3.651290      8.442770
  H      -2.655799     -3.064241     -0.741288
  H      -1.539946     -0.926673     -1.033690
  H      -1.029768      0.511791      0.900591
  H      -1.571633     -0.234903      3.180755
  H      -2.861130     -1.933994      5.717978
  H      -6.367494     -7.617258      5.949393
  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
  H      -8.161533     -3.296931      4.305485
  H      -6.442411     -2.024602      4.268364
  H       0.584869     -5.871797      5.352651
  H       1.106249     -5.389709      7.682103
  H      -0.523285     -4.234590      9.125438
  H      -2.748483     -3.655222      8.269629
  H      -5.370178     -3.204046      6.080453
  N      -5.018756     -5.389362      2.286559
  N      -5.855512     -5.870841      1.489363
  H      -5.397236     -6.314246      0.685590
74
Coordinates from ORCA-job orca E -7352.698777184642
  N      -3.280931     -4.099655      1.757344
  C      -3.780848     -4.924079      0.667758
  C      -4.034404     -6.329888      1.245990
  N      -3.163712     -6.466817      2.434704
  C      -3.459514     -7.723667      3.170831
  C      -4.043047     -7.359803      4.544481
  N      -4.664863     -6.059609      4.375653
  Mo     -3.592324     -4.570133      3.637037
  N      -1.845471     -5.284527      4.197672
  C      -0.957253     -6.047880      3.332805
  C      -1.730270     -6.420286      2.069031
  H      -0.627332     -6.946868      3.869461
  H      -0.074014     -5.446973      3.080783
  H      -1.402334     -7.391322      1.680681
  H      -1.552928     -5.674803      1.291319
  H      -4.765839     -8.114855      4.861247
  H      -3.258474     -7.294201      5.312478
  H      -4.193589     -8.306884      2.606280
  H      -2.557051     -8.327470      3.287506
  H      -3.061297     -4.965432     -0.159739
  H      -4.703509     -4.469480      0.286193
  H      -3.795183     -7.107091      0.498222
  H      -5.107505     -6.453275      1.575216
  C      -2.657044     -2.945115      1.405614
  C      -2.348112     -2.492891      0.106172
  C      -1.726669     -1.276597     -0.064031
  C      -1.430440     -0.457526      1.035332
  C      -1.722786     -0.875364      2.313417
  C      -2.293490     -2.145347      2.521423
  N      -2.698213     -2.637107      3.735234
  C      -2.186389     -2.073353      4.847039
  C      -0.834680     -1.705588      5.072644
  O      -0.371334     -1.044581      5.974656
  Cl      0.340431     -2.529615      3.966185
  C      -5.929402     -5.833732      4.821634
  C      -6.740543     -6.682179      5.594084
  C      -8.029399     -6.297595      5.906480
  C      -8.547576     -5.083816      5.447995
  C      -7.760233     -4.221783      4.708460
  C      -6.435228     -4.570152      4.414289
  N      -5.539833     -3.805866      3.671892
  C      -5.851197     -2.496787      3.553981
  C      -5.492534     -1.696647      2.446880
  O      -5.117214     -2.018537      1.343615
  Cl     -5.776580      0.060203      2.787031
  C      -1.433158     -5.119967      5.477431
  C      -0.162356     -5.449349      5.997719
  C       0.134924     -5.163098      7.308684
  C      -0.800154     -4.516751      8.135992
  C      -2.050312     -4.204610      7.663849
  C      -2.411558     -4.544113      6.342764
  N      -3.606318     -4.253632      5.749987
  C      -4.678856     -3.910412      6.485222
  C      -5.023097     -4.496579      7.734380
  O      -4.599306     -5.465699      8.313424
  Cl     -6.470509     -3.639031      8.435330
  H      -2.618823     -3.069753     -0.765449
  H      -1.493547     -0.929118     -1.061862
  H      -0.990275      0.518150      0.877089
  H      -1.546996     -0.224413      3.160485
  H      -2.842644     -1.921556      5.705245
  H      -6.365485     -7.626714      5.961221
  H      -8.650756     -6.950753      6.504876
  H      -9.571649     -4.817400      5.672151
  H      -8.178204     -3.298807      4.330262
  H      -6.496069     -2.033307      4.295521
  H       0.596340     -5.883949      5.363955
  H       1.114244     -5.402555      7.701619
  H      -0.522784     -4.242822      9.144999
  H      -2.749934     -3.659698      8.280816
  H      -5.375622     -3.194979      6.075865
  N      -5.039504     -5.385492      2.277416
  N      -5.926634     -5.852202      1.470803
  H      -5.501338     -6.298460      0.643447
74
Coordinates from ORCA-job orca E -7352.775522070665
  N      -3.267362     -4.091637      1.733366
  C      -3.761890     -4.924179      0.641027
  C      -4.025086     -6.336353      1.229916
  N      -3.150569     -6.476237      2.428255
  C      -3.449261     -7.733653      3.171399
  C      -4.041496     -7.369890      4.546412
  N      -4.676289     -6.071248      4.383355
  Mo     -3.592911     -4.570199      3.633650
  N      -1.831024     -5.292105      4.202050
  C      -0.940934     -6.056949      3.334305
  C      -1.711297     -6.429330      2.068317
  H      -0.611701     -6.957324      3.871862
  H      -0.055255     -5.456481      3.082895
  H      -1.381200     -7.401818      1.681312
  H      -1.534613     -5.683732      1.289703
  H      -4.762461     -8.128844      4.863475
  H      -3.255070     -7.302284      5.313193
  H      -4.180791     -8.320757      2.604680
  H      -2.543103     -8.334547      3.291422
  H      -3.035642     -4.968099     -0.183792
  H      -4.682201     -4.470942      0.250427
  H      -3.780724     -7.119397      0.480031
  H      -5.125847     -6.466773      1.567324
  C      -2.638305     -2.933585      1.385340
  C      -2.325541     -2.484514      0.085511
  C      -1.702177     -1.265079     -0.084808
  C      -1.410029     -0.444443      1.017458
  C      -1.707704     -0.863393      2.297480
  C      -2.279678     -2.134824      2.503752
  N      -2.687683     -2.629620      3.724569
  C      -2.170469     -2.062093      4.838904
  C      -0.817211     -1.689136      5.072829
  O      -0.370385     -1.024340      5.984455
  Cl      0.385303     -2.500732      3.970660
  C      -5.945743     -5.840675      4.832265
  C      -6.751694     -6.692407      5.605603
  C      -8.045640     -6.310250      5.924982
  C      -8.566864     -5.096166      5.470380
  C      -7.778695     -4.228955      4.726792
  C      -6.455389     -4.574753      4.428751
  N      -5.557919     -3.796754      3.677980
  C      -5.880818     -2.485359      3.561176
  C      -5.525724     -1.684729      2.451097
  O      -5.143697     -2.009504      1.345082
  Cl     -5.822190      0.076582      2.789708
  C      -1.424983     -5.125677      5.486951
  C      -0.153695     -5.456862      6.010399
  C       0.141223     -5.170344      7.324875
  C      -0.797889     -4.522349      8.152076
  C      -2.049390     -4.209414      7.675919
  C      -2.408256     -4.548639      6.352470
  N      -3.607216     -4.253947      5.758591
  C      -4.684390     -3.906079      6.494073
  C      -5.034818     -4.494476      7.743093
  O      -4.610527     -5.469778      8.321980
  Cl     -6.484673     -3.629692      8.444792
  H      -2.595372     -3.065432     -0.787415
  H      -1.465489     -0.917976     -1.085218
  H      -0.968237      0.533925      0.860689
  H      -1.534006     -0.211208      3.146592
  H      -2.828289     -1.912723      5.695681
  H      -6.370722     -7.639136      5.969858
  H      -8.664801     -6.968024      6.525947
  H      -9.593185     -4.829919      5.698610
  H      -8.198790     -3.303125      4.350297
  H      -6.530816     -2.027807      4.304026
  H       0.607759     -5.892660      5.375613
  H       1.122670     -5.410688      7.720330
  H      -0.522348     -4.247316      9.164452
  H      -2.751948     -3.663213      8.293152
  H      -5.378118     -3.186851      6.082502
  N      -5.066472     -5.382369      2.268455
  N      -6.001367     -5.828566      1.458698
  H      -5.611413     -6.274186      0.614178
74
Coordinates from ORCA-job orca E -7352.833453782228
  N      -3.251017     -4.085089      1.708784
  C      -3.738904     -4.927079      0.615544
  C      -4.012457     -6.341436      1.214279
  N      -3.137240     -6.484540      2.420481
  C      -3.440794     -7.741020      3.170928
  C      -4.041758     -7.378029      4.546070
  N      -4.687858     -6.082281      4.389518
  Mo     -3.593188     -4.569664      3.629237
  N      -1.816577     -5.299051      4.206960
  C      -0.925787     -6.065058      3.336366
  C      -1.693441     -6.437479      2.067773
  H      -0.597427     -6.966690      3.874673
  H      -0.037666     -5.465635      3.085437
  H      -1.361550     -7.411262      1.682202
  H      -1.517621     -5.691772      1.288439
  H      -4.761108     -8.140803      4.862622
  H      -3.253944     -7.309185      5.311957
  H      -4.169347     -8.330975      2.601156
  H      -2.531859     -8.339406      3.295132
  H      -3.005921     -4.975458     -0.205342
  H      -4.656695     -4.475761      0.214917
  H      -3.762816     -7.129856      0.464337
  H      -5.136694     -6.476467      1.559954
  C      -2.616053     -2.925457      1.366456
  C      -2.296996     -2.480375      0.067007
  C      -1.671206     -1.258894     -0.102525
  C      -1.384825     -0.436837      1.002146
  C      -1.689845     -0.855652      2.283279
  C      -2.263636     -2.127138      2.487387
  N      -2.675565     -2.623351      3.713471
  C      -2.153989     -2.054037      4.829085
  C      -0.800219     -1.678421      5.070231
  O      -0.367745     -1.012587      5.989740
  Cl      0.424594     -2.479679      3.969441
  C      -5.959371     -5.846779      4.840970
  C      -6.759492     -6.702162      5.614570
  C      -8.056978     -6.322723      5.942086
  C      -8.581053     -5.108166      5.493430
  C      -7.793137     -4.235928      4.746735
  C      -6.472510     -4.579036      4.443777
  N      -5.576881     -3.786857      3.685739
  C      -5.918420     -2.476820      3.573177
  C      -5.580378     -1.669767      2.461070
  O      -5.201114     -1.988972      1.350062
  Cl     -5.901606      0.091711      2.806653
  C      -1.418687     -5.130406      5.495225
  C      -0.147686     -5.463793      6.022429
  C       0.144482     -5.176575      7.339226
  C      -0.797833     -4.526101      8.165299
  C      -2.049448     -4.212052      7.685116
  C      -2.405945     -4.551398      6.359965
  N      -3.607122     -4.252295      5.765807
  C      -4.687230     -3.898656      6.499827
  C      -5.044780     -4.488275      7.747753
  O      -4.622039     -5.467736      8.326229
  Cl     -6.496548     -3.614784      8.448814
  H      -2.564772     -3.065289     -0.806800
  H      -1.429274     -0.912921     -1.104629
  H      -0.940899      0.543336      0.847226
  H      -1.519101     -0.202111      3.133944
  H      -2.813075     -1.907528      5.684873
  H      -6.372682     -7.650952      5.974295
  H      -8.673043     -6.985389      6.545008
  H      -9.608655     -4.841927      5.726633
  H      -8.215249     -3.307145      4.373601
  H      -6.573353     -2.032251      4.321034
  H       0.615870     -5.901325      5.387345
  H       1.127286     -5.417931      7.737221
  H      -0.524207     -4.249545      9.180232
  H      -2.754196     -3.664032      8.301872
  H      -5.376758     -3.175534      6.084897
  N      -5.094418     -5.377260      2.257010
  N      -6.069844     -5.797937      1.450375
  H      -5.713237     -6.242310      0.590975
74
Coordinates from ORCA-job orca E -7352.878131719755
  N      -3.237520     -4.079724      1.686921
  C      -3.717241     -4.931958      0.594066
  C      -3.998299     -6.345348      1.200883
  N      -3.125139     -6.491388      2.412685
  C      -3.434255     -7.745809      3.170049
  C      -4.043800     -7.384888      4.544260
  N      -4.699676     -6.093075      4.394643
  Mo     -3.595215     -4.568905      3.625633
  N      -1.804807     -5.304333      4.212273
  C      -0.913803     -6.070342      3.339147
  C      -1.678271     -6.443150      2.068044
  H      -0.585725     -6.972877      3.877908
  H      -0.023774     -5.471820      3.088606
  H      -1.344356     -7.417666      1.683647
  H      -1.503824     -5.697057      1.288388
  H      -4.761174     -8.151979      4.858896
  H      -3.255409     -7.315413      5.310006
  H      -4.159185     -8.337744      2.596198
  H      -2.523253     -8.341840      3.298920
  H      -2.978499     -4.984838     -0.222726
  H      -4.633394     -4.484202      0.183914
  H      -3.742884     -7.138363      0.452539
  H      -5.139802     -6.482916      1.555936
  C      -2.599120     -2.919230      1.351082
  C      -2.275146     -2.477017      0.052079
  C      -1.649128     -1.253337     -0.116409
  C      -1.369040     -0.430211      0.990136
  C      -1.679730     -0.849057      2.271867
  C      -2.253203     -2.120823      2.474150
  N      -2.666591     -2.618172      3.704127
  C      -2.141211     -2.048109      4.819935
  C      -0.787981     -1.669643      5.065860
  O      -0.366386     -1.004578      5.991269
  Cl      0.454112     -2.459651      3.961429
  C      -5.971662     -5.852946      4.847337
  C      -6.767115     -6.712224      5.620221
  C      -8.066840     -6.335772      5.954805
  C      -8.593571     -5.120531      5.512743
  C      -7.806734     -4.243441      4.764694
  C      -6.488144     -4.583360      4.457082
  N      -5.594714     -3.778514      3.694658
  C      -5.946919     -2.470969      3.584527
  C      -5.610680     -1.664256      2.470047
  O      -5.224860     -1.984272      1.361184
  Cl     -5.944845      0.100722      2.814043
  C      -1.414971     -5.133789      5.502105
  C      -0.144256     -5.469376      6.032461
  C       0.145892     -5.181641      7.350429
  C      -0.798445     -4.528875      8.175567
  C      -2.049634     -4.213814      7.692479
  C      -2.404661     -4.553158      6.366185
  N      -3.606566     -4.250165      5.773087
  C      -4.687826     -3.890821      6.505295
  C      -5.051754     -4.481544      7.751661
  O      -4.631390     -5.463463      8.329435
  Cl     -6.504683     -3.599026      8.452294
  H      -2.540463     -3.065603     -0.822111
  H      -1.403200     -0.908008     -1.119579
  H      -0.924658      0.551806      0.837047
  H      -1.512187     -0.194212      3.123593
  H      -2.800419     -1.906302      5.676082
  H      -6.375345     -7.662739      5.974964
  H      -8.679723     -7.003355      6.558516
  H      -9.621905     -4.854581      5.750455
  H      -8.231150     -3.312284      4.395982
  H      -6.607662     -2.033790      4.332456
  H       0.620447     -5.908394      5.396945
  H       1.129730     -5.423816      7.750036
  H      -0.526087     -4.250847      9.192176
  H      -2.755730     -3.664212      8.308869
  H      -5.372941     -3.164107      6.087182
  N      -5.125058     -5.369720      2.246947
  N      -6.131751     -5.761094      1.450943
  H      -5.805325     -6.204085      0.577013
74
Coordinates from ORCA-job orca E -7352.914844000174
  N      -3.225108     -4.076423      1.667641
  C      -3.695687     -4.939090      0.576159
  C      -3.981335     -6.348973      1.189139
  N      -3.113720     -6.497058      2.404656
  C      -3.429272     -7.748289      3.168565
  C      -4.046956     -7.390047      4.540961
  N      -4.710548     -6.102597      4.398036
  Mo     -3.597875     -4.567821      3.621872
  N      -1.795632     -5.308100      4.217043
  C      -0.904427     -6.073425      3.342423
  C      -1.664928     -6.447063      2.068903
  H      -0.576519     -6.976482      3.881691
  H      -0.012754     -5.475853      3.092490
  H      -1.328857     -7.421963      1.685782
  H      -1.491651     -5.700599      1.289150
  H      -4.762146     -8.161598      4.852791
  H      -3.258619     -7.320525      5.307184
  H      -4.150059     -8.341475      2.589865
  H      -2.517033     -8.342366      3.302809
  H      -2.952062     -4.996833     -0.236369
  H      -4.610476     -4.495491      0.156941
  H      -3.719640     -7.146017      0.444350
  H      -5.131381     -6.486109      1.553761
  C      -2.584350     -2.916475      1.338157
  C      -2.255346     -2.476767      0.039416
  C      -1.630021     -1.251486     -0.128020
  C      -1.356657     -0.427063      0.979872
  C      -1.672579     -0.845199      2.261704
  C      -2.245091     -2.117163      2.462888
  N      -2.658723     -2.614597      3.695406
  C      -2.129683     -2.044298      4.810682
  C      -0.777470     -1.664109      5.059031
  O      -0.361793     -1.001155      5.988326
  Cl      0.476028     -2.444978      3.947377
  C      -5.981301     -5.858459      4.851634
  C      -6.773329     -6.721660      5.623424
  C      -8.073825     -6.347983      5.964640
  C      -8.602926     -5.131475      5.529950
  C      -7.817794     -4.250138      4.781934
  C      -6.500740     -4.587015      4.469323
  N      -5.611272     -3.770905      3.704692
  C      -5.973653     -2.467111      3.597640
  C      -5.639487     -1.658636      2.481962
  O      -5.248127     -1.976269      1.375527
  Cl     -5.988313      0.107957      2.827586
  C      -1.413325     -5.136216      5.507367
  C      -0.143087     -5.474178      6.040879
  C       0.145218     -5.186202      7.359324
  C      -0.800428     -4.531251      8.183429
  C      -2.050592     -4.215048      7.697890
  C      -2.404418     -4.554195      6.370627
  N      -3.605448     -4.247693      5.778821
  C      -4.687368     -3.882664      6.508180
  C      -5.058311     -4.474384      7.752295
  O      -4.641807     -5.457751      8.330087
  Cl     -6.512428     -3.582653      8.450928
  H      -2.517699     -3.068812     -0.834673
  H      -1.380266     -0.907008     -1.131693
  H      -0.912444      0.556394      0.828324
  H      -1.508430     -0.188880      3.113855
  H      -2.787865     -1.907505      5.668203
  H      -6.377645     -7.673768      5.972655
  H      -8.683533     -7.020206      6.568331
  H      -9.631313     -4.865757      5.772201
  H      -8.244428     -3.316790      4.418710
  H      -6.640613     -2.038213      4.345208
  H       0.622188     -5.914511      5.405201
  H       1.129563     -5.429172      7.760179
  H      -0.529137     -4.251956      9.201065
  H      -2.757518     -3.664024      8.313695
  H      -5.367687     -3.152701      6.086534
  N      -5.155684     -5.358673      2.237723
  N      -6.181495     -5.718589      1.459584
  H      -5.881398     -6.160454      0.572292
74
Coordinates from ORCA-job orca E -7352.947484318052
  N      -3.215106     -4.074622      1.651163
  C      -3.676372     -4.947523      0.561699
  C      -3.962877     -6.352910      1.179219
  N      -3.103296     -6.501826      2.397209
  C      -3.425383     -7.749317      3.167266
  C      -4.050656     -7.394204      4.537467
  N      -4.720362     -6.111154      4.400387
  Mo     -3.601392     -4.566679      3.618253
  N      -1.789363     -5.310488      4.220998
  C      -0.897451     -6.074571      3.346084
  C      -1.653335     -6.449527      2.070477
  H      -0.569565     -6.977748      3.886073
  H      -0.004411     -5.477809      3.097019
  H      -1.314910     -7.424575      1.688779
  H      -1.480932     -5.702796      1.290709
  H      -4.763332     -8.170369      4.845992
  H      -3.262822     -7.324962      5.304648
  H      -4.141660     -8.343436      2.583399
  H      -2.512403     -8.341650      3.307209
  H      -2.928946     -5.009738     -0.246989
  H      -4.590332     -4.508612      0.134450
  H      -3.694577     -7.153475      0.439552
  H      -5.111997     -6.487099      1.552820
  C      -2.573520     -2.916101      1.327187
  C      -2.240245     -2.478030      0.028273
  C      -1.616818     -1.251438     -0.138200
  C      -1.349987     -0.425432      0.970824
  C      -1.669897     -0.842603      2.252387
  C      -2.240587     -2.115237      2.453255
  N      -2.652871     -2.612334      3.687238
  C      -2.120016     -2.041901      4.801701
  C      -0.769094     -1.660588      5.050206
  O      -0.354656     -1.000520      5.981770
  Cl      0.490991     -2.434096      3.928532
  C      -5.988975     -5.863520      4.854423
  C      -6.779157     -6.730352      5.624950
  C      -8.079434     -6.359130      5.971625
  C      -8.610735     -5.140932      5.544120
  C      -7.827548     -4.256049      4.797293
  C      -6.511124     -4.589974      4.479924
  N      -5.626178     -3.764295      3.715097
  C      -5.995469     -2.464210      3.610589
  C      -5.658269     -1.653659      2.495072
  O      -5.258215     -1.968344      1.392590
  Cl     -6.018455      0.114023      2.842887
  C      -1.413336     -5.137931      5.511313
  C      -0.143573     -5.478249      6.047642
  C       0.143201     -5.190458      7.366227
  C      -0.803279     -4.533767      8.189565
  C      -2.052215     -4.216418      7.702112
  C      -2.405061     -4.555049      6.373896
  N      -3.604175     -4.245616      5.783320
  C      -4.686595     -3.875503      6.509503
  C      -5.064497     -4.468529      7.750949
  O      -4.652530     -5.452905      8.329205
  Cl     -6.519557     -3.568061      8.447068
  H      -2.499461     -3.073217     -0.845450
  H      -1.364015     -0.907623     -1.142046
  H      -0.906839      0.559378      0.820425
  H      -1.509056     -0.184799      3.104566
  H      -2.776069     -1.910330      5.661502
  H      -6.380651     -7.683890      5.968900
  H      -8.686374     -7.035519      6.574669
  H      -9.638864     -4.875539      5.790425
  H      -8.256373     -3.320878      4.439877
  H      -6.669244     -2.041841      4.355836
  H       0.621911     -5.919532      5.411841
  H       1.127766     -5.434146      7.767932
  H      -0.532793     -4.253597      9.207828
  H      -2.759702     -3.664346      8.317340
  H      -5.362225     -3.142628      6.084666
  N      -5.185737     -5.344272      2.230145
  N      -6.218383     -5.672954      1.475540
  H      -5.941070     -6.114010      0.575793
74
Coordinates from ORCA-job orca E -7352.977769177719
  N      -3.206973     -4.073928      1.636757
  C      -3.659052     -4.956592      0.549847
  C      -3.943823     -6.357382      1.170337
  N      -3.093924     -6.505973      2.390458
  C      -3.422311     -7.749478      3.166443
  C      -4.054291     -7.397615      4.534492
  N      -4.728876     -6.118881      4.402207
  Mo     -3.605630     -4.565680      3.614413
  N      -1.785831     -5.311812      4.223957
  C      -0.892531     -6.074343      3.349951
  C      -1.643308     -6.451043      2.072587
  H      -0.564588     -6.977246      3.890979
  H       0.001644     -5.478248      3.102026
  H      -1.302368     -7.426138      1.692523
  H      -1.471486     -5.704219      1.292765
  H      -4.764095     -8.178424      4.839763
  H      -3.267034     -7.328844      5.302735
  H      -4.133908     -8.344499      2.577511
  H      -2.508875     -8.340170      3.312117
  H      -2.908450     -5.022735     -0.255221
  H      -4.572489     -4.522732      0.115322
  H      -3.668868     -7.160855      0.437113
  H      -5.083524     -6.486834      1.550892
  C      -2.565533     -2.917555      1.317470
  C      -2.228153     -2.480303      0.018142
  C      -1.607440     -1.252652     -0.147178
  C      -1.347084     -0.424669      0.962924
  C      -1.670313     -0.840727      2.243735
  C      -2.238780     -2.114516      2.444680
  N      -2.648881     -2.611124      3.678972
  C      -2.112362     -2.041165      4.792843
  C      -0.762813     -1.659640      5.040311
  O      -0.346055     -1.003516      5.973293
  Cl      0.500271     -2.427498      3.907068
  C      -5.994525     -5.868067      4.856501
  C      -6.784136     -6.737971      5.626076
  C      -8.083357     -6.368750      5.977324
  C      -8.616760     -5.148523      5.556567
  C      -7.835672     -4.260941      4.811495
  C      -6.519241     -4.592194      4.489407
  N      -5.639550     -3.758548      3.725678
  C      -6.013585     -2.461860      3.623466
  C      -5.671215     -1.648411      2.509200
  O      -5.261919     -1.959214      1.410786
  Cl     -6.040863      0.119479      2.860516
  C      -1.414750     -5.139092      5.514152
  C      -0.145477     -5.481647      6.052893
  C       0.140072     -5.194311      7.371451
  C      -0.806886     -4.536285      8.194254
  C      -2.054563     -4.217815      7.705308
  C      -2.406520     -4.555742      6.376170
  N      -3.603129     -4.243957      5.786386
  C      -4.685995     -3.869422      6.509025
  C      -5.070756     -4.463889      7.747754
  O      -4.663605     -5.448883      8.326887
  Cl     -6.526572     -3.555437      8.440776
  H      -2.483882     -3.078274     -0.855178
  H      -1.351947     -0.909286     -1.150896
  H      -0.905649      0.561427      0.813392
  H      -1.512916     -0.181520      3.095775
  H      -2.765724     -1.915060      5.655389
  H      -6.383696     -7.692783      5.965195
  H      -8.687893     -7.048670      6.579536
  H      -9.644364     -4.883443      5.806665
  H      -8.266534     -3.324214      4.459892
  H      -6.694111     -2.044792      4.365492
  H       0.619985     -5.923578      5.417011
  H       1.124665     -5.438614      7.773703
  H      -0.536971     -4.255550      9.212854
  H      -2.762448     -3.664987      8.319955
  H      -5.357201     -3.134046      6.081194
  N      -5.214869     -5.327195      2.223093
  N      -6.243859     -5.626236      1.495167
  H      -5.986387     -6.066702      0.583667
74
Coordinates from ORCA-job orca E -7353.005650578663
  N      -3.200591     -4.074511      1.624082
  C      -3.643197     -4.966321      0.539965
  C      -3.924914     -6.362788      1.161337
  N      -3.085814     -6.509905      2.384258
  C      -3.420172     -7.749176      3.165990
  C      -4.057651     -7.400168      4.532024
  N      -4.736022     -6.125558      4.403584
  Mo     -3.610791     -4.565032      3.610047
  N      -1.785144     -5.312398      4.226070
  C      -0.889748     -6.073225      3.354166
  C      -1.634850     -6.452022      2.075268
  H      -0.561673     -6.975492      3.896553
  H       0.005380     -5.477671      3.107674
  H      -1.291130     -7.427099      1.697069
  H      -1.463291     -5.705272      1.295357
  H      -4.764227     -8.185574      4.834367
  H      -3.270872     -7.331977      5.301227
  H      -4.126994     -8.345238      2.572278
  H      -2.506537     -8.338368      3.317365
  H      -2.889306     -5.035430     -0.261186
  H      -4.556264     -4.538088      0.098254
  H      -3.643321     -7.168343      0.435663
  H      -5.048275     -6.486301      1.545453
  C      -2.559924     -2.920314      1.308785
  C      -2.218409     -2.483068      0.009133
  C      -1.601283     -1.254235     -0.154786
  C      -1.347711     -0.423864      0.956197
  C      -1.673896     -0.838972      2.235792
  C      -2.239570     -2.114474      2.436851
  N      -2.647082     -2.610932      3.670385
  C      -2.107668     -2.042674      4.784291
  C      -0.759406     -1.661811      5.030883
  O      -0.338310     -1.011138      5.965256
  Cl      0.504550     -2.424766      3.885555
  C      -5.997946     -5.872011      4.858272
  C      -6.787798     -6.744611      5.627335
  C      -8.085257     -6.377224      5.982704
  C      -8.620796     -5.154741      5.568385
  C      -7.842061     -4.265052      4.825331
  C      -6.525148     -4.593692      4.498332
  N      -5.651389     -3.753543      3.736643
  C      -6.028028     -2.459587      3.636202
  C      -5.677994     -1.643253      2.524198
  O      -5.258219     -1.950025      1.430104
  Cl     -6.054619      0.124578      2.879197
  C      -1.417553     -5.139900      5.516069
  C      -0.148811     -5.484708      6.056765
  C       0.135979     -5.197802      7.375136
  C      -0.810946     -4.538437      8.197538
  C      -2.057392     -4.218724      7.707449
  C      -2.408599     -4.556018      6.377550
  N      -3.602517     -4.242259      5.787901
  C      -4.685357     -3.863444      6.506939
  C      -5.076442     -4.458978      7.743475
  O      -4.674039     -5.444121      8.323912
  Cl     -6.532492     -3.543053      8.433080
  H      -2.470066     -3.083554     -0.863834
  H      -1.343343     -0.911040     -1.158088
  H      -0.908765      0.563568      0.807310
  H      -1.520444     -0.178499      3.087706
  H      -2.758378     -1.922821      5.649662
  H      -6.385928     -7.700528      5.961912
  H      -8.687547     -7.060171      6.584069
  H      -9.647648     -4.890088      5.822271
  H      -8.274874     -3.327009      4.479560
  H      -6.715202     -2.046178      4.373979
  H       0.616333     -5.927289      5.420870
  H       1.120455     -5.442693      7.777636
  H      -0.541250     -4.257203      9.216149
  H      -2.765427     -3.665118      8.321429
  H      -5.352454     -3.125984      6.076300
  N      -5.243442     -5.308235      2.215160
  N      -6.260563     -5.580270      1.514472
  H      -6.020454     -6.020114      0.591924
74
Coordinates from ORCA-job orca E -7353.030507096565
  N      -3.195801     -4.076747      1.613220
  C      -3.628210     -4.976725      0.531573
  C      -3.906401     -6.369574      1.151166
  N      -3.079007     -6.513826      2.378629
  C      -3.418980     -7.748731      3.165577
  C      -4.060703     -7.401848      4.529648
  N      -4.741774     -6.130874      4.404242
  Mo     -3.616801     -4.564766      3.605266
  N      -1.786975     -5.312543      4.227990
  C      -0.888836     -6.071512      3.359172
  C      -1.627722     -6.452477      2.078838
  H      -0.560560     -6.972947      3.903017
  H       0.007136     -5.476359      3.114473
  H      -1.280824     -7.427416      1.702619
  H      -1.456039     -5.705848      1.298924
  H      -4.763797     -8.191763      4.829339
  H      -3.274423     -7.334305      5.299762
  H      -4.120929     -8.346072      2.567395
  H      -2.505435     -8.336672      3.322612
  H      -2.870167     -5.047153     -0.264833
  H      -4.540935     -4.554894      0.082007
  H      -3.617808     -7.176313      0.433856
  H      -5.007638     -6.486922      1.534166
  C      -2.556138     -2.924184      1.301054
  C      -2.210637     -2.486571      0.001325
  C      -1.597847     -1.256215     -0.161344
  C      -1.351402     -0.423051      0.950031
  C      -1.680270     -0.837440      2.228266
  C      -2.242464     -2.115031      2.429455
  N      -2.647160     -2.611769      3.661678
  C      -2.105586     -2.045851      4.775865
  C      -0.758331     -1.666024      5.021543
  O      -0.331575     -1.021763      5.957166
  Cl      0.504830     -2.424602      3.863984
  C      -5.999703     -5.875273      4.859786
  C      -6.790213     -6.750568      5.628353
  C      -8.085498     -6.385111      5.987817
  C      -8.623047     -5.160136      5.580144
  C      -7.846678     -4.268464      4.839483
  C      -6.529056     -4.594424      4.507349
  N      -5.661501     -3.748910      3.748593
  C      -6.039280     -2.456846      3.649533
  C      -5.679490     -1.637368      2.541275
  O      -5.247717     -1.939515      1.451581
  Cl     -6.061783      0.130023      2.900239
  C      -1.421490     -5.140662      5.517634
  C      -0.153364     -5.487913      6.059998
  C       0.130998     -5.201217      7.378066
  C      -0.815438     -4.540163      8.200044
  C      -2.060628     -4.218931      7.708943
  C      -2.411092     -4.555829      6.378462
  N      -3.602279     -4.240219      5.788166
  C      -4.684498     -3.856845      6.504099
  C      -5.081112     -4.452897      7.739032
  O      -4.683340     -5.438049      8.321049
  Cl     -6.536615     -3.529781      8.425377
  H      -2.457741     -3.089545     -0.871220
  H      -1.337746     -0.913086     -1.164086
  H      -0.915698      0.565797      0.801432
  H      -1.531300     -0.175835      3.080115
  H      -2.753569     -1.932828      5.644143
  H      -6.387149     -7.707563      5.958194
  H      -8.685679     -7.070862      6.588130
  H      -9.648972     -4.896089      5.837959
  H      -8.281193     -3.329105      4.499830
  H      -6.733327     -2.045980      4.382060
  H       0.611252     -5.931383      5.424312
  H       1.115199     -5.446756      7.780692
  H      -0.545663     -4.258319      9.218379
  H      -2.768577     -3.664282      8.322026
  H      -5.347790     -3.117514      6.071098
  N      -5.271350     -5.287944      2.205296
  N      -6.272359     -5.536746      1.529066
  H      -6.046842     -5.976115      0.596081
74
Coordinates from ORCA-job orca E -7353.051814666671
  N      -3.192324     -4.080808      1.604231
  C      -3.613323     -4.987473      0.524200
  C      -3.888289     -6.377770      1.139132
  N      -3.073534     -6.517625      2.373689
  C      -3.418739     -7.748343      3.164909
  C      -4.063474     -7.402947      4.527153
  N      -4.746212     -6.134883      4.404064
  Mo     -3.623562     -4.564845      3.600415
  N      -1.790832     -5.312328      4.230467
  C      -0.889399     -6.069139      3.365314
  C      -1.621716     -6.452019      2.083601
  H      -0.560767     -6.969732      3.910412
  H       0.007321     -5.474173      3.122773
  H      -1.271137     -7.426576      1.709212
  H      -1.449576     -5.705331      1.303961
  H      -4.762938     -8.197299      4.824300
  H      -3.277849     -7.336233      5.298262
  H      -4.115790     -8.347189      2.562580
  H      -2.505565     -8.335412      3.327345
  H      -2.849525     -5.057043     -0.266069
  H      -4.525359     -4.572954      0.065225
  H      -3.591728     -7.184872      0.430662
  H      -4.963640     -6.489773      1.515697
  C      -2.553642     -2.929225      1.294171
  C      -2.204565     -2.491359     -0.005456
  C      -1.596775     -1.259067     -0.167446
  C      -1.357753     -0.422651      0.943668
  C      -1.688964     -0.836427      2.220721
  C      -2.246876     -2.116306      2.422239
  N      -2.648451     -2.613660      3.653186
  C      -2.105010     -2.049922      4.767428
  C      -0.758357     -1.671238      5.011638
  O      -0.324917     -1.033796      5.948198
  Cl      0.502561     -2.426437      3.842068
  C      -6.000490     -5.878049      4.861116
  C      -6.791783     -6.756379      5.628601
  C      -8.084890     -6.393138      5.992257
  C      -8.624164     -5.165444      5.591863
  C      -7.849873     -4.271458      4.854270
  C      -6.531466     -4.594561      4.516985
  N      -5.669800     -3.744303      3.762140
  C      -6.047923     -2.453387      3.664152
  C      -5.676366     -1.629874      2.561751
  O      -5.230353     -1.926066      1.476752
  Cl     -6.064525      0.136403      2.925296
  C      -1.426199     -5.141431      5.519533
  C      -0.158784     -5.491410      6.063381
  C       0.125373     -5.204546      7.381046
  C      -0.820188     -4.541221      8.202478
  C      -2.064076     -4.218112      7.710391
  C      -2.413770     -4.554985      6.379506
  N      -3.602132     -4.237554      5.787783
  C      -4.683170     -3.849117      6.501509
  C      -5.084489     -4.445157      7.735285
  O      -4.691279     -5.430470      8.318977
  Cl     -6.538467     -3.514925      8.418956
  H      -2.446801     -3.097015     -0.877394
  H      -1.334919     -0.916107     -1.169661
  H      -0.926044      0.567740      0.794833
  H      -1.544925     -0.173710      3.072508
  H      -2.749820     -1.943966      5.638880
  H      -6.387608     -7.714568      5.953126
  H      -8.683178     -7.081771      6.591001
  H      -9.649092     -4.902240      5.853694
  H      -8.285705     -3.330559      4.521248
  H      -6.749699     -2.044707      4.390256
  H       0.605188     -5.936161      5.428213
  H       1.109174     -5.450821      7.783791
  H      -0.550049     -4.258516      9.220296
  H      -2.771692     -3.661987      8.322300
  H      -5.342940     -3.107913      6.066793
  N      -5.298759     -5.266417      2.193045
  N      -6.284364     -5.496961      1.535005
  H      -6.069777     -5.936325      0.592304
74
Coordinates from ORCA-job orca E -7353.069647629175
  N      -3.189726     -4.086755      1.597036
  C      -3.597660     -4.998236      0.517373
  C      -3.870239     -6.387201      1.124992
  N      -3.069284     -6.521133      2.369426
  C      -3.419361     -7.748111      3.163674
  C      -4.065909     -7.403683      4.524372
  N      -4.749379     -6.137672      4.402959
  Mo     -3.631004     -4.565265      3.595713
  N      -1.796365     -5.311740      4.233940
  C      -0.891120     -6.066026      3.372664
  C      -1.616607     -6.450391      2.089581
  H      -0.561947     -6.965882      3.918651
  H       0.006247     -5.470967      3.132670
  H      -1.261808     -7.424210      1.716615
  H      -1.443700     -5.703288      1.310659
  H      -4.761766     -8.202301      4.819018
  H      -3.281151     -7.338140      5.296641
  H      -4.111699     -8.348576      2.557619
  H      -2.506823     -8.334866      3.330925
  H      -2.826055     -5.064576     -0.264977
  H      -4.508185     -4.591969      0.046761
  H      -3.564343     -7.194002      0.425515
  H      -4.919627     -6.495343      1.490632
  C      -2.551842     -2.935620      1.288034
  C      -2.199656     -2.497854     -0.011414
  C      -1.597438     -1.263246     -0.173420
  C      -1.366093     -0.423116      0.936785
  C      -1.699282     -0.836269      2.212951
  C      -2.252124     -2.118515      2.415062
  N      -2.650189     -2.616698      3.645048
  C      -2.104745     -2.054463      4.758754
  C      -0.758236     -1.676987      5.000551
  O      -0.317298     -1.046352      5.937577
  Cl      0.499128     -2.430155      3.819436
  C      -6.000717     -5.880558      4.862340
  C      -6.792589     -6.762519      5.627744
  C      -8.083797     -6.401936      5.995789
  C      -8.624483     -5.171338      5.603624
  C      -7.851893     -4.274364      4.869963
  C      -6.532760     -4.594346      4.527626
  N      -5.676239     -3.739448      3.777629
  C      -6.054576     -2.449252      3.680569
  C      -5.669716     -1.619948      2.586668
  O      -5.206977     -1.907955      1.506837
  Cl     -6.065813      0.144062      2.956036
  C      -1.431488     -5.142105      5.522213
  C      -0.164897     -5.495145      6.067403
  C       0.119212     -5.207620      7.384555
  C      -0.825107     -4.541297      8.205251
  C      -2.067629     -4.215881      7.712191
  C      -2.416572     -4.553205      6.381086
  N      -3.601904     -4.233974      5.787140
  C      -4.681356     -3.839867      6.499450
  C      -5.086940     -4.435417      7.732321
  O      -4.698420     -5.421132      8.317712
  Cl     -6.538571     -3.498131      8.413672
  H      -2.436771     -3.106394     -0.882575
  H      -1.334255     -0.920654     -1.175243
  H      -0.939085      0.568972      0.787161
  H      -1.560539     -0.172376      3.064635
  H      -2.745625     -1.955522      5.633817
  H      -6.387273     -7.722102      5.946108
  H      -8.680408     -7.093776      6.592250
  H      -9.648421     -4.909288      5.869554
  H      -8.288664     -3.331580      4.544292
  H      -6.765481     -2.043296      4.399014
  H       0.598375     -5.941690      5.433113
  H       1.102515     -5.454736      7.787480
  H      -0.554291     -4.257384      9.222331
  H      -2.774607     -3.657715      8.322670
  H      -5.337772     -3.096689      6.063548
  N      -5.326378     -5.243696      2.178554
  N      -6.300749     -5.461535      1.530394
  H      -6.092592     -5.901596      0.579470
74
Coordinates from ORCA-job orca E -7353.084304727396
  N      -3.187539     -4.094542      1.591583
  C      -3.580763     -5.008756      0.510895
  C      -3.851966     -6.397542      1.109146
  N      -3.065957     -6.524334      2.365805
  C      -3.420638     -7.748132      3.161653
  C      -4.067801     -7.404102      4.521174
  N      -4.751145     -6.139192      4.400710
  Mo     -3.638956     -4.566081      3.591232
  N      -1.803286     -5.310795      4.238519
  C      -0.893659     -6.062325      3.381109
  C      -1.612034     -6.447847      2.096597
  H      -0.563884     -6.961549      3.927720
  H       0.004276     -5.466879      3.144107
  H      -1.252559     -7.420538      1.724498
  H      -1.437954     -5.699921      1.318918
  H      -4.760410     -8.206532      4.813397
  H      -3.284154     -7.340225      5.294816
  H      -4.108902     -8.350075      2.552542
  H      -2.509052     -8.335433      3.332735
  H      -2.799498     -5.069681     -0.261906
  H      -4.488698     -4.611443      0.026461
  H      -3.535768     -7.203627      0.418348
  H      -4.880159     -6.503180      1.461934
  C      -2.550180     -2.943487      1.282546
  C      -2.195412     -2.506247     -0.016756
  C      -1.599266     -1.269012     -0.179500
  C      -1.375697     -0.424721      0.929188
  C      -1.710381     -0.837151      2.204801
  C      -2.257420     -2.121810      2.407809
  N      -2.651510     -2.620977      3.637237
  C      -2.103653     -2.059288      4.749614
  C      -0.756812     -1.683072      4.988009
  O      -0.307996     -1.058816      5.924957
  Cl      0.496089     -2.435723      3.796314
  C      -6.000481     -5.882984      4.863246
  C      -6.792423     -6.769377      5.625310
  C      -8.082267     -6.412142      5.997788
  C      -8.624169     -5.178627      5.614784
  C      -7.852943     -4.277730      4.886037
  C      -6.533171     -4.594144      4.539012
  N      -5.680669     -3.734281      3.794736
  C      -6.059806     -2.444799      3.698594
  C      -5.660810     -1.607130      2.616187
  O      -5.178832     -1.883953      1.542162
  Cl     -6.069026      0.152927      2.993035
  C      -1.437200     -5.142590      5.525867
  C      -0.171561     -5.498996      6.072278
  C       0.112593     -5.210231      7.388817
  C      -0.830150     -4.540143      8.208542
  C      -2.071240     -4.211990      7.714534
  C      -2.419480     -4.550314      6.383403
  N      -3.601510     -4.229306      5.786443
  C      -4.679116     -3.828942      6.497879
  C      -5.088894     -4.423651      7.729982
  O      -4.705290     -5.410022      8.316982
  Cl     -6.537577     -3.479483      8.409096
  H      -2.427243     -3.117758     -0.887060
  H      -1.335271     -0.927022     -1.181156
  H      -0.954054      0.569246      0.778195
  H      -1.577168     -0.171947      3.056298
  H      -2.739737     -1.967033      5.628760
  H      -6.385801     -7.730540      5.936654
  H      -8.677390     -7.107714      6.591129
  H      -9.647268     -4.918214      5.884731
  H      -8.290431     -3.332764      4.568424
  H      -6.781801     -2.042972      4.408018
  H       0.591020     -5.947908      5.439270
  H       1.095340     -5.458284      7.792049
  H      -0.558333     -4.254626      9.224708
  H      -2.777261     -3.651157      8.323372
  H      -5.332221     -3.083601      6.061224
  N      -5.355037     -5.219640      2.162762
  N      -6.323335     -5.428868      1.517315
  H      -6.117778     -5.870298      0.560602
74
Coordinates from ORCA-job orca E -7353.096215370362
  N      -3.185341     -4.103836      1.587932
  C      -3.562979     -5.018798      0.505150
  C      -3.833743     -6.408235      1.092898
  N      -3.063254     -6.527359      2.363004
  C      -3.422435     -7.748571      3.158926
  C      -4.068804     -7.404246      4.517693
  N      -4.751208     -6.139460      4.397160
  Mo     -3.647038     -4.567371      3.587082
  N      -1.811076     -5.309607      4.244188
  C      -0.896536     -6.058446      3.390458
  C      -1.607652     -6.445114      2.104449
  H      -0.566311     -6.957089      3.937679
  H       0.001933     -5.462386      3.156872
  H      -1.243314     -7.416329      1.732554
  H      -1.431923     -5.695985      1.328520
  H      -4.759015     -8.209589      4.807692
  H      -3.286509     -7.342667      5.292932
  H      -4.108050     -8.351377      2.547812
  H      -2.512255     -8.337763      3.332230
  H      -2.771105     -5.072855     -0.257206
  H      -4.467261     -4.630554      0.005525
  H      -3.507669     -7.213554      0.409855
  H      -4.849815     -6.511799      1.434131
  C      -2.548226     -2.952606      1.277686
  C      -2.191692     -2.516244     -0.021643
  C      -1.602044     -1.276134     -0.185841
  C      -1.385943     -0.427339      0.920811
  C      -1.721274     -0.838972      2.196257
  C      -2.261847     -2.126105      2.400505
  N      -2.651311     -2.626483      3.629821
  C      -2.100459     -2.064248      4.739985
  C      -0.752852     -1.689146      4.973979
  O      -0.296311     -1.070406      5.910301
  Cl      0.495130     -2.442298      3.772789
  C      -5.999670     -5.885556      4.863401
  C      -6.791021     -6.777273      5.620722
  C      -8.080367     -6.424354      5.997081
  C      -8.623499     -5.188241      5.623610
  C      -7.853327     -4.282355      4.900790
  C      -6.532869     -4.594516      4.550093
  N      -5.682851     -3.729017      3.812373
  C      -6.064238     -2.440713      3.716831
  C      -5.650874     -1.592014      2.648739
  O      -5.146973     -1.854714      1.581547
  Cl     -6.077484      0.162121      3.033792
  C      -1.442967     -5.142906      5.530577
  C      -0.178398     -5.502911      6.078102
  C       0.105860     -5.212292      7.393957
  C      -0.835025     -4.537740      8.212489
  C      -2.074653     -4.206477      7.717588
  C      -2.422278     -4.546367      6.386626
  N      -3.600776     -4.223578      5.786015
  C      -4.676434     -3.816584      6.496910
  C      -5.090617     -4.410451      7.728218
  O      -4.712077     -5.397801      8.316478
  Cl     -6.536204     -3.459988      8.404976
  H      -2.418334     -3.130605     -0.891139
  H      -1.338043     -0.934913     -1.187667
  H      -0.970323      0.568725      0.767846
  H      -1.593550     -0.172310      3.047465
  H      -2.730808     -1.978299      5.623721
  H      -6.382818     -7.740050      5.924584
  H      -8.674211     -7.124272      6.586401
  H      -9.646151     -4.930165      5.896992
  H      -8.291580     -3.335140      4.591559
  H      -6.799978     -2.045005      4.415336
  H       0.583576     -5.954746      5.446780
  H       1.088046     -5.461338      7.797650
  H      -0.561886     -4.250222      9.227615
  H      -2.779418     -3.642377      8.324656
  H      -5.326221     -3.068805      6.059937
  N      -5.384670     -5.193425      2.147607
  N      -6.351693     -5.394571      1.501724
  H      -6.147543     -5.837827      0.542048
74
Coordinates from ORCA-job orca E -7353.105977997662
  N      -3.182770     -4.113718      1.585526
  C      -3.544826     -5.028322      0.499941
  C      -3.815866     -6.419112      1.077428
  N      -3.060719     -6.530535      2.360824
  C      -3.424268     -7.749674      3.155642
  C      -4.068507     -7.404090      4.514067
  N      -4.749451     -6.138569      4.392386
  Mo     -3.654710     -4.569023      3.583138
  N      -1.818944     -5.308434      4.250569
  C      -0.899245     -6.055028      3.400173
  C      -1.603105     -6.443134      2.112530
  H      -0.569020     -6.953100      3.948274
  H      -0.000245     -5.458230      3.170372
  H      -1.234046     -7.412681      1.740364
  H      -1.425286     -5.692604      1.338629
  H      -4.757548     -8.211010      4.802440
  H      -3.287629     -7.345172      5.290912
  H      -4.109256     -8.352412      2.543889
  H      -2.515978     -8.342211      3.329274
  H      -2.742322     -5.075195     -0.251827
  H      -4.444520     -4.648545     -0.015305
  H      -3.481419     -7.223997      0.400967
  H      -4.829819     -6.520710      1.409727
  C      -2.545583     -2.962140      1.273179
  C      -2.188097     -2.526934     -0.026376
  C      -1.604863     -1.283929     -0.192530
  C      -1.395331     -0.430610      0.911789
  C      -1.730407     -0.841408      2.187429
  C      -2.264434     -2.130917      2.393150
  N      -2.648818     -2.632672      3.622805
  C      -2.094459     -2.068988      4.730033
  C      -0.745782     -1.694659      4.958943
  O      -0.282415     -1.080105      5.894218
  Cl      0.497455     -2.448530      3.749424
  C      -5.998102     -5.888123      4.862900
  C      -6.787977     -6.785784      5.614607
  C      -8.077629     -6.437938      5.994418
  C      -8.622156     -5.199748      5.630449
  C      -7.852981     -4.288014      4.914008
  C      -6.531929     -4.595421      4.560513
  N      -5.682915     -3.723506      3.829477
  C      -6.068749     -2.437116      3.734238
  C      -5.643033     -1.575536      2.681720
  O      -5.116565     -1.822189      1.621869
  Cl     -6.094313      0.170928      3.074633
  C      -1.448548     -5.143122      5.536099
  C      -0.185155     -5.506725      6.084820
  C       0.099000     -5.213839      7.400038
  C      -0.840043     -4.534511      8.217156
  C      -2.078199     -4.199978      7.721307
  C      -2.425153     -4.541796      6.390599
  N      -3.600054     -4.217218      5.786023
  C      -4.674099     -3.803951      6.496347
  C      -5.093011     -4.397535      7.726549
  O      -4.719164     -5.386139      8.315514
  Cl     -6.536480     -3.442448      8.400493
  H      -2.409992     -3.143726     -0.895286
  H      -1.341671     -0.943603     -1.194878
  H      -0.985951      0.567624      0.756411
  H      -1.607702     -0.173234      3.038266
  H      -2.718384     -1.988841      5.618682
  H      -6.377950     -7.750095      5.910915
  H      -8.670212     -7.142653      6.579225
  H      -9.644731     -4.944580      5.906747
  H      -8.292325     -3.338686      4.613239
  H      -6.820090     -2.049642      4.420536
  H       0.576464     -5.961813      5.455599
  H       1.080613     -5.463888      7.804466
  H      -0.565528     -4.244824      9.231278
  H      -2.781635     -3.632328      8.326556
  H      -5.320765     -3.053655      6.059320
  N      -5.414635     -5.164965      2.134007
  N      -6.384090     -5.355947      1.487828
  H      -6.182463     -5.801077      0.527522
74
Coordinates from ORCA-job orca E -7353.114010770671
  N      -3.179979     -4.123183      1.583585
  C      -3.527179     -5.037641      0.495048
  C      -3.799038     -6.430102      1.064121
  N      -3.058101     -6.534070      2.359300
  C      -3.425715     -7.751523      3.152413
  C      -4.066772     -7.403626      4.510799
  N      -4.746157     -6.136873      4.386750
  Mo     -3.661618     -4.570806      3.579368
  N      -1.826165     -5.307456      4.257275
  C      -0.901471     -6.052448      3.409815
  C      -1.598344     -6.442448      2.120475
  H      -0.571825     -6.949923      3.959232
  H      -0.001967     -5.454850      3.183987
  H      -1.224926     -7.410307      1.747846
  H      -1.418280     -5.690523      1.348582
  H      -4.755966     -8.210613      4.798451
  H      -3.287253     -7.347170      5.289090
  H      -4.112380     -8.353077      2.541481
  H      -2.519766     -8.348669      3.324491
  H      -2.714634     -5.078330     -0.246477
  H      -4.421486     -4.665382     -0.035628
  H      -3.458283     -7.235263      0.393207
  H      -4.817855     -6.529750      1.389281
  C      -2.542626     -2.971072      1.268688
  C      -2.185035     -2.537132     -0.031284
  C      -1.607757     -1.291370     -0.199655
  C      -1.403420     -0.433862      0.902280
  C      -1.737287     -0.843906      2.178439
  C      -2.265148     -2.135579      2.385791
  N      -2.644065     -2.638782      3.616274
  C      -2.086030     -2.073268      4.720266
  C      -0.736172     -1.699254      4.944052
  O      -0.267533     -1.087659      5.878330
  Cl      0.503126     -2.453320      3.727484
  C      -5.995989     -5.890608      4.861658
  C      -6.783641     -6.794484      5.607326
  C      -8.074347     -6.452221      5.989924
  C      -8.620529     -5.212647      5.634825
  C      -7.852395     -4.294489      4.924845
  C      -6.530825     -4.596799      4.569553
  N      -5.681464     -3.717666      3.845042
  C      -6.073708     -2.433855      3.749633
  C      -5.637604     -1.559096      2.712587
  O      -5.088288     -1.789508      1.660841
  Cl     -6.117331      0.178885      3.111525
  C      -1.453762     -5.143225      5.542065
  C      -0.191579     -5.510247      6.092098
  C       0.092266     -5.214971      7.406781
  C      -0.845092     -4.530921      8.222384
  C      -2.081814     -4.193130      7.725525
  C      -2.428122     -4.536961      6.395078
  N      -3.599664     -4.210512      5.786888
  C      -4.672288     -3.791962      6.496993
  C      -5.095300     -4.386216      7.725889
  O      -4.724842     -5.376239      8.314661
  Cl     -6.537576     -3.428570      8.397840
  H      -2.402924     -3.155739     -0.899921
  H      -1.346199     -0.951971     -1.202841
  H      -1.000127      0.566491      0.744282
  H      -1.618746     -0.174267      3.028841
  H      -2.703301     -1.998718      5.613878
  H      -6.371711     -7.760127      5.896600
  H      -8.665612     -7.161978      6.570028
  H      -9.643395     -4.960787      5.913341
  H      -8.293369     -3.343418      4.632261
  H      -6.841578     -2.055978      4.422759
  H       0.569924     -5.968703      5.465219
  H       1.073299     -5.466062      7.812157
  H      -0.569308     -4.239168      9.235647
  H      -2.784000     -3.621995      8.329050
  H      -5.316320     -3.039105      6.060595
  N      -5.444100     -5.134933      2.121892
  N      -6.419185     -5.312225      1.477571
  H      -6.222878     -5.758679      0.517740
74
Coordinates from ORCA-job orca E -7353.120576418741
  N      -3.177199     -4.131549      1.581469
  C      -3.510807     -5.047070      0.490522
  C      -3.783872     -6.440813      1.054171
  N      -3.055204     -6.537799      2.358569
  C      -3.426444     -7.753895      3.149830
  C      -4.063406     -7.402886      4.508448
  N      -4.741548     -6.134900      4.380795
  Mo     -3.667406     -4.572446      3.575855
  N      -1.832105     -5.306664      4.263976
  C      -0.902945     -6.050648      3.419096
  C      -1.593435     -6.442885      2.128144
  H      -0.574389     -6.947523      3.970161
  H      -0.003031     -5.452207      3.197208
  H      -1.216099     -7.409116      1.754995
  H      -1.411358     -5.689631      1.358082
  H      -4.753766     -8.208633      4.796422
  H      -3.285016     -7.348120      5.287814
  H      -4.117136     -8.352936      2.541055
  H      -2.523255     -8.356652      3.318512
  H      -2.689098     -5.083554     -0.241381
  H      -4.399229     -4.681457     -0.054949
  H      -3.439257     -7.247149      0.387958
  H      -4.810283     -6.538359      1.372650
  C      -2.539799     -2.978860      1.264070
  C      -2.182911     -2.546159     -0.036461
  C      -1.610750     -1.297987     -0.207101
  C      -1.409779     -0.436977      0.892608
  C      -1.741481     -0.846444      2.169537
  C      -2.264086     -2.139866      2.378617
  N      -2.637146     -2.644343      3.610345
  C      -2.075533     -2.077231      4.711098
  C      -0.724524     -1.703030      4.929820
  O      -0.251979     -1.093563      5.863320
  Cl      0.511211     -2.456076      3.706703
  C      -5.993181     -5.892927      4.859792
  C      -6.778253     -6.802795      5.599543
  C      -8.070446     -6.466142      5.984249
  C      -8.618435     -5.225820      5.637031
  C      -7.851405     -4.301176      4.933222
  C      -6.529435     -4.598442      4.576927
  N      -5.679007     -3.711572      3.858683
  C      -6.079247     -2.430885      3.762536
  C      -5.634756     -1.543961      2.739655
  O      -5.063597     -1.759271      1.696446
  Cl     -6.144848      0.185384      3.141621
  C      -1.458487     -5.143008      5.548145
  C      -0.197483     -5.513100      6.099640
  C       0.085919     -5.215583      7.413862
  C      -0.849977     -4.527140      8.227936
  C      -2.085306     -4.186289      7.730008
  C      -2.431167     -4.532025      6.399787
  N      -3.599891     -4.203691      5.788857
  C      -4.671606     -3.781769      6.498949
  C      -5.098136     -4.378323      7.725908
  O      -4.729587     -5.369935      8.313397
  Cl     -6.541448     -3.421496      8.396118
  H      -2.397849     -3.165911     -0.905074
  H      -1.351593     -0.959466     -1.211337
  H      -1.012018      0.565265      0.732013
  H      -1.625851     -0.175524      3.019471
  H      -2.686129     -2.008550      5.609621
  H      -6.364660     -7.769525      5.882760
  H      -8.660306     -7.180853      6.559806
  H      -9.641803     -4.977290      5.917110
  H      -8.294489     -3.348793      4.648368
  H      -6.863521     -2.063229      4.422116
  H       0.564034     -5.974817      5.475146
  H       1.066363     -5.467748      7.820276
  H      -0.573147     -4.233583      9.240505
  H      -2.786365     -3.611981      8.331975
  H      -5.313838     -3.026696      6.063651
  N      -5.472009     -5.103770      2.110858
  N      -6.455620     -5.262706      1.472132
  H      -6.268892     -5.709467      0.512550
74
Coordinates from ORCA-job orca E -7353.125963255226
  N      -3.174964     -4.138526      1.578936
  C      -3.496472     -5.056572      0.486623
  C      -3.770710     -6.450700      1.048093
  N      -3.051970     -6.541338      2.358779
  C      -3.426242     -7.756407      3.148319
  C      -4.058497     -7.401967      4.507411
  N      -4.736130     -6.133220      4.375018
  Mo     -3.672016     -4.573722      3.572814
  N      -1.836550     -5.305832      4.270426
  C      -0.903631     -6.049180      3.427903
  C      -1.588555     -6.443687      2.135558
  H      -0.576389     -6.945502      3.980672
  H      -0.003481     -5.449825      3.209678
  H      -1.207648     -7.408331      1.761844
  H      -1.405027     -5.689116      1.367153
  H      -4.750352     -8.205792      4.796615
  H      -3.280967     -7.347581      5.287421
  H      -4.122897     -8.351593      2.542641
  H      -2.526117     -8.365368      3.312060
  H      -2.666588     -5.090894     -0.236447
  H      -4.379090     -4.697096     -0.072507
  H      -3.424727     -7.258964      0.385750
  H      -4.804542     -6.546107      1.359567
  C      -2.537906     -2.985334      1.259413
  C      -2.182618     -2.553713     -0.041823
  C      -1.614643     -1.303587     -0.214752
  C      -1.415002     -0.439933      0.882986
  C      -1.743476     -0.849096      2.160892
  C      -2.261878     -2.143793      2.371861
  N      -2.628614     -2.649222      3.605121
  C      -2.063783     -2.081338      4.702983
  C      -0.711668     -1.706931      4.917309
  O      -0.236342     -1.099476      5.850563
  Cl      0.520838     -2.459118      3.689112
  C      -5.989856     -5.895208      4.857092
  C      -6.772640     -6.810543      5.591177
  C      -8.066613     -6.479330      5.976773
  C      -8.616489     -5.238824      5.635948
  C      -7.850419     -4.308034      4.938128
  C      -6.527860     -4.600369      4.581937
  N      -5.676178     -3.705684      3.870010
  C      -6.085181     -2.428440      3.771949
  C      -5.633379     -1.531719      2.761022
  O      -5.041413     -1.734375      1.726987
  Cl     -6.172782      0.189815      3.162100
  C      -1.462657     -5.142096      5.554046
  C      -0.202717     -5.514743      6.107133
  C       0.080207     -5.215388      7.420953
  C      -0.854537     -4.523208      8.233618
  C      -2.088513     -4.179689      7.734548
  C      -2.434110     -4.526943      6.404447
  N      -3.600699     -4.196796      5.792070
  C      -4.671652     -3.773825      6.502901
  C      -5.099699     -4.374054      7.727828
  O      -4.730459     -5.366716      8.313318
  Cl     -6.545244     -3.421007      8.398207
  H      -2.395923     -3.174100     -0.910449
  H      -1.358671     -0.965803     -1.220160
  H      -1.022075      0.563891      0.719951
  H      -1.629283     -0.177152      3.010327
  H      -2.668105     -2.018986      5.606081
  H      -6.357849     -7.778074      5.869744
  H      -8.655151     -7.198698      6.547950
  H      -9.640583     -4.993500      5.916555
  H      -8.295971     -3.354866      4.660176
  H      -6.884894     -2.070423      4.417866
  H       0.558825     -5.979399      5.484842
  H       1.060056     -5.468625      7.828361
  H      -0.577009     -4.228277      9.245684
  H      -2.788771     -3.602834      8.335169
  H      -5.313355     -3.017135      6.069483
  N      -5.497509     -5.071930      2.100641
  N      -6.492293     -5.207142      1.472190
  H      -6.320426     -5.652949      0.511619
74
Coordinates from ORCA-job orca E -7353.130489576073
  N      -3.173415     -4.144200      1.576069
  C      -3.484398     -5.065718      0.483483
  C      -3.759376     -6.459274      1.045440
  N      -3.048307     -6.544435      2.359781
  C      -3.425022     -7.758844      3.147763
  C      -4.052231     -7.401137      4.507595
  N      -4.730319     -6.132327      4.369856
  Mo     -3.675311     -4.574665      3.570492
  N      -1.839462     -5.304977      4.276587
  C      -0.903493     -6.047903      3.436292
  C      -1.583700     -6.444232      2.142670
  H      -0.577580     -6.943845      3.990486
  H      -0.003249     -5.447613      3.221355
  H      -1.199483     -7.407284      1.768222
  H      -1.399314     -5.688216      1.375904
  H      -4.745173     -8.203069      4.798811
  H      -3.275151     -7.345585      5.287681
  H      -4.128908     -8.349001      2.545624
  H      -2.528104     -8.374188      3.305484
  H      -2.647316     -5.099316     -0.231617
  H      -4.361749     -4.711945     -0.087650
  H      -3.414228     -7.269846      0.385968
  H      -4.799253     -6.552912      1.349378
  C      -2.536836     -2.990784      1.255005
  C      -2.183749     -2.560061     -0.047030
  C      -1.618413     -1.308732     -0.222157
  C      -1.417698     -0.443513      0.873990
  C      -1.742254     -0.852619      2.152967
  C      -2.258308     -2.147822      2.365817
  N      -2.618640     -2.653687      3.600649
  C      -2.050644     -2.085926      4.695792
  C      -0.697543     -1.710521      4.905210
  O      -0.219591     -1.104437      5.837884
  Cl      0.530647     -2.458954      3.670222
  C      -5.985865     -5.897484      4.854182
  C      -6.766889     -6.817441      5.583363
  C      -8.062420     -6.490996      5.969318
  C      -8.614036     -5.250495      5.633683
  C      -7.848788     -4.314414      4.941280
  C      -6.525564     -4.602352      4.585452
  N      -5.673189     -3.700449      3.879494
  C      -6.091393     -2.426762      3.778471
  C      -5.634374     -1.522653      2.776672
  O      -5.024740     -1.715041      1.751099
  Cl     -6.201602      0.191834      3.173586
  C      -1.466333     -5.140413      5.559785
  C      -0.207282     -5.514916      6.114626
  C       0.075154     -5.214109      7.428046
  C      -0.858820     -4.518868      8.239388
  C      -2.091515     -4.173323      7.739095
  C      -2.437092     -4.521874      6.409035
  N      -3.602352     -4.190299      5.796317
  C      -4.673522     -3.769101      6.507781
  C      -5.102727     -4.374851      7.729730
  O      -4.731699     -5.368593      8.312434
  Cl     -6.554149     -3.430119      8.399047
  H      -2.397034     -3.180673     -0.915544
  H      -1.366054     -0.971545     -1.228742
  H      -1.028252      0.561359      0.708859
  H      -1.627653     -0.180105      3.001996
  H      -2.648683     -2.030515      5.603396
  H      -6.351468     -7.785617      5.858477
  H      -8.649700     -7.214448      6.536649
  H      -9.638813     -5.007865      5.914348
  H      -8.296832     -3.360767      4.669524
  H      -6.904534     -2.077452      4.411858
  H       0.554282     -5.982022      5.494229
  H       1.054445     -5.468246      7.836354
  H      -0.580960     -4.222807      9.251079
  H      -2.791272     -3.594484      8.338463
  H      -5.316014     -3.011952      6.076017
  N      -5.519778     -5.040050      2.090869
  N      -6.528182     -5.145638      1.477852
  H      -6.377265     -5.588904      0.514628
74
Coordinates from ORCA-job orca E -7353.134467951013
  N      -3.172971     -4.148849      1.572863
  C      -3.474896     -5.074375      0.480920
  C      -3.749792     -6.466609      1.045532
  N      -3.044207     -6.546945      2.361440
  C      -3.422634     -7.761000      3.148199
  C      -4.045123     -7.400429      4.508865
  N      -4.724862     -6.132422      4.365369
  Mo     -3.677573     -4.575206      3.568914
  N      -1.841017     -5.303650      4.282105
  C      -0.902583     -6.046260      3.444013
  C      -1.578881     -6.443962      2.149282
  H      -0.577662     -6.941922      3.999292
  H      -0.002420     -5.444989      3.231742
  H      -1.191431     -7.405394      1.773981
  H      -1.394318     -5.686383      1.384111
  H      -4.738213     -8.201109      4.802586
  H      -3.268271     -7.341984      5.288645
  H      -4.134107     -8.345562      2.549623
  H      -2.528787     -8.382335      3.299595
  H      -2.631586     -5.108020     -0.227151
  H      -4.347673     -4.725922     -0.100294
  H      -3.407111     -7.279571      0.387864
  H      -4.794268     -6.559569      1.341843
  C      -2.537235     -2.995309      1.250626
  C      -2.187231     -2.565312     -0.052443
  C      -1.623980     -1.313164     -0.230032
  C      -1.420803     -0.446906      0.864670
  C      -1.740518     -0.856152      2.144862
  C      -2.254648     -2.151655      2.360030
  N      -2.608350     -2.657662      3.596547
  C      -2.037849     -2.091171      4.689856
  C      -0.683565     -1.716558      4.897135
  O      -0.204474     -1.113000      5.830770
  Cl      0.542476     -2.468916      3.663195
  C      -5.982114     -5.900162      4.850221
  C      -6.762404     -6.824164      5.574573
  C      -8.059681     -6.502282      5.959031
  C      -8.613020     -5.262045      5.626747
  C      -7.848074     -4.321372      4.939993
  C      -6.523476     -4.604884      4.586059
  N      -5.670662     -3.696553      3.886423
  C      -6.097593     -2.426263      3.780893
  C      -5.634888     -1.517112      2.786457
  O      -5.007512     -1.701431      1.770291
  Cl     -6.226160      0.191757      3.176598
  C      -1.469188     -5.137430      5.564908
  C      -0.210727     -5.512924      6.121482
  C       0.071304     -5.211082      7.434550
  C      -0.862385     -4.513796      8.244855
  C      -2.093991     -4.167059      7.743317
  C      -2.439542     -4.516442      6.413156
  N      -3.604237     -4.183843      5.801354
  C      -4.675119     -3.766049      6.514777
  C      -5.101915     -4.376965      7.735005
  O      -4.725623     -5.370025      8.315637
  Cl     -6.556978     -3.440187      8.407726
  H      -2.401843     -3.186211     -0.920459
  H      -1.375858     -0.976431     -1.237861
  H      -1.034354      0.558805      0.697558
  H      -1.624414     -0.183144      2.993351
  H      -2.631278     -2.041979      5.600700
  H      -6.346687     -7.792716      5.847639
  H      -8.646170     -7.229410      6.522463
  H      -9.638835     -5.022016      5.905969
  H      -8.298599     -3.367697      4.673066
  H      -6.922470     -2.084028      4.402346
  H       0.550821     -5.981868      5.502483
  H       1.050160     -5.465826      7.843570
  H      -0.584594     -4.216956      9.256353
  H      -2.793894     -3.587132      8.341613
  H      -5.319690     -3.009082      6.085578
  N      -5.538634     -5.009726      2.081352
  N      -6.563149     -5.079727      1.489643
  H      -6.440499     -5.518312      0.522240
74
Coordinates from ORCA-job orca E -7353.138143283360
  N      -3.172843     -4.152793      1.570198
  C      -3.467152     -5.081938      0.479122
  C      -3.741757     -6.472379      1.047185
  N      -3.040059     -6.549165      2.363296
  C      -3.419949     -7.763256      3.148705
  C      -4.037993     -7.400651      4.510382
  N      -4.720063     -6.133963      4.361984
  Mo     -3.678612     -4.575881      3.568641
  N      -1.841573     -5.302887      4.287532
  C      -0.901263     -6.045442      3.451565
  C      -1.574294     -6.443510      2.155472
  H      -0.577346     -6.941159      4.007403
  H      -0.001078     -5.443447      3.241674
  H      -1.183936     -7.403335      1.779013
  H      -1.389687     -5.684122      1.392122
  H      -4.730255     -8.200843      4.806939
  H      -3.260844     -7.338387      5.289245
  H      -4.138814     -8.341836      2.553269
  H      -2.528997     -8.390097      3.293837
  H      -2.618350     -5.116091     -0.222637
  H      -4.335784     -4.737811     -0.110462
  H      -3.402680     -7.287378      0.390109
  H      -4.789479     -6.565977      1.335931
  C      -2.536891     -2.999726      1.247525
  C      -2.188996     -2.570439     -0.056357
  C      -1.624556     -1.318904     -0.235767
  C      -1.416193     -0.453032      0.858122
  C      -1.732304     -0.862304      2.139267
  C      -2.248744     -2.156506      2.355907
  N      -2.597430     -2.661874      3.593568
  C      -2.023476     -2.096708      4.684276
  C      -0.668894     -1.717255      4.883707
  O      -0.186642     -1.111440      5.814172
  Cl      0.549112     -2.450733      3.632327
  C      -5.977901     -5.903128      4.847532
  C      -6.757843     -6.830187      5.568414
  C      -8.055884     -6.511530      5.952423
  C      -8.610411     -5.271047      5.623292
  C      -7.845800     -4.327115      4.940991
  C      -6.520129     -4.607324      4.587578
  N      -5.668066     -3.694226      3.892909
  C      -6.103923     -2.427286      3.782758
  C      -5.639556     -1.514099      2.793058
  O      -5.000552     -1.691243      1.783127
  Cl     -6.255485      0.188699      3.175460
  C      -1.471932     -5.134547      5.570242
  C      -0.213884     -5.510231      6.128702
  C       0.067663     -5.207462      7.441373
  C      -0.866162     -4.508631      8.250590
  C      -2.096848     -4.161592      7.747761
  C      -2.442570     -4.512048      6.417537
  N      -3.607430     -4.179160      5.806943
  C      -4.680143     -3.767215      6.520683
  C      -5.107945     -4.385684      7.736598
  O      -4.729538     -5.380211      8.313490
  Cl     -6.574657     -3.463633      8.404882
  H      -2.406462     -3.191155     -0.923809
  H      -1.379530     -0.982695     -1.244540
  H      -1.029533      0.552391      0.689822
  H      -1.612448     -0.189703      2.987655
  H      -2.610145     -2.055350      5.599764
  H      -6.342207     -7.799249      5.839576
  H      -8.641640     -7.241484      6.512934
  H      -9.636807     -5.032709      5.901842
  H      -8.298237     -3.373236      4.678569
  H      -6.937728     -2.091661      4.395282
  H       0.547750     -5.980326      5.510739
  H       1.046217     -5.462310      7.851032
  H      -0.588702     -4.210778      9.261873
  H      -2.797038     -3.580775      8.344832
  H      -5.327419     -3.011845      6.092214
  N      -5.553628     -4.981790      2.071697
  N      -6.596087     -5.009350      1.507844
  H      -6.510077     -5.439847      0.535277
74
Coordinates from ORCA-job orca E -7353.141665523214
  N      -3.173504     -4.156137      1.566645
  C      -3.461333     -5.089325      0.477079
  C      -3.735053     -6.477406      1.050078
  N      -3.035275     -6.550751      2.365130
  C      -3.415702     -7.764872      3.150028
  C      -4.030374     -7.400566      4.512503
  N      -4.715930     -6.136036      4.359199
  Mo     -3.678583     -4.575655      3.568350
  N      -1.840395     -5.300341      4.290821
  C      -0.898621     -6.042978      3.457009
  C      -1.569420     -6.442005      2.160207
  H      -0.574745     -6.938383      4.013471
  H       0.001260     -5.440176      3.248114
  H      -1.176120     -7.400352      1.782943
  H      -1.385680     -5.681145      1.398123
  H      -4.720764     -8.201174      4.812060
  H      -3.252920     -7.333117      5.290338
  H      -4.141045     -8.338250      2.557521
  H      -2.527034     -8.396011      3.289778
  H      -2.607949     -5.124392     -0.219378
  H      -4.326614     -4.749282     -0.119259
  H      -3.399977     -7.294334      0.392853
  H      -4.785547     -6.573506      1.332065
  C      -2.538783     -3.002972      1.243200
  C      -2.195175     -2.574245     -0.062125
  C      -1.633241     -1.321996     -0.244676
  C      -1.422208     -0.455071      0.847732
  C      -1.732302     -0.864615      2.130270
  C      -2.245458     -2.159575      2.350230
  N      -2.587737     -2.664856      3.589690
  C      -2.013507     -2.102512      4.680943
  C      -0.657048     -1.730318      4.887448
  O      -0.178429     -1.131637      5.824395
  Cl      0.567431     -2.497239      3.665002
  C      -5.974493     -5.906366      4.842770
  C      -6.755443     -6.836254      5.559521
  C      -8.055061     -6.521213      5.939439
  C      -8.610996     -5.280993      5.610535
  C      -7.845877     -4.334245      4.933706
  C      -6.517674     -4.610335      4.584195
  N      -5.665828     -3.693464      3.895563
  C      -6.109064     -2.429566      3.778316
  C      -5.639210     -1.514621      2.792949
  O      -4.983655     -1.686630      1.793022
  Cl     -6.273310      0.184547      3.165734
  C      -1.472424     -5.128869      5.573221
  C      -0.214198     -5.503498      6.133014
  C       0.067289     -5.199907      7.445318
  C      -0.867164     -4.500910      8.254022
  C      -2.097476     -4.154785      7.750208
  C      -2.443266     -4.505876      6.419858
  N      -3.609017     -4.173295      5.811750
  C      -4.681060     -3.766267      6.528711
  C      -5.102706     -4.388171      7.744716
  O      -4.715474     -5.379366      8.321671
  Cl     -6.569614     -3.471641      8.421212
  H      -2.415422     -3.196018     -0.928149
  H      -1.393202     -0.986038     -1.254753
  H      -1.038851      0.551281      0.677449
  H      -1.610665     -0.191052      2.977629
  H      -2.601257     -2.063272      5.595684
  H      -6.339683     -7.805285      5.830506
  H      -8.641086     -7.253703      6.496358
  H      -9.638860     -5.044917      5.885576
  H      -8.300269     -3.380887      4.673306
  H      -6.951250     -2.098258      4.381046
  H       0.547390     -5.974128      5.515366
  H       1.045897     -5.454223      7.855191
  H      -0.590253     -4.202318      9.265242
  H      -2.798893     -3.574364      8.346461
  H      -5.331796     -3.012176      6.103054
  N      -5.565043     -4.958990      2.061282
  N      -6.627032     -4.937937      1.532665
  H      -6.586755     -5.356800      0.555062
74
Coordinates from ORCA-job orca E -7353.145201372836
  N      -3.174475     -4.158987      1.565011
  C      -3.456352     -5.095367      0.476378
  C      -3.730370     -6.480911      1.053626
  N      -3.031840     -6.552655      2.367141
  C      -3.413084     -7.767186      3.150983
  C      -4.024752     -7.402352      4.514376
  N      -4.713990     -6.140245      4.357811
  Mo     -3.678297     -4.576065      3.569999
  N      -1.839728     -5.299507      4.294399
  C      -0.897014     -6.042812      3.462915
  C      -1.565920     -6.441508      2.165017
  H      -0.573721     -6.938369      4.019605
  H       0.003017     -5.439861      3.255081
  H      -1.170360     -7.398555      1.786665
  H      -1.382529     -5.678986      1.404540
  H      -4.712477     -8.204143      4.816907
  H      -3.246432     -7.329626      5.290629
  H      -4.144122     -8.335294      2.560490
  H      -2.526514     -8.402168      3.285899
  H      -2.598425     -5.131737     -0.214719
  H      -4.318020     -4.758029     -0.125960
  H      -3.399267     -7.299051      0.395241
  H      -4.783113     -6.580790      1.328657
  C      -2.538764     -3.006570      1.241872
  C      -2.196088     -2.578652     -0.064125
  C      -1.630587     -1.328174     -0.248121
  C      -1.413086     -0.462526      0.843953
  C      -1.721119     -0.871771      2.127173
  C      -2.239527     -2.164361      2.348224
  N      -2.579174     -2.668572      3.588335
  C      -2.002445     -2.108470      4.678394
  C      -0.646848     -1.727825      4.878136
  O      -0.167609     -1.123090      5.810945
  Cl      0.571464     -2.458202      3.630307
  C      -5.971710     -5.910493      4.840135
  C      -6.753993     -6.842253      5.554258
  C      -8.053893     -6.529102      5.931723
  C      -8.610416     -5.288275      5.603276
  C      -7.844885     -4.340160      4.930565
  C      -6.514552     -4.613488      4.583071
  N      -5.663808     -3.695133      3.898768
  C      -6.113974     -2.434260      3.773900
  C      -5.642860     -1.518783      2.789632
  O      -4.978149     -1.687149      1.795512
  Cl     -6.295982      0.176273      3.151781
  C      -1.474068     -5.125239      5.576901
  C      -0.215792     -5.498633      6.138221
  C       0.065338     -5.194544      7.450278
  C      -0.870097     -4.495764      8.258368
  C      -2.100067     -4.150920      7.753391
  C      -2.445622     -4.502483      6.422822
  N      -3.612582     -4.170650      5.817031
  C      -4.685421     -3.770803      6.536619
  C      -5.103445     -4.399284      7.749959
  O      -4.710939     -5.390431      8.323649
  Cl     -6.578827     -3.496089      8.427784
  H      -2.420282     -3.200494     -0.929107
  H      -1.392164     -0.992814     -1.258796
  H      -1.026879      0.542653      0.673191
  H      -1.594420     -0.198968      2.974484
  H      -2.585142     -2.077243      5.596600
  H      -6.338282     -7.811484      5.824592
  H      -8.640460     -7.263080      6.486130
  H      -9.639152     -5.053479      5.876110
  H      -8.300332     -3.386918      4.671985
  H      -6.961882     -2.106347      4.369861
  H       0.545901     -5.969137      5.520595
  H       1.044004     -5.448112      7.860472
  H      -0.594070     -4.196448      9.269615
  H      -2.802872     -3.570986      8.348639
  H      -5.340260     -3.018870      6.113215
  N      -5.573393     -4.941026      2.049503
  N      -6.654531     -4.863518      1.563667
  H      -6.669009     -5.265691      0.582035
74
Coordinates from ORCA-job orca E -7353.148669318184
  N      -3.175004     -4.160825      1.562917
  C      -3.450937     -5.100477      0.475036
  C      -3.725752     -6.483332      1.056101
  N      -3.028225     -6.554091      2.367904
  C      -3.409964     -7.768866      3.151134
  C      -4.018834     -7.403868      4.515323
  N      -4.712409     -6.144722      4.356932
  Mo     -3.676812     -4.575656      3.571022
  N      -1.838062     -5.297632      4.295812
  C      -0.894669     -6.042426      3.466880
  C      -1.562209     -6.440877      2.167978
  H      -0.571927     -6.937992      4.024018
  H       0.005776     -5.439895      3.259346
  H      -1.164923     -7.396992      1.788901
  H      -1.379153     -5.677095      1.408752
  H      -4.702572     -8.207633      4.821922
  H      -3.238608     -7.325020      5.288913
  H      -4.145319     -8.332831      2.562088
  H      -2.524925     -8.406649      3.282523
  H      -2.588489     -5.138234     -0.210607
  H      -4.309326     -4.765850     -0.132608
  H      -3.397081     -7.301998      0.396413
  H      -4.780702     -6.588381      1.323691
  C      -2.537754     -3.009323      1.240044
  C      -2.195449     -2.582354     -0.066519
  C      -1.627017     -1.333367     -0.251819
  C      -1.404707     -0.468558      0.839945
  C      -1.711096     -0.877503      2.123759
  C      -2.233206     -2.168272      2.345725
  N      -2.571605     -2.671344      3.586267
  C      -1.993652     -2.112436      4.675658
  C      -0.637898     -1.730657      4.873623
  O      -0.159131     -1.126436      5.807145
  Cl      0.578859     -2.466498      3.630288
  C      -5.967544     -5.913838      4.839714
  C      -6.750734     -6.846406      5.553592
  C      -8.049391     -6.533204      5.931412
  C      -8.605792     -5.290909      5.604015
  C      -7.840370     -4.342894      4.933281
  C      -6.508771     -4.615105      4.584888
  N      -5.660133     -3.697661      3.902295
  C      -6.117523     -2.440349      3.769536
  C      -5.650941     -1.524327      2.783223
  O      -4.983539     -1.688984      1.790888
  Cl     -6.323493      0.165520      3.137109
  C      -1.474598     -5.119418      5.578476
  C      -0.215750     -5.489806      6.141154
  C       0.064832     -5.184255      7.452795
  C      -0.872219     -4.486237      8.259920
  C      -2.102497     -4.144436      7.753985
  C      -2.447952     -4.497887      6.423584
  N      -3.616968     -4.168889      5.819264
  C      -4.693342     -3.778099      6.539383
  C      -5.112016     -4.415110      7.747337
  O      -4.717426     -5.407815      8.317216
  Cl     -6.602511     -3.529761      8.418544
  H      -2.423237     -3.204569     -0.930342
  H      -1.389698     -0.998487     -1.262953
  H      -1.016123      0.535666      0.668814
  H      -1.580497     -0.205180      2.970969
  H      -2.574944     -2.083129      5.594702
  H      -6.334784     -7.815979      5.822486
  H      -8.636480     -7.267404      6.485062
  H      -9.634593     -5.056371      5.876898
  H      -8.295952     -3.389243      4.676491
  H      -6.968284     -2.115482      4.362679
  H       0.546455     -5.959570      5.523527
  H       1.043920     -5.435740      7.863325
  H      -0.597192     -4.185195      9.270950
  H      -2.806776     -3.565162      8.348023
  H      -5.352714     -3.029766      6.116092
  N      -5.578741     -4.929641      2.032677
  N      -6.676115     -4.789072      1.597175
  H      -6.753314     -5.169755      0.613519
74
Coordinates from ORCA-job orca E -7353.151996193696
  N      -3.177152     -4.162733      1.562377
  C      -3.446265     -5.105883      0.474677
  C      -3.722123     -6.486483      1.058867
  N      -3.026046     -6.556428      2.369336
  C      -3.408016     -7.771186      3.152234
  C      -4.015277     -7.406176      4.516638
  N      -4.713408     -6.150305      4.356456
  Mo     -3.676580     -4.575641      3.572532
  N      -1.837867     -5.296706      4.296435
  C      -0.893938     -6.043863      3.470854
  C      -1.559894     -6.441710      2.171216
  H      -0.572299     -6.939359      4.028922
  H       0.007320     -5.442379      3.263573
  H      -1.161503     -7.397304      1.791834
  H      -1.376692     -5.677072      1.412992
  H      -4.694362     -8.212477      4.827278
  H      -3.233376     -7.320654      5.287763
  H      -4.145931     -8.332311      2.563684
  H      -2.524109     -8.410891      3.281967
  H      -2.578906     -5.144482     -0.204904
  H      -4.301535     -4.774466     -0.138302
  H      -3.393133     -7.305040      0.398352
  H      -4.779696     -6.597842      1.317779
  C      -2.539055     -3.011583      1.239395
  C      -2.196418     -2.585664     -0.067557
  C      -1.626345     -1.337548     -0.253971
  C      -1.401703     -0.472808      0.837342
  C      -1.707520     -0.881145      2.121661
  C      -2.231625     -2.170875      2.344486
  N      -2.569453     -2.673731      3.585470
  C      -1.991671     -2.115360      4.675234
  C      -0.636500     -1.730712      4.872724
  O      -0.160292     -1.120880      5.804136
  Cl      0.580860     -2.461131      3.628727
  C      -5.966765     -5.919050      4.836618
  C      -6.752843     -6.853194      5.547420
  C      -8.051807     -6.540837      5.920220
  C      -8.607790     -5.297337      5.591348
  C      -7.840788     -4.348724      4.925979
  C      -6.505924     -4.618540      4.582125
  N      -5.656269     -3.702662      3.904592
  C      -6.116813     -2.448432      3.760874
  C      -5.645876     -1.533017      2.774890
  O      -4.965865     -1.695381      1.791366
  Cl     -6.328890      0.154882      3.120231
  C      -1.475108     -5.114596      5.578845
  C      -0.215643     -5.482029      6.142316
  C       0.064440     -5.175308      7.453793
  C      -0.874393     -4.479013      8.260426
  C      -2.105170     -4.140134      7.753725
  C      -2.449608     -4.494160      6.423163
  N      -3.620516     -4.167950      5.820824
  C      -4.695045     -3.783274      6.548022
  C      -5.101652     -4.422936      7.757852
  O      -4.695219     -5.411074      8.327710
  Cl     -6.585662     -3.537992      8.447703
  H      -2.426197     -3.208711     -0.930318
  H      -1.389260     -1.003217     -1.265389
  H      -1.011580      0.530786      0.665779
  H      -1.574784     -0.208767      2.968534
  H      -2.573050     -2.087255      5.594251
  H      -6.336382     -7.822727      5.815785
  H      -8.641510     -7.275417      6.470677
  H      -9.638025     -5.064344      5.860192
  H      -8.296248     -3.395211      4.668721
  H      -6.971323     -2.122759      4.347819
  H       0.547022     -5.950929      5.524509
  H       1.043943     -5.424833      7.864619
  H      -0.600594     -4.177175      9.271598
  H      -2.811734     -3.562723      8.347181
  H      -5.359157     -3.035647      6.131488
  N      -5.584846     -4.926414      2.011169
  N      -6.693614     -4.719264      1.631298
  H      -6.839484     -5.073846      0.648053
74
Coordinates from ORCA-job orca E -7353.155079723735
  N      -3.178597     -4.163529      1.560956
  C      -3.439027     -5.109885      0.472650
  C      -3.716300     -6.489029      1.058096
  N      -3.024590     -6.558227      2.368538
  C      -3.407505     -7.772871      3.150339
  C      -4.012468     -7.407595      4.514793
  N      -4.714288     -6.154332      4.354057
  Mo     -3.676928     -4.574965      3.571387
  N      -1.838660     -5.295555      4.295686
  C      -0.894242     -6.046326      3.474157
  C      -1.557926     -6.442849      2.173306
  H      -0.575024     -6.941858      4.033681
  H       0.008563     -5.446800      3.267845
  H      -1.159150     -7.398234      1.793713
  H      -1.373458     -5.677474      1.416236
  H      -4.686628     -8.216071      4.830676
  H      -3.227967     -7.315812      5.282493
  H      -4.147194     -8.331544      2.561694
  H      -2.524948     -8.414657      3.279224
  H      -2.565421     -5.148445     -0.198886
  H      -4.290287     -4.782139     -0.147286
  H      -3.382981     -7.306583      0.398048
  H      -4.776364     -6.606502      1.304952
  C      -2.537079     -3.013973      1.238121
  C      -2.191406     -2.590187     -0.068639
  C      -1.617935     -1.343557     -0.255421
  C      -1.392180     -0.478685      0.835405
  C      -1.700206     -0.885474      2.119853
  C      -2.227835     -2.173598      2.342910
  N      -2.568530     -2.675810      3.583938
  C      -1.991802     -2.118522      4.675193
  C      -0.636508     -1.735732      4.876561
  O      -0.163611     -1.124545      5.808859
  Cl      0.585658     -2.477624      3.644606
  C      -5.963540     -5.921806      4.837902
  C      -6.750206     -6.856255      5.549636
  C      -8.046512     -6.541542      5.925656
  C      -8.600793     -5.295239      5.599551
  C      -7.834020     -4.347447      4.935151
  C      -6.498894     -4.618358      4.587983
  N      -5.649935     -3.706324      3.909946
  C      -6.115882     -2.456461      3.756266
  C      -5.652681     -1.540620      2.765445
  O      -4.976538     -1.700667      1.779733
  Cl     -6.355869      0.140650      3.103465
  C      -1.476153     -5.108214      5.577500
  C      -0.215845     -5.471505      6.141875
  C       0.063807     -5.160851      7.452483
  C      -0.876446     -4.464316      8.257206
  C      -2.108096     -4.129582      7.749850
  C      -2.452408     -4.487971      6.420348
  N      -3.625720     -4.167470      5.818655
  C      -4.701309     -3.792248      6.551303
  C      -5.103012     -4.442411      7.756242
  O      -4.694980     -5.435291      8.316984
  Cl     -6.601530     -3.577950      8.445181
  H      -2.422186     -3.213552     -0.930933
  H      -1.378760     -1.010487     -1.266786
  H      -0.998994      0.523682      0.663607
  H      -1.566277     -0.212904      2.966346
  H      -2.575799     -2.088649      5.592510
  H      -6.333608     -7.826682      5.814475
  H      -8.637509     -7.275080      6.476153
  H      -9.630272     -5.061609      5.870756
  H      -8.288397     -3.392760      4.680413
  H      -6.970867     -2.130846      4.342499
  H       0.547594     -5.940308      5.524942
  H       1.043910     -5.407147      7.863862
  H      -0.603242     -4.159077      9.267543
  H      -2.815830     -3.552119      8.341798
  H      -5.371377     -3.047036      6.140261
  N      -5.594166     -4.925002      1.980762
  N      -6.706316     -4.652877      1.655879
  H      -6.919056     -4.978718      0.676027
74
Coordinates from ORCA-job orca E -7353.157901677279
  N      -3.181999     -4.164909      1.560802
  C      -3.431592     -5.114473      0.471357
  C      -3.709746     -6.493121      1.057086
  N      -3.024428     -6.560891      2.368644
  C      -3.408420     -7.775580      3.148772
  C      -4.011307     -7.409581      4.513000
  N      -4.715995     -6.158338      4.350571
  Mo     -3.679572     -4.575447      3.569696
  N      -1.841335     -5.295940      4.295704
  C      -0.896426     -6.051159      3.478961
  C      -1.557074     -6.445364      2.176756
  H      -0.580887     -6.946931      4.040321
  H       0.008517     -5.454174      3.274617
  H      -1.158379     -7.400619      1.796669
  H      -1.370597     -5.679101      1.421158
  H      -4.680978     -8.219678      4.834191
  H      -3.224740     -7.311687      5.277772
  H      -4.149371     -8.332081      2.559657
  H      -2.527434     -8.419653      3.277332
  H      -2.550612     -5.151767     -0.190510
  H      -4.277735     -4.791157     -0.157192
  H      -3.368290     -7.309032      0.398708
  H      -4.772625     -6.616700      1.288554
  C      -2.537610     -3.016480      1.237704
  C      -2.188327     -2.594747     -0.068583
  C      -1.612234     -1.349048     -0.255275
  C      -1.386701     -0.483824      0.835054
  C      -1.697846     -0.889080      2.119445
  C      -2.228660     -2.175730      2.342080
  N      -2.572381     -2.677505      3.582876
  C      -1.996499     -2.119184      4.674332
  C      -0.641969     -1.733997      4.875775
  O      -0.170619     -1.119920      5.806972
  Cl      0.582548     -2.478414      3.647117
  C      -5.962644     -5.926035      4.837166
  C      -6.750672     -6.861794      5.547158
  C      -8.045784     -6.545877      5.923101
  C      -8.598247     -5.297163      5.599074
  C      -7.830705     -4.348788      4.938313
  C      -6.494442     -4.620077      4.591386
  N      -5.643213     -3.711062      3.916025
  C      -6.111924     -2.465031      3.750119
  C      -5.647104     -1.548427      2.758790
  O      -4.960130     -1.704960      1.780623
  Cl     -6.357596      0.130447      3.093655
  C      -1.478084     -5.102864      5.576395
  C      -0.216936     -5.462293      6.141405
  C       0.062561     -5.147059      7.450944
  C      -0.878681     -4.449720      8.253717
  C      -2.111224     -4.118855      7.745997
  C      -2.455771     -4.482042      6.417765
  N      -3.631748     -4.168031      5.817063
  C      -4.705713     -3.801413      6.558792
  C      -5.095662     -4.460755      7.761801
  O      -4.675949     -5.451369      8.318262
  Cl     -6.587139     -3.599285      8.474014
  H      -2.418549     -3.218066     -0.931039
  H      -1.370291     -1.017348     -1.266449
  H      -0.990609      0.517393      0.663176
  H      -1.563357     -0.216468      2.965845
  H      -2.581351     -2.087692      5.590956
  H      -6.334317     -7.833121      5.808885
  H      -8.639047     -7.279055      6.471637
  H      -9.627801     -5.063783      5.870267
  H      -8.284316     -3.393143      4.686007
  H      -6.969412     -2.136672      4.331088
  H       0.547262     -5.931581      5.525815
  H       1.043288     -5.390121      7.862780
  H      -0.605617     -4.140765      9.262980
  H      -2.819835     -3.541092      8.336667
  H      -5.382054     -3.056427      6.157880
  N      -5.611015     -4.924848      1.945987
  N      -6.720026     -4.592816      1.672738
  H      -6.995357     -4.888664      0.699308
74
Coordinates from ORCA-job orca E -7353.160451838484
  N      -3.184738     -4.165651      1.561201
  C      -3.423655     -5.117466      0.470235
  C      -3.703448     -6.495794      1.055211
  N      -3.025608     -6.562355      2.368937
  C      -3.411414     -7.777392      3.146449
  C      -4.011048     -7.410257      4.510686
  N      -4.716952     -6.159932      4.345983
  Mo     -3.682578     -4.575273      3.566937
  N      -1.843753     -5.296713      4.295820
  C      -0.899340     -6.057509      3.483944
  C      -1.557369     -6.448033      2.180428
  H      -0.588928     -6.953935      4.047241
  H       0.008539     -5.464198      3.282036
  H      -1.159831     -7.403297      1.799085
  H      -1.368177     -5.680615      1.426746
  H      -4.677349     -8.220817      4.837335
  H      -3.222372     -7.307392      5.272557
  H      -4.154335     -8.330845      2.557007
  H      -2.532637     -8.424750      3.273824
  H      -2.534922     -5.153656     -0.181159
  H      -4.263392     -4.797707     -0.167937
  H      -3.351627     -7.309479      0.399332
  H      -4.768676     -6.624256      1.268731
  C      -2.535220     -3.019425      1.238098
  C      -2.180791     -2.600601     -0.067458
  C      -1.601263     -1.356152     -0.253999
  C      -1.377216     -0.489934      0.835456
  C      -1.693281     -0.892743      2.119574
  C      -2.227347     -2.177885      2.342044
  N      -2.576052     -2.678485      3.582406
  C      -2.002367     -2.120238      4.675263
  C      -0.647836     -1.737664      4.881555
  O      -0.179059     -1.118867      5.810776
  Cl      0.581471     -2.490434      3.661249
  C      -5.960892     -5.928332      4.837628
  C      -6.749256     -6.865149      5.546620
  C      -8.042898     -6.547689      5.924185
  C      -8.593479     -5.296736      5.602931
  C      -7.825791     -4.347807      4.944372
  C      -6.489341     -4.620434      4.596236
  N      -5.635974     -3.714652      3.921891
  C      -6.110478     -2.473327      3.742768
  C      -5.650613     -1.555832      2.748414
  O      -4.965253     -1.710018      1.769304
  Cl     -6.386134      0.114366      3.071651
  C      -1.478834     -5.097033      5.574809
  C      -0.216803     -5.452841      6.140121
  C       0.063420     -5.131685      7.448058
  C      -0.877980     -4.432198      8.248698
  C      -2.111481     -4.105127      7.741029
  C      -2.457089     -4.474333      6.414715
  N      -3.636005     -4.167740      5.816167
  C      -4.706500     -3.810076      6.569299
  C      -5.082378     -4.481118      7.769496
  O      -4.656462     -5.476281      8.313079
  Cl     -6.579189     -3.637827      8.496232
  H      -2.409654     -3.223571     -0.930457
  H      -1.355379     -1.026626     -1.264917
  H      -0.977934      0.509948      0.663314
  H      -1.559653     -0.219394      2.965450
  H      -2.590700     -2.084913      5.589542
  H      -6.333688     -7.837594      5.805092
  H      -8.637735     -7.280370      6.471595
  H      -9.622610     -5.063086      5.875477
  H      -8.278952     -3.391166      4.695427
  H      -6.970544     -2.143627      4.319149
  H       0.547723     -5.923741      5.526267
  H       1.044837     -5.371553      7.860053
  H      -0.604298     -4.118646      9.256361
  H      -2.820577     -3.526339      8.330360
  H      -5.389945     -3.064962      6.181102
  N      -5.635584     -4.919909      1.908710
  N      -6.735639     -4.534697      1.682335
  H      -7.068216     -4.800176      0.718056
74
Coordinates from ORCA-job orca E -7353.162710660633
  N      -3.188093     -4.166932      1.562218
  C      -3.416906     -5.120082      0.469640
  C      -3.698149     -6.498236      1.053500
  N      -3.027482     -6.563901      2.369958
  C      -3.415357     -7.780082      3.143926
  C      -4.010647     -7.411879      4.508732
  N      -4.716768     -6.161779      4.341091
  Mo     -3.685244     -4.576828      3.563833
  N      -1.844774     -5.298277      4.296809
  C      -0.901662     -6.065438      3.489519
  C      -1.558026     -6.451602      2.184556
  H      -0.597277     -6.962836      4.054729
  H       0.009699     -5.476695      3.289986
  H      -1.162314     -7.406766      1.801004
  H      -1.365923     -5.682568      1.433307
  H      -4.674612     -8.221963      4.840737
  H      -3.219751     -7.305084      5.267675
  H      -4.161268     -8.329435      2.554509
  H      -2.539065     -8.431380      3.268508
  H      -2.521129     -5.155006     -0.172053
  H      -4.250171     -4.803009     -0.177582
  H      -3.334902     -7.309268      0.400318
  H      -4.765660     -6.630889      1.248032
  C      -2.534274     -3.022234      1.239264
  C      -2.175520     -2.605475     -0.065529
  C      -1.593136     -1.361960     -0.251638
  C      -1.370205     -0.495177      0.837267
  C      -1.690496     -0.896284      2.121021
  C      -2.227635     -2.180075      2.342850
  N      -2.580138     -2.679677      3.582570
  C      -2.008037     -2.120246      4.675732
  C      -0.654102     -1.736670      4.883135
  O      -0.185446     -1.116737      5.811501
  Cl      0.576988     -2.494442      3.665992
  C      -5.958308     -5.930484      4.839278
  C      -6.746210     -6.867530      5.548658
  C      -8.038314     -6.548184      5.928965
  C      -8.587125     -5.295474      5.610296
  C      -7.819752     -4.346334      4.952098
  C      -6.483984     -4.621144      4.601350
  N      -5.628281     -3.718956      3.926452
  C      -6.107652     -2.481794      3.731597
  C      -5.646306     -1.564789      2.736394
  O      -4.946033     -1.714918      1.767360
  Cl     -6.386071      0.104351      3.055812
  C      -1.478971     -5.090610      5.574084
  C      -0.216043     -5.441937      6.140242
  C       0.064832     -5.113449      7.446147
  C      -0.876817     -4.410903      8.243899
  C      -2.111396     -4.088786      7.736075
  C      -2.458715     -4.466279      6.412286
  N      -3.641481     -4.169730      5.815854
  C      -4.712844     -3.824986      6.575749
  C      -5.080206     -4.511807      7.769066
  O      -4.642704     -5.506087      8.305139
  Cl     -6.580368     -3.684894      8.511139
  H      -2.402859     -3.227628     -0.929449
  H      -1.343879     -1.034241     -1.262307
  H      -0.967985      0.503535      0.665226
  H      -1.557154     -0.222742      2.966796
  H      -2.597970     -2.082377      5.588915
  H      -6.332019     -7.841121      5.804769
  H      -8.633911     -7.280088      6.476517
  H      -9.615417     -5.060873      5.885275
  H      -8.272869     -3.388782      4.706925
  H      -6.971132     -2.148971      4.300769
  H       0.549067     -5.914728      5.528636
  H       1.047145     -5.349142      7.858375
  H      -0.602292     -4.091034      9.249337
  H      -2.820786     -3.508113      8.323229
  H      -5.404922     -3.082928      6.196184
  N      -5.667195     -4.911857      1.871850
  N      -6.755546     -4.480931      1.687260
  H      -7.140577     -4.716384      0.734850
74
Coordinates from ORCA-job orca E -7353.164699953817
  N      -3.189936     -4.166769      1.564674
  C      -3.411175     -5.120310      0.470904
  C      -3.695277     -6.497580      1.053761
  N      -3.030764     -6.562950      2.372678
  C      -3.420897     -7.780909      3.142138
  C      -4.010677     -7.411917      4.507812
  N      -4.716300     -6.161623      4.336440
  Mo     -3.686855     -4.576996      3.561663
  N      -1.844001     -5.299703      4.298295
  C      -0.904037     -6.073829      3.494721
  C      -1.560316     -6.454171      2.188844
  H      -0.606653     -6.972863      4.061275
  H       0.011513     -5.491057      3.296974
  H      -1.167624     -7.409187      1.801884
  H      -1.365423     -5.682960      1.440542
  H      -4.673499     -8.220861      4.844295
  H      -3.217819     -7.302254      5.264203
  H      -4.171262     -8.324537      2.553221
  H      -2.547473     -8.436953      3.261781
  H      -2.509552     -5.155484     -0.162458
  H      -4.238115     -4.803971     -0.184142
  H      -3.321438     -7.305873      0.403131
  H      -4.764479     -6.632957      1.229130
  C      -2.529148     -3.025051      1.242431
  C      -2.164707     -2.611305     -0.061515
  C      -1.577453     -1.369824     -0.247417
  C      -1.355160     -0.502307      0.840791
  C      -1.681152     -0.900714      2.123992
  C      -2.223150     -2.182411      2.345571
  N      -2.581583     -2.679427      3.584332
  C      -2.012410     -2.119643      4.678754
  C      -0.658620     -1.738451      4.890685
  O      -0.191179     -1.115274      5.817288
  Cl      0.575254     -2.502620      3.678825
  C      -5.956547     -5.931946      4.839082
  C      -6.743945     -6.869993      5.547338
  C      -8.036426     -6.551242      5.926508
  C      -8.584924     -5.298392      5.607971
  C      -7.817611     -4.348071      4.951385
  C      -6.481420     -4.622950      4.601573
  N      -5.623566     -3.722821      3.927289
  C      -6.114065     -2.491720      3.715860
  C      -5.660089     -1.574157      2.717951
  O      -4.962740     -1.720679      1.746374
  Cl     -6.440374      0.080854      3.015429
  C      -1.476365     -5.084787      5.573308
  C      -0.212678     -5.433224      6.139427
  C       0.069738     -5.099309      7.443595
  C      -0.871737     -4.394871      8.240127
  C      -2.107275     -4.076419      7.732746
  C      -2.455985     -4.458925      6.410678
  N      -3.642107     -4.170445      5.818727
  C      -4.709705     -3.835044      6.588610
  C      -5.059652     -4.530817      7.781523
  O      -4.608639     -5.523229      8.309631
  Cl     -6.557578     -3.717207      8.545170
  H      -2.391066     -3.232680     -0.926180
  H      -1.323832     -1.044746     -1.257821
  H      -0.948713      0.494676      0.668799
  H      -1.548192     -0.226571      2.969329
  H      -2.606270     -2.077323      5.589213
  H      -6.330556     -7.843910      5.803258
  H      -8.632457     -7.283349      6.473195
  H      -9.613352     -5.064051      5.882650
  H      -8.271769     -3.390480      4.708791
  H      -6.982694     -2.161396      4.278227
  H       0.552064     -5.908075      5.528961
  H       1.052847     -5.332315      7.855356
  H      -0.596236     -4.070984      9.243974
  H      -2.817955     -3.495776      8.318811
  H      -5.409129     -3.093878      6.221025
  N      -5.704945     -4.896240      1.838072
  N      -6.779737     -4.425462      1.691238
  H      -7.213490     -4.631347      0.753510
74
Coordinates from ORCA-job orca E -7353.166464856169
  N      -3.192032     -4.167815      1.567567
  C      -3.407515     -5.121593      0.473068
  C      -3.694222     -6.497869      1.056103
  N      -3.033830     -6.562915      2.377049
  C      -3.426255     -7.783197      3.142079
  C      -4.010008     -7.413182      4.508942
  N      -4.714975     -6.162707      4.333001
  Mo     -3.685918     -4.579755      3.560117
  N      -1.839984     -5.301561      4.300682
  C      -0.904262     -6.083420      3.500189
  C      -1.562062     -6.458377      2.193646
  H      -0.614175     -6.984067      4.068243
  H       0.015853     -5.507732      3.302860
  H      -1.172915     -7.413269      1.802930
  H      -1.364709     -5.684925      1.448304
  H      -4.672260     -8.220471      4.849978
  H      -3.215000     -7.300825      5.262619
  H      -4.182049     -8.320198      2.554153
  H      -2.555741     -8.444211      3.255394
  H      -2.501971     -5.157243     -0.154595
  H      -4.229857     -4.805334     -0.187325
  H      -3.310916     -7.303791      0.407737
  H      -4.765633     -6.635600      1.213834
  C      -2.527740     -3.027182      1.245552
  C      -2.161365     -2.614846     -0.058220
  C      -1.572654     -1.374060     -0.244657
  C      -1.350944     -0.505705      0.842957
  C      -1.678761     -0.902893      2.126070
  C      -2.221746     -2.184220      2.348225
  N      -2.581539     -2.680427      3.586644
  C      -2.014981     -2.120221      4.682401
  C      -0.661716     -1.739312      4.898256
  O      -0.196085     -1.112919      5.823527
  Cl      0.575675     -2.505276      3.689732
  C      -5.953922     -5.932551      4.840572
  C      -6.740047     -6.869639      5.550980
  C      -8.032213     -6.550219      5.931113
  C      -8.580307     -5.297680      5.611683
  C      -7.813679     -4.347780      4.953049
  C      -6.478107     -4.623856      4.601380
  N      -5.617614     -3.726942      3.925360
  C      -6.114699     -2.500627      3.694530
  C      -5.652430     -1.584138      2.699911
  O      -4.928750     -1.723937      1.746454
  Cl     -6.441304      0.069961      2.985430
  C      -1.471384     -5.078005      5.573516
  C      -0.206556     -5.421620      6.139949
  C       0.077235     -5.080463      7.441876
  C      -0.864650     -4.373746      8.236350
  C      -2.101677     -4.061257      7.729314
  C      -2.452063     -4.451570      6.409725
  N      -3.642232     -4.173901      5.821689
  C      -4.711841     -3.851557      6.594737
  C      -5.054714     -4.560161      7.781942
  O      -4.598277     -5.555722      8.299358
  Cl     -6.574388     -3.780014      8.539448
  H      -2.387289     -3.235855     -0.923248
  H      -1.317696     -1.050467     -1.255204
  H      -0.943259      0.490748      0.670724
  H      -1.545933     -0.228180      2.970946
  H      -2.612339     -2.075080      5.590495
  H      -6.327656     -7.843613      5.808277
  H      -8.627683     -7.281454      6.479562
  H      -9.608119     -5.062201      5.887867
  H      -8.268989     -3.390277      4.712794
  H      -6.989467     -2.169184      4.245873
  H       0.558109     -5.898228      5.530650
  H       1.061560     -5.309067      7.853214
  H      -0.588134     -4.043736      9.237925
  H      -2.813907     -3.480022      8.313105
  H      -5.419787     -3.116227      6.231327
  N      -5.746918     -4.879624      1.807363
  N      -6.808081     -4.374984      1.694653
  H      -7.289038     -4.552045      0.774465
74
Coordinates from ORCA-job orca E -7353.168035352708
  N      -3.192200     -4.167126      1.570212
  C      -3.404175     -5.119963      0.474884
  C      -3.693973     -6.494931      1.057809
  N      -3.036870     -6.560091      2.380435
  C      -3.431169     -7.783733      3.139966
  C      -4.008653     -7.413832      4.508034
  N      -4.713827     -6.163612      4.327962
  Mo     -3.683441     -4.581885      3.558339
  N      -1.834747     -5.302661      4.302831
  C      -0.904041     -6.091721      3.504256
  C      -1.563922     -6.459952      2.196731
  H      -0.621741     -6.994679      4.072854
  H       0.021075     -5.524010      3.307136
  H      -1.178525     -7.414241      1.801122
  H      -1.364484     -5.683324      1.455233
  H      -4.670239     -8.219893      4.852830
  H      -3.211579     -7.298900      5.259063
  H      -4.192943     -8.313046      2.552980
  H      -2.563359     -8.449543      3.245228
  H      -2.496173     -5.156594     -0.148963
  H      -4.223285     -4.802434     -0.188660
  H      -3.302540     -7.298334      0.411153
  H      -4.767140     -6.634649      1.198745
  C      -2.520956     -3.029531      1.249577
  C      -2.150109     -2.619674     -0.053617
  C      -1.555340     -1.381819     -0.239893
  C      -1.331761     -0.513796      0.847717
  C      -1.663963     -0.908777      2.130272
  C      -2.213384     -2.187521      2.352178
  N      -2.578358     -2.680837      3.589394
  C      -2.015069     -2.119755      4.686402
  C      -0.662713     -1.738286      4.905307
  O      -0.198251     -1.113510      5.832207
  Cl      0.576976     -2.507692      3.700613
  C      -5.951360     -5.933852      4.840477
  C      -6.734810     -6.870757      5.553327
  C      -8.027002     -6.552381      5.935036
  C      -8.575864     -5.300690      5.615548
  C      -7.810634     -4.350393      4.954983
  C      -6.476096     -4.626314      4.599934
  N      -5.615518     -3.731454      3.920481
  C      -6.126742     -2.512399      3.674012
  C      -5.671594     -1.593659      2.679492
  O      -4.942342     -1.723875      1.729014
  Cl     -6.497974      0.046680      2.947313
  C      -1.465977     -5.072048      5.573841
  C      -0.200433     -5.411643      6.140978
  C       0.083564     -5.065666      7.441480
  C      -0.859593     -4.358618      8.234666
  C      -2.097712     -4.051384      7.727584
  C      -2.448232     -4.446498      6.409169
  N      -3.641449     -4.178205      5.824236
  C      -4.714532     -3.867631      6.596726
  C      -5.050096     -4.582446      7.782270
  O      -4.573592     -5.564861      8.306561
  Cl     -6.562974     -3.804628      8.556708
  H      -2.376997     -3.239945     -0.918913
  H      -1.296847     -1.060389     -1.250210
  H      -0.918992      0.480632      0.675919
  H      -1.529487     -0.234258      2.975060
  H      -2.616238     -2.071484      5.591863
  H      -6.322125     -7.844279      5.811801
  H      -8.620598     -7.283643      6.485420
  H      -9.602922     -5.064600      5.894054
  H      -8.267629     -3.392895      4.718156
  H      -7.006604     -2.187507      4.220334
  H       0.564301     -5.889005      5.532263
  H       1.068745     -5.290575      7.852760
  H      -0.582980     -4.024569      9.234852
  H      -2.812505     -3.471240      8.309419
  H      -5.429563     -3.138633      6.233947
  N      -5.792855     -4.857932      1.776649
  N      -6.839890     -4.324996      1.694367
  H      -7.365509     -4.473647      0.794296
74
Coordinates from ORCA-job orca E -7353.169443222147
  N      -3.192268     -4.166845      1.575279
  C      -3.403808     -5.119258      0.479814
  C      -3.696059     -6.492707      1.064577
  N      -3.039402     -6.557214      2.387726
  C      -3.434827     -7.784255      3.142943
  C      -4.007074     -7.413896      4.511731
  N      -4.713263     -6.164587      4.325984
  Mo     -3.677808     -4.584803      3.560033
  N      -1.826729     -5.304337      4.306402
  C      -0.902289     -6.100716      3.508862
  C      -1.565591     -6.462024      2.201287
  H      -0.627831     -7.006052      4.077820
  H       0.028079     -5.542056      3.310511
  H      -1.184515     -7.415795      1.800624
  H      -1.364998     -5.682231      1.463384
  H      -4.667913     -8.219050      4.859851
  H      -3.208712     -7.295319      5.260795
  H      -4.202579     -8.305980      2.557122
  H      -2.569420     -8.454305      3.240072
  H      -2.495790     -5.157310     -0.143670
  H      -4.222556     -4.800390     -0.183366
  H      -3.298846     -7.294505      0.419177
  H      -4.771178     -6.634460      1.191432
  C      -2.517339     -3.030803      1.254598
  C      -2.146259     -2.622378     -0.049043
  C      -1.548610     -1.386297     -0.236526
  C      -1.322660     -0.518218      0.850817
  C      -1.655132     -0.911816      2.133550
  C      -2.207138     -2.189525      2.356753
  N      -2.572748     -2.681438      3.593633
  C      -2.012311     -2.119523      4.691909
  C      -0.660926     -1.737219      4.914198
  O      -0.199140     -1.110229      5.841067
  Cl      0.582317     -2.505431      3.712167
  C      -5.951454     -5.935402      4.837886
  C      -6.733669     -6.872347      5.551427
  C      -8.027917     -6.556776      5.929216
  C      -8.578078     -5.307199      5.605832
  C      -7.813010     -4.356372      4.944897
  C      -6.477705     -4.630079      4.591321
  N      -5.614315     -3.736057      3.912507
  C      -6.136227     -2.523383      3.649457
  C      -5.674559     -1.601676      2.662034
  O      -4.924969     -1.721074      1.726111
  Cl     -6.538232      0.025835      2.903872
  C      -1.456307     -5.067790      5.575309
  C      -0.189511     -5.403723      6.141549
  C       0.095804     -5.053757      7.440646
  C      -0.848207     -4.347402      8.233940
  C      -2.087962     -4.045166      7.728088
  C      -2.438856     -4.443368      6.410635
  N      -3.634567     -4.182300      5.829551
  C      -4.707584     -3.876812      6.603208
  C      -5.035021     -4.590329      7.791804
  O      -4.557024     -5.574614      8.311272
  Cl     -6.562799     -3.832542      8.557066
  H      -2.375313     -3.242700     -0.913737
  H      -1.289771     -1.066103     -1.247147
  H      -0.907667      0.475231      0.678567
  H      -1.518650     -0.237103      2.977862
  H      -2.617410     -2.068455      5.594600
  H      -6.319752     -7.844314      5.813840
  H      -8.620562     -7.288350      6.480195
  H      -9.605648     -5.071326      5.882706
  H      -8.272109     -3.399625      4.709386
  H      -7.023563     -2.203785      4.185819
  H       0.574382     -5.881504      5.531906
  H       1.082099     -5.275424      7.851024
  H      -0.570924     -4.010617      9.233025
  H      -2.805578     -3.467356      8.309021
  H      -5.425959     -3.151011      6.241330
  N      -5.842784     -4.836528      1.750768
  N      -6.876404     -4.279632      1.696872
  H      -7.447430     -4.400128      0.821033
74
Coordinates from ORCA-job orca E -7353.170712474021
  N      -3.190697     -4.165811      1.579026
  C      -3.403053     -5.117407      0.483246
  C      -3.696412     -6.489836      1.069815
  N      -3.039806     -6.553400      2.393376
  C      -3.436213     -7.784336      3.144211
  C      -4.005249     -7.414057      4.512907
  N      -4.713456     -6.166261      4.321690
  Mo     -3.669625     -4.588602      3.561161
  N      -1.818088     -5.305256      4.309897
  C      -0.899074     -6.107914      3.512975
  C      -1.565046     -6.462260      2.204613
  H      -0.632397     -7.015752      4.081902
  H       0.036521     -5.558278      3.313797
  H      -1.187517     -7.415110      1.798812
  H      -1.363751     -5.678871      1.470658
  H      -4.664614     -8.219162      4.863852
  H      -3.206220     -7.291054      5.260473
  H      -4.208767     -8.299004      2.558617
  H      -2.572677     -8.457631      3.234042
  H      -2.496501     -5.155900     -0.141951
  H      -4.223702     -4.797502     -0.177010
  H      -3.294796     -7.290348      0.425355
  H      -4.773330     -6.634310      1.184321
  C      -2.512473     -3.031242      1.258636
  C      -2.142201     -2.623455     -0.045531
  C      -1.541195     -1.389404     -0.233740
  C      -1.311623     -0.522285      0.853928
  C      -1.643368     -0.915225      2.136819
  C      -2.198156     -2.191942      2.361010
  N      -2.563940     -2.683355      3.597424
  C      -2.006133     -2.121917      4.697659
  C      -0.655470     -1.740437      4.924397
  O      -0.196881     -1.112008      5.852126
  Cl      0.591682     -2.505739      3.724761
  C      -5.950855     -5.936296      4.835612
  C      -6.729707     -6.872118      5.553799
  C      -8.023816     -6.557680      5.933927
  C      -8.575030     -5.309506      5.609018
  C      -7.811883     -4.359538      4.943588
  C      -6.478063     -4.632688      4.584807
  N      -5.615136     -3.741105      3.900521
  C      -6.149050     -2.535142      3.624460
  C      -5.686103     -1.610827      2.641108
  O      -4.918379     -1.718494      1.718947
  Cl     -6.577968      0.006857      2.865941
  C      -1.447459     -5.063935      5.577594
  C      -0.179855     -5.395707      6.144127
  C       0.104490     -5.042585      7.442523
  C      -0.841897     -4.338090      8.235000
  C      -2.082927     -4.041126      7.729217
  C      -2.432149     -4.441824      6.411989
  N      -3.629305     -4.188480      5.831240
  C      -4.707627     -3.890722      6.599790
  C      -5.033771     -4.602906      7.789403
  O      -4.546028     -5.578585      8.316278
  Cl     -6.567769     -3.852794      8.549282
  H      -2.374719     -3.243441     -0.909549
  H      -1.282682     -1.069501     -1.244527
  H      -0.894280      0.470179      0.681543
  H      -1.504129     -0.240898      2.980932
  H      -2.615240     -2.069272      5.597605
  H      -6.313675     -7.842590      5.818467
  H      -8.613831     -7.288633      6.488525
  H      -9.601483     -5.072294      5.888973
  H      -8.272835     -3.402989      4.710959
  H      -7.040154     -2.220597      4.156694
  H       0.584203     -5.872892      5.534054
  H       1.091441     -5.260541      7.853327
  H      -0.565322     -3.999014      9.233514
  H      -2.803720     -3.465798      8.308708
  H      -5.430359     -3.172497      6.231580
  N      -5.894486     -4.816359      1.721260
  N      -6.915706     -4.241366      1.691075
  H      -7.529043     -4.335176      0.841628
74
Coordinates from ORCA-job orca E -7353.171879566304
  N      -3.189504     -4.163993      1.585541
  C      -3.405805     -5.114330      0.489451
  C      -3.697979     -6.486311      1.078089
  N      -3.038932     -6.548796      2.401025
  C      -3.434933     -7.783594      3.148518
  C      -4.003261     -7.413852      4.516294
  N      -4.714272     -6.168009      4.319623
  Mo     -3.658908     -4.592221      3.566878
  N      -1.808956     -5.306203      4.314713
  C      -0.894832     -6.113434      3.517107
  C      -1.563729     -6.460519      2.208315
  H      -0.634761     -7.023873      4.085107
  H       0.045281     -5.571817      3.317117
  H      -1.189278     -7.412082      1.797011
  H      -1.363265     -5.673211      1.478247
  H      -4.660540     -8.220037      4.868786
  H      -3.204845     -7.285771      5.263636
  H      -4.210451     -8.293027      2.562397
  H      -2.572272     -8.458510      3.232832
  H      -2.502737     -5.152304     -0.140383
  H      -4.231052     -4.793642     -0.164589
  H      -3.294573     -7.285995      0.433480
  H      -4.775870     -6.634270      1.183724
  C      -2.509660     -3.030402      1.264341
  C      -2.143164     -2.622129     -0.040879
  C      -1.538669     -1.390198     -0.229923
  C      -1.302226     -0.525380      0.858463
  C      -1.630743     -0.918472      2.141926
  C      -2.189264     -2.193692      2.366920
  N      -2.552810     -2.685298      3.603072
  C      -1.994498     -2.124202      4.703533
  C      -0.644398     -1.741152      4.928561
  O      -0.184999     -1.118712      5.860273
  Cl      0.601313     -2.503255      3.726433
  C      -5.952533     -5.938472      4.831130
  C      -6.729333     -6.874298      5.551350
  C      -8.024903     -6.562784      5.929274
  C      -8.577664     -5.316639      5.600670
  C      -7.815611     -4.366756      4.933117
  C      -6.481566     -4.637431      4.573576
  N      -5.618159     -3.746905      3.887233
  C      -6.161841     -2.546454      3.600901
  C      -5.693550     -1.620039      2.622646
  O      -4.909207     -1.719290      1.714114
  Cl     -6.618399     -0.014447      2.821573
  C      -1.436907     -5.062206      5.581610
  C      -0.168172     -5.390576      6.147019
  C       0.115941     -5.035214      7.444845
  C      -0.832030     -4.332606      8.237174
  C      -2.074595     -4.039706      7.732522
  C      -2.423038     -4.442212      6.415734
  N      -3.621013     -4.194171      5.834279
  C      -4.702824     -3.897550      6.598393
  C      -5.030743     -4.603663      7.790815
  O      -4.542612     -5.576523      8.323100
  Cl     -6.567812     -3.852852      8.542802
  H      -2.381253     -3.241223     -0.904027
  H      -1.282254     -1.069612     -1.241019
  H      -0.881878      0.465804      0.685854
  H      -1.485861     -0.245691      2.986360
  H      -2.603665     -2.072338      5.603507
  H      -6.310033     -7.842530      5.819110
  H      -8.613429     -7.293694      6.485473
  H      -9.604243     -5.079439      5.880255
  H      -8.278882     -3.411103      4.701436
  H      -7.056052     -2.234899      4.128942
  H       0.595545     -5.866871      5.535684
  H       1.103603     -5.250085      7.855573
  H      -0.555455     -3.992157      9.235241
  H      -2.797235     -3.466541      8.311752
  H      -5.425458     -3.182575      6.224082
  N      -5.948787     -4.799467      1.695325
  N      -6.960006     -4.210830      1.686676
  H      -7.614031     -4.279302      0.866472
74
Coordinates from ORCA-job orca E -7353.172982272145
  N      -3.186605     -4.161784      1.592187
  C      -3.408890     -5.110668      0.496066
  C      -3.698558     -6.482739      1.086415
  N      -3.035823     -6.544205      2.407989
  C      -3.431147     -7.782353      3.152702
  C      -4.001405     -7.413196      4.518390
  N      -4.714602     -6.168977      4.316428
  Mo     -3.645349     -4.595475      3.574315
  N      -1.800036     -5.306186      4.319831
  C      -0.889323     -6.116582      3.521070
  C      -1.560374     -6.457515      2.211594
  H      -0.634715     -7.029253      4.088006
  H       0.054384     -5.581257      3.321122
  H      -1.187990     -7.407679      1.795456
  H      -1.361529     -5.666602      1.484884
  H      -4.656649     -8.220921      4.871338
  H      -3.204818     -7.280290      5.266803
  H      -4.207367     -8.288631      2.564874
  H      -2.568689     -8.457643      3.234334
  H      -2.510392     -5.147539     -0.139952
  H      -4.240020     -4.789353     -0.150155
  H      -3.296089     -7.282299      0.440986
  H      -4.777437     -6.634005      1.186593
  C      -2.506400     -3.028964      1.269482
  C      -2.146143     -2.619267     -0.037168
  C      -1.540197     -1.388527     -0.227400
  C      -1.297182     -0.525734      0.861424
  C      -1.620054     -0.919716      2.145833
  C      -2.178980     -2.194796      2.372288
  N      -2.538075     -2.687846      3.608647
  C      -1.978257     -2.129075      4.709884
  C      -0.627109     -1.750955      4.936222
  O      -0.167768     -1.125780      5.866476
  Cl      0.617507     -2.509990      3.732135
  C      -5.953295     -5.939211      4.826390
  C      -6.727498     -6.874100      5.550514
  C      -8.023283     -6.563914      5.929104
  C      -8.577203     -5.319420      5.597204
  C      -7.817072     -4.370797      4.925027
  C      -6.483734     -4.640516      4.562649
  N      -5.622423     -3.752421      3.870297
  C      -6.175835     -2.556895      3.577435
  C      -5.708341     -1.631423      2.598061
  O      -4.912195     -1.725432      1.699871
  Cl     -6.652208     -0.032250      2.781073
  C      -1.426679     -5.060864      5.586736
  C      -0.157440     -5.386272      6.151752
  C       0.124369     -5.030709      7.450159
  C      -0.826760     -4.332273      8.242186
  C      -2.070325     -4.042442      7.737552
  C      -2.415226     -4.443384      6.419730
  N      -3.612335     -4.199389      5.834376
  C      -4.699161     -3.904082      6.592699
  C      -5.029402     -4.603573      7.787690
  O      -4.538807     -5.571282      8.327802
  Cl     -6.571867     -3.854382      8.529122
  H      -2.390558     -3.237211     -0.899360
  H      -1.287997     -1.066317     -1.239025
  H      -0.876119      0.465017      0.687970
  H      -1.470236     -0.248081      2.990272
  H      -2.588034     -2.076015      5.609280
  H      -6.304635     -7.840114      5.820652
  H      -8.610048     -7.293712      6.488563
  H      -9.603242     -5.081461      5.878203
  H      -8.282315     -3.416078      4.693294
  H      -7.068784     -2.245294      4.107203
  H       0.606992     -5.860867      5.539890
  H       1.112014     -5.243156      7.862160
  H      -0.552002     -3.992939      9.241156
  H      -2.795414     -3.473193      8.317580
  H      -5.422536     -3.194006      6.210413
  N      -6.003376     -4.785091      1.668951
  N      -7.006131     -4.188000      1.677069
  H      -7.695312     -4.234690      0.885417
74
Coordinates from ORCA-job orca E -7353.174048428797
  N      -3.184494     -4.159277      1.601875
  C      -3.415298     -5.105942      0.505876
  C      -3.700095     -6.478976      1.097135
  N      -3.031504     -6.540701      2.416080
  C      -3.425277     -7.781608      3.158668
  C      -4.000253     -7.413414      4.521497
  N      -4.714273     -6.169968      4.314794
  Mo     -3.630113     -4.598792      3.586846
  N      -1.792191     -5.306340      4.326473
  C      -0.883267     -6.118052      3.525710
  C      -1.556173     -6.454032      2.215684
  H      -0.632144     -7.032493      4.091274
  H       0.062503     -5.586222      3.326602
  H      -1.184779     -7.402630      1.795230
  H      -1.359952     -5.659852      1.491740
  H      -4.654171     -8.222895      4.873102
  H      -3.206932     -7.276853      5.272741
  H      -4.199572     -8.287488      2.568016
  H      -2.562107     -8.455758      3.240898
  H      -2.522698     -5.140657     -0.138299
  H      -4.253586     -4.783894     -0.130645
  H      -3.301469     -7.278705      0.449370
  H      -4.779426     -6.633360      1.195926
  C      -2.506776     -3.026083      1.276644
  C      -2.155880     -2.613063     -0.031669
  C      -1.549255     -1.382996     -0.222745
  C      -1.296710     -0.523649      0.866919
  C      -1.611056     -0.920070      2.152588
  C      -2.170885     -2.194780      2.379653
  N      -2.521892     -2.690794      3.616441
  C      -1.955134     -2.135549      4.716114
  C      -0.602251     -1.759275      4.934053
  O      -0.135271     -1.144824      5.867918
  Cl      0.631779     -2.514866      3.718496
  C      -5.954771     -5.940610      4.820510
  C      -6.727807     -6.874985      5.546574
  C      -8.024753     -6.566608      5.922587
  C      -8.579901     -5.324153      5.585592
  C      -7.821015     -4.376370      4.910377
  C      -6.486927     -4.644459      4.549216
  N      -5.626973     -3.758145      3.853281
  C      -6.184540     -2.564298      3.557776
  C      -5.713131     -1.642695      2.576453
  O      -4.910474     -1.739985      1.684654
  Cl     -6.675133     -0.049799      2.734142
  C      -1.416540     -5.060282      5.593726
  C      -0.146632     -5.382597      6.157493
  C       0.133517     -5.026181      7.456274
  C      -0.820144     -4.330862      8.247525
  C      -2.064945     -4.043633      7.743324
  C      -2.407322     -4.444395      6.425317
  N      -3.603293     -4.204076      5.834563
  C      -4.695372     -3.907322      6.587018
  C      -5.032658     -4.602602      7.781576
  O      -4.544345     -5.568431      8.328094
  Cl     -6.576022     -3.847982      8.515253
  H      -2.407823     -3.228690     -0.893349
  H      -1.303412     -1.057930     -1.235025
  H      -0.874846      0.466657      0.692740
  H      -1.453378     -0.251169      2.997825
  H      -2.558770     -2.085765      5.619886
  H      -6.301376     -7.838545      5.819841
  H      -8.611065     -7.295277      6.483950
  H      -9.606445     -5.086572      5.865251
  H      -8.288345     -3.423418      4.675849
  H      -7.073836     -2.247114      4.090256
  H       0.618646     -5.855678      5.545425
  H       1.121261     -5.236081      7.869312
  H      -0.546761     -3.992097      9.247112
  H      -2.790851     -3.477093      8.324801
  H      -5.416623     -3.198917      6.197627
  N      -6.057824     -4.775091      1.647823
  N      -7.055327     -4.173094      1.669938
  H      -7.773978     -4.201838      0.904621
74
Coordinates from ORCA-job orca E -7353.175101198611
  N      -3.181302     -4.157224      1.612376
  C      -3.422569     -5.101226      0.517442
  C      -3.701386     -6.475517      1.108713
  N      -3.025667     -6.538778      2.423726
  C      -3.417238     -7.781405      3.164580
  C      -3.999337     -7.413887      4.523565
  N      -4.711887     -6.169783      4.312392
  Mo     -3.613761     -4.601327      3.601925
  N      -1.785950     -5.305899      4.333124
  C      -0.876834     -6.117215      3.530038
  C      -1.550918     -6.450490      2.219634
  H      -0.627017     -7.032547      4.094520
  H       0.069181     -5.585515      3.332701
  H      -1.179088     -7.397549      1.796118
  H      -1.358049     -5.653854      1.497366
  H      -4.653405     -8.224529      4.872270
  H      -3.210571     -7.275450      5.279312
  H      -4.186996     -8.289872      2.570262
  H      -2.552624     -8.453089      3.251026
  H      -2.536464     -5.133778     -0.135767
  H      -4.268046     -4.778072     -0.109012
  H      -3.309323     -7.275779      0.457589
  H      -4.781048     -6.631617      1.209947
  C      -2.506466     -3.024226      1.283653
  C      -2.165552     -2.608230     -0.026491
  C      -1.559676     -1.378222     -0.219155
  C      -1.298629     -0.520924      0.870372
  C      -1.603551     -0.919394      2.157601
  C      -2.162039     -2.194524      2.386054
  N      -2.504117     -2.693154      3.623624
  C      -1.929235     -2.142484      4.721367
  C      -0.572903     -1.773812      4.932276
  O      -0.097794     -1.161773      5.863665
  Cl      0.649334     -2.529740      3.706129
  C      -5.954810     -5.941512      4.813610
  C      -6.727135     -6.875093      5.541252
  C      -8.025169     -6.567784      5.914572
  C      -8.581392     -5.327408      5.572127
  C      -7.823604     -4.380604      4.893877
  C      -6.488660     -4.647988      4.535412
  N      -5.631900     -3.763563      3.834935
  C      -6.193504     -2.569720      3.543983
  C      -5.729690     -1.653076      2.554270
  O      -4.928322     -1.754225      1.661668
  Cl     -6.688712     -0.057783      2.711069
  C      -1.407474     -5.059512      5.601166
  C      -0.137311     -5.378820      6.163869
  C       0.140279     -5.022793      7.463750
  C      -0.816930     -4.332240      8.254244
  C      -2.062622     -4.046730      7.749686
  C      -2.400736     -4.444687      6.430501
  N      -3.594175     -4.206303      5.832348
  C      -4.691248     -3.906572      6.579674
  C      -5.035127     -4.599767      7.772298
  O      -4.550397     -5.565814      8.322575
  Cl     -6.580643     -3.842071      8.499167
  H      -2.424513     -3.221573     -0.887722
  H      -1.321148     -1.050752     -1.232419
  H      -0.877715      0.469484      0.694447
  H      -1.439124     -0.252348      3.003074
  H      -2.526710     -2.092269      5.629082
  H      -6.297832     -7.836368      5.817961
  H      -8.611512     -7.294825      6.477945
  H      -9.608660     -5.090556      5.849964
  H      -8.292299     -3.429583      4.654390
  H      -7.074143     -2.245981      4.087298
  H       0.629726     -5.850038      5.552494
  H       1.127700     -5.230702      7.878460
  H      -0.546312     -3.995984      9.255476
  H      -2.789714     -3.484443      8.333777
  H      -5.409100     -3.197293      6.185419
  N      -6.110592     -4.767715      1.630003
  N      -7.104818     -4.164457      1.661824
  H      -7.843561     -4.181688      0.915746
74
Coordinates from ORCA-job orca E -7353.176124165017
  N      -3.178857     -4.155828      1.624492
  C      -3.431061     -5.096972      0.531204
  C      -3.703071     -6.473011      1.121681
  N      -3.019121     -6.540178      2.431719
  C      -3.408445     -7.783571      3.171035
  C      -3.999868     -7.416207      4.525686
  N      -4.707446     -6.169319      4.310539
  Mo     -3.597375     -4.604969      3.619328
  N      -1.780749     -5.306734      4.340448
  C      -0.869899     -6.116655      3.535125
  C      -1.545085     -6.449558      2.224514
  H      -0.619360     -7.031839      4.099245
  H       0.074625     -5.582067      3.339865
  H      -1.171935     -7.395402      1.799362
  H      -1.355337     -5.651593      1.502793
  H      -4.656771     -8.226304      4.870020
  H      -3.216519     -7.278702      5.287301
  H      -4.171370     -8.297244      2.572377
  H      -2.541885     -8.451725      3.265069
  H      -2.551768     -5.127216     -0.131501
  H      -4.283328     -4.772514     -0.085448
  H      -3.318786     -7.273636      0.466221
  H      -4.782667     -6.628946      1.228103
  C      -2.511023     -3.020903      1.291732
  C      -2.182609     -2.600023     -0.020290
  C      -1.580512     -1.368538     -0.214356
  C      -1.311009     -0.513220      0.874996
  C      -1.603603     -0.915458      2.163856
  C      -2.158071     -2.192282      2.393224
  N      -2.486928     -2.695595      3.631730
  C      -1.899922     -2.151974      4.726347
  C      -0.539185     -1.790866      4.925171
  O      -0.051249     -1.185409      5.853977
  Cl      0.665442     -2.545800      3.681375
  C      -5.953478     -5.941418      4.807154
  C      -6.726423     -6.873276      5.535861
  C      -8.025465     -6.565533      5.905734
  C      -8.581857     -5.327158      5.557028
  C      -7.824223     -4.381826      4.876070
  C      -6.487930     -4.649712      4.522468
  N      -5.632815     -3.768235      3.817865
  C      -6.188925     -2.569447      3.535203
  C      -5.727906     -1.662291      2.535626
  O      -4.939187     -1.779913      1.633002
  Cl     -6.680035     -0.062978      2.681932
  C      -1.399562     -5.058439      5.609515
  C      -0.129437     -5.373614      6.171814
  C       0.145222     -5.016985      7.472750
  C      -0.816194     -4.331139      8.261552
  C      -2.062595     -4.047795      7.755649
  C      -2.395760     -4.443513      6.435309
  N      -3.586555     -4.207852      5.828951
  C      -4.690241     -3.907439      6.570500
  C      -5.042289     -4.605927      7.756270
  O      -4.559560     -5.572477      8.308169
  Cl     -6.590411     -3.847838      8.480211
  H      -2.447714     -3.210400     -0.881759
  H      -1.351608     -1.037830     -1.228815
  H      -0.893543      0.478338      0.697343
  H      -1.432264     -0.250779      3.009894
  H      -2.487190     -2.103357      5.640785
  H      -6.296413     -7.832922      5.816998
  H      -8.612877     -7.290274      6.470910
  H      -9.610201     -5.091023      5.831818
  H      -8.293332     -3.433109      4.629092
  H      -7.057027     -2.232384      4.091107
  H       0.640204     -5.843264      5.562419
  H       1.132249     -5.222367      7.889513
  H      -0.549325     -3.996991      9.264554
  H      -2.791239     -3.489881      8.342015
  H      -5.404339     -3.195702      6.173281
  N      -6.159771     -4.763090      1.616818
  N      -7.153080     -4.160135      1.655296
  H      -7.902692     -4.171810      0.919372
74
Coordinates from ORCA-job orca E -7353.177104240473
  N      -3.177497     -4.155756      1.637115
  C      -3.440770     -5.093803      0.546227
  C      -3.705866     -6.471346      1.135555
  N      -3.012930     -6.543689      2.440035
  C      -3.398633     -7.787453      3.177988
  C      -4.000978     -7.419902      4.527941
  N      -4.701684     -6.168948      4.309000
  Mo     -3.583671     -4.609209      3.636774
  N      -1.776559     -5.308421      4.346971
  C      -0.863206     -6.115648      3.539395
  C      -1.540094     -6.449734      2.229263
  H      -0.609593     -7.029807      4.103535
  H       0.078144     -5.575644      3.345398
  H      -1.164913     -7.394432      1.803253
  H      -1.353765     -5.651074      1.507267
  H      -4.663032     -8.227891      4.866638
  H      -3.223650     -7.285266      5.296313
  H      -4.152930     -8.308898      2.575098
  H      -2.529036     -8.450253      3.281479
  H      -2.568149     -5.122232     -0.125695
  H      -4.299051     -4.767817     -0.061491
  H      -3.328684     -7.271431      0.475222
  H      -4.784475     -6.625599      1.248605
  C      -2.515450     -3.019901      1.300058
  C      -2.196255     -2.596537     -0.013709
  C      -1.596378     -1.364534     -0.209938
  C      -1.319394     -0.509469      0.878246
  C      -1.602561     -0.913173      2.168612
  C      -2.155520     -2.190508      2.399499
  N      -2.474034     -2.695691      3.638611
  C      -1.875316     -2.158538      4.729407
  C      -0.510271     -1.804310      4.914967
  O      -0.008142     -1.208049      5.841574
  Cl      0.675068     -2.563274      3.654631
  C      -5.952250     -5.943102      4.799056
  C      -6.727591     -6.873542      5.526014
  C      -8.028892     -6.565471      5.888901
  C      -8.584805     -5.329104      5.533268
  C      -7.825223     -4.384668      4.852704
  C      -6.486930     -4.653503      4.508071
  N      -5.632307     -3.774316      3.802418
  C      -6.181851     -2.568298      3.536608
  C      -5.736202     -1.667025      2.525619
  O      -4.967562     -1.795107      1.606083
  Cl     -6.654314     -0.052644      2.698299
  C      -1.392243     -5.055985      5.616614
  C      -0.121725     -5.365418      6.178001
  C       0.151199     -5.006964      7.479465
  C      -0.814230     -4.325882      8.266830
  C      -2.061630     -4.045600      7.759806
  C      -2.390641     -4.439897      6.438696
  N      -3.579505     -4.206633      5.825994
  C      -4.687837     -3.903909      6.563804
  C      -5.046454     -4.610582      7.741524
  O      -4.569121     -5.582528      8.288842
  Cl     -6.596305     -3.852514      8.466598
  H      -2.465729     -3.204819     -0.875326
  H      -1.374791     -1.033004     -1.225775
  H      -0.904044      0.482519      0.698158
  H      -1.425022     -0.249972      3.014671
  H      -2.452446     -2.109795      5.650327
  H      -6.299179     -7.832100      5.813123
  H      -8.618611     -7.288406      6.453916
  H      -9.615077     -5.094217      5.802133
  H      -8.292982     -3.437779      4.596422
  H      -7.033646     -2.222104      4.112957
  H       0.650383     -5.833763      5.570593
  H       1.138335     -5.209033      7.897370
  H      -0.551003     -3.993250      9.271343
  H      -2.792468     -3.492409      8.348022
  H      -5.395276     -3.184468      6.168471
  N      -6.207763     -4.759868      1.607402
  N      -7.201836     -4.158299      1.650204
  H      -7.953683     -4.170340      0.915144
74
Coordinates from ORCA-job orca E -7353.178079915219
  N      -3.176704     -4.156987      1.649645
  C      -3.449972     -5.092670      0.561225
  C      -3.709490     -6.471560      1.149874
  N      -3.007091     -6.550087      2.448870
  C      -3.389626     -7.794048      3.185833
  C      -4.004447     -7.425545      4.530804
  N      -4.696114     -6.169273      4.308245
  Mo     -3.571662     -4.616423      3.652127
  N      -1.770612     -5.312860      4.352985
  C      -0.855559     -6.117812      3.543530
  C      -1.535437     -6.453948      2.234311
  H      -0.597830     -7.030344      4.108267
  H       0.082161     -5.572290      3.348797
  H      -1.158920     -7.398158      1.808304
  H      -1.351554     -5.655530      1.511267
  H      -4.674415     -8.229275      4.863052
  H      -3.233259     -7.295679      5.306215
  H      -4.134208     -8.324447      2.578606
  H      -2.516423     -8.450263      3.299939
  H      -2.583854     -5.120044     -0.119418
  H      -4.313674     -4.765218     -0.038260
  H      -3.338031     -7.270457      0.484714
  H      -4.787263     -6.622512      1.270505
  C      -2.523456     -3.018182      1.308628
  C      -2.214309     -2.591789     -0.006965
  C      -1.619984     -1.357870     -0.205684
  C      -1.338182     -0.501762      0.881133
  C      -1.610718     -0.907462      2.172826
  C      -2.158215     -2.187177      2.405803
  N      -2.464897     -2.694773      3.645424
  C      -1.856765     -2.164309      4.733408
  C      -0.487883     -1.816858      4.910033
  O       0.024066     -1.220463      5.830385
  Cl      0.683549     -2.577097      3.636010
  C      -5.951124     -5.943270      4.791975
  C      -6.730859     -6.869952      5.517641
  C      -8.033874     -6.558213      5.873285
  C      -8.586826     -5.323085      5.509815
  C      -7.822941     -4.381695      4.829175
  C      -6.483267     -4.654610      4.494398
  N      -5.625770     -3.780948      3.787042
  C      -6.158329     -2.563042      3.539840
  C      -5.721835     -1.670882      2.518415
  O      -4.984839     -1.818747      1.574674
  Cl     -6.600383     -0.039002      2.710193
  C      -1.383872     -5.053038      5.622678
  C      -0.112641     -5.354534      6.183607
  C       0.158650     -4.993300      7.485302
  C      -0.811549     -4.318302      8.271457
  C      -2.060176     -4.043075      7.763052
  C      -2.384702     -4.436036      6.440896
  N      -3.573043     -4.206807      5.823961
  C      -4.687617     -3.908417      6.557364
  C      -5.050426     -4.629314      7.724251
  O      -4.571789     -5.603585      8.265916
  Cl     -6.606100     -3.880423      8.452107
  H      -2.486476     -3.198853     -0.868596
  H      -1.406759     -1.025430     -1.223030
  H      -0.928194      0.491970      0.698545
  H      -1.429485     -0.244828      3.018623
  H      -2.427116     -2.113301      5.658416
  H      -6.307729     -7.828559      5.812314
  H      -8.627114     -7.278096      6.438455
  H      -9.618729     -5.087294      5.771802
  H      -8.286755     -3.436037      4.561445
  H      -6.990262     -2.203865      4.138068
  H       0.662015     -5.821236      5.577997
  H       1.146362     -5.190623      7.903888
  H      -0.552485     -3.986686      9.277429
  H      -2.795071     -3.495746      8.351886
  H      -5.390900     -3.183062      6.164934
  N      -6.253407     -4.756785      1.599455
  N      -7.248493     -4.156826      1.644385
  H      -7.995847     -4.173333      0.902713
74
Coordinates from ORCA-job orca E -7353.179116348652
  N      -3.177602     -4.159179      1.661791
  C      -3.460241     -5.092908      0.575373
  C      -3.715089     -6.472765      1.164082
  N      -3.002667     -6.557340      2.457920
  C      -3.381238     -7.802135      3.194274
  C      -4.009811     -7.433215      4.534132
  N      -4.692914     -6.171732      4.308972
  Mo     -3.564040     -4.626281      3.664307
  N      -1.762779     -5.319012      4.357111
  C      -0.847623     -6.121586      3.545683
  C      -1.532486     -6.459610      2.238236
  H      -0.584179     -7.032324      4.110659
  H       0.086227     -5.571091      3.347120
  H      -1.155506     -7.403635      1.812151
  H      -1.350982     -5.661742      1.513827
  H      -4.689080     -8.231793      4.858913
  H      -3.244712     -7.308695      5.316433
  H      -4.115053     -8.342553      2.582680
  H      -2.503123     -8.449597      3.318917
  H      -2.600395     -5.119800     -0.113319
  H      -4.329175     -4.764140     -0.015987
  H      -3.346926     -7.269458      0.494356
  H      -4.791408     -6.620521      1.293313
  C      -2.531717     -3.017835      1.317626
  C      -2.228438     -2.590896      0.000368
  C      -1.637972     -1.356147     -0.201244
  C      -1.353346     -0.497673      0.883896
  C      -1.619477     -0.902875      2.176542
  C      -2.164386     -2.183818      2.412313
  N      -2.464128     -2.690550      3.651923
  C      -1.851039     -2.164553      4.738045
  C      -0.480531     -1.817092      4.907852
  O       0.037655     -1.225273      5.826813
  Cl      0.681892     -2.577733      3.624388
  C      -5.952609     -5.945287      4.784338
  C      -6.739586     -6.867135      5.506728
  C      -8.044703     -6.549457      5.852052
  C      -8.592063     -5.314386      5.480228
  C      -7.820432     -4.377300      4.801853
  C      -6.479750     -4.657031      4.479453
  N      -5.615948     -3.790985      3.772841
  C      -6.126095     -2.558318      3.548523
  C      -5.703597     -1.675071      2.515963
  O      -5.007096     -1.841329      1.543384
  Cl     -6.517291     -0.016458      2.747490
  C      -1.373947     -5.048813      5.625829
  C      -0.100849     -5.339792      6.185441
  C       0.170493     -4.974324      7.486505
  C      -0.803996     -4.306128      8.272602
  C      -2.054690     -4.038481      7.764047
  C      -2.376498     -4.431730      6.441513
  N      -3.566856     -4.207837      5.825068
  C      -4.685795     -3.915704      6.555849
  C      -5.048784     -4.650918      7.713277
  O      -4.567409     -5.628195      8.246188
  Cl     -6.611662     -3.915290      8.444855
  H      -2.501341     -3.198580     -0.860584
  H      -1.429656     -1.024814     -1.219964
  H      -0.947012      0.497038      0.698672
  H      -1.436278     -0.239758      3.021611
  H      -2.417832     -2.112638      5.665355
  H      -6.325139     -7.826815      5.810302
  H      -8.643334     -7.265959      6.415771
  H      -9.625679     -5.075882      5.732947
  H      -8.276586     -3.431412      4.521385
  H      -6.934468     -2.188744      4.173517
  H       0.675453     -5.804219      5.579969
  H       1.159879     -5.164984      7.904015
  H      -0.548093     -3.974231      9.279314
  H      -2.795066     -3.497669      8.352305
  H      -5.385479     -3.184000      6.168459
  N      -6.298534     -4.755356      1.593530
  N      -7.296283     -4.156842      1.639964
  H      -8.033634     -4.181650      0.886158
74
Coordinates from ORCA-job orca E -7353.180189585783
  N      -3.178182     -4.161918      1.673330
  C      -3.469717     -5.094427      0.587988
  C      -3.722451     -6.474559      1.178148
  N      -2.999668     -6.563763      2.467549
  C      -3.374671     -7.810517      3.203853
  C      -4.017774     -7.442337      4.538137
  N      -4.694542     -6.176980      4.311079
  Mo     -3.559389     -4.639666      3.672011
  N      -1.751022     -5.327096      4.359588
  C      -0.838593     -6.127872      3.545769
  C      -1.530892     -6.466734      2.241021
  H      -0.568911     -7.037310      4.110044
  H       0.092550     -5.575421      3.339541
  H      -1.155684     -7.411294      1.814524
  H      -1.351554     -5.669755      1.514969
  H      -4.706281     -8.236208      4.854647
  H      -3.258748     -7.322218      5.326987
  H      -4.097299     -8.360380      2.587273
  H      -2.490769     -8.447725      3.337954
  H      -2.615907     -5.121968     -0.107835
  H      -4.344020     -4.764071      0.005365
  H      -3.356285     -7.269174      0.504893
  H      -4.798232     -6.619990      1.317831
  C      -2.539430     -3.017623      1.327175
  C      -2.239523     -2.591441      0.008337
  C      -1.654243     -1.355492     -0.196239
  C      -1.371251     -0.493260      0.887412
  C      -1.633652     -0.896681      2.180595
  C      -2.174204     -2.179757      2.420045
  N      -2.470101     -2.684175      3.659366
  C      -1.857603     -2.160841      4.745793
  C      -0.487541     -1.808954      4.915443
  O       0.028613     -1.214720      5.833413
  Cl      0.676014     -2.564500      3.629485
  C      -5.958145     -5.947908      4.776282
  C      -6.754963     -6.862644      5.495368
  C      -8.061329     -6.534894      5.829659
  C      -8.599256     -5.297985      5.449657
  C      -7.816679     -4.367995      4.773495
  C      -6.476675     -4.659173      4.462549
  N      -5.602494     -3.804557      3.757348
  C      -6.083675     -2.554557      3.556479
  C      -5.672131     -1.682706      2.512846
  O      -5.023165     -1.869916      1.510453
  Cl     -6.413325      0.004609      2.781419
  C      -1.360797     -5.045049      5.626126
  C      -0.084484     -5.323393      6.183366
  C       0.188213     -4.952746      7.482981
  C      -0.789971     -4.292287      8.270494
  C      -2.043717     -4.034992      7.763611
  C      -2.364721     -4.430199      6.441377
  N      -3.559449     -4.213335      5.829756
  C      -4.682228     -3.931467      6.557809
  C      -5.043527     -4.678824      7.708015
  O      -4.555313     -5.655849      8.234268
  Cl     -6.614461     -3.959046      8.441134
  H      -2.511194     -3.202160     -0.850801
  H      -1.448622     -1.025577     -1.215945
  H      -0.969706      0.502913      0.699680
  H      -1.452331     -0.231477      3.024439
  H      -2.426368     -2.108715      5.671957
  H      -6.351746     -7.824310      5.808147
  H      -8.667149     -7.246555      6.391796
  H      -9.633585     -5.053017      5.693055
  H      -8.260666     -3.419772      4.480581
  H      -6.866907     -2.175428      4.208509
  H       0.692288     -5.784317      5.575561
  H       1.180351     -5.134715      7.897739
  H      -0.535683     -3.958778      9.277102
  H      -2.790486     -3.501048      8.350238
  H      -5.380933     -3.196930      6.173716
  N      -6.343408     -4.754998      1.588107
  N      -7.343218     -4.158982      1.635019
  H      -8.067916     -4.194437      0.867330
74
Coordinates from ORCA-job orca E -7353.181136184557
  N      -3.176815     -4.164375      1.683229
  C      -3.478675     -5.095488      0.598503
  C      -3.730284     -6.475153      1.191023
  N      -2.997919     -6.566570      2.476501
  C      -3.369826     -7.816341      3.212444
  C      -4.028035     -7.451741      4.540057
  N      -4.701253     -6.184351      4.312754
  Mo     -3.555491     -4.653167      3.677300
  N      -1.738754     -5.331741      4.361560
  C      -0.830281     -6.131706      3.544964
  C      -1.530104     -6.471483      2.242924
  H      -0.554951     -7.040445      4.107830
  H       0.099571     -5.579975      3.330087
  H      -1.157946     -7.417116      1.816119
  H      -1.353306     -5.675753      1.514871
  H      -4.723285     -8.244093      4.846323
  H      -3.276426     -7.334899      5.336435
  H      -4.080227     -8.374389      2.589009
  H      -2.480029     -8.442832      3.355816
  H      -2.630948     -5.124397     -0.104096
  H      -4.358830     -4.762888      0.026058
  H      -3.367853     -7.269151      0.515119
  H      -4.805510     -6.620319      1.342153
  C      -2.542702     -3.018464      1.335853
  C      -2.243331     -2.594008      0.015818
  C      -1.661281     -1.357601     -0.190779
  C      -1.381356     -0.492201      0.892017
  C      -1.643229     -0.892961      2.185447
  C      -2.181162     -2.177407      2.428169
  N      -2.477755     -2.678244      3.667087
  C      -1.867998     -2.156424      4.754633
  C      -0.499455     -1.797449      4.925568
  O       0.011585     -1.203452      5.846517
  Cl      0.668129     -2.545420      3.640953
  C      -5.967043     -5.951178      4.766902
  C      -6.773435     -6.859135      5.483300
  C      -8.079373     -6.520154      5.809469
  C      -8.606519     -5.279694      5.424521
  C      -7.813821     -4.357132      4.749734
  C      -6.475745     -4.661062      4.444923
  N      -5.591590     -3.818467      3.740359
  C      -6.045037     -2.552094      3.563678
  C      -5.647295     -1.693329      2.506201
  O      -5.047715     -1.900891      1.476935
  Cl     -6.312124      0.021977      2.810151
  C      -1.346516     -5.038878      5.625000
  C      -0.066028     -5.303461      6.178989
  C       0.207512     -4.927554      7.477030
  C      -0.774806     -4.276459      8.266666
  C      -2.032352     -4.031593      7.762709
  C      -2.352397     -4.429261      6.440972
  N      -3.551534     -4.222470      5.834149
  C      -4.677812     -3.953622      6.560186
  C      -5.034641     -4.706918      7.707812
  O      -4.535677     -5.679618      8.232151
  Cl     -6.615005     -4.006098      8.437942
  H      -2.513693     -3.208652     -0.840845
  H      -1.455480     -1.028628     -1.210730
  H      -0.982868      0.504828      0.702250
  H      -1.464996     -0.225323      3.028054
  H      -2.439633     -2.106851      5.679195
  H      -6.378888     -7.822696      5.801798
  H      -8.692524     -7.226484      6.370377
  H      -9.640231     -5.026705      5.662205
  H      -8.245223     -3.405397      4.448781
  H      -6.801673     -2.163720      4.241836
  H       0.711172     -5.759199      5.567644
  H       1.202690     -5.099228      7.888911
  H      -0.521516     -3.941147      9.272949
  H      -2.785341     -3.505716      8.348831
  H      -5.379957     -3.221826      6.176626
  N      -6.387758     -4.756860      1.579980
  N      -7.391061     -4.163147      1.627621
  H      -8.108871     -4.206191      0.852686
74
Coordinates from ORCA-job orca E -7353.181911540784
  N      -3.172839     -4.166723      1.692571
  C      -3.487411     -5.095626      0.609068
  C      -3.738748     -6.474662      1.203835
  N      -2.996776     -6.567716      2.485058
  C      -3.365700     -7.820910      3.220142
  C      -4.039130     -7.461294      4.540307
  N      -4.709383     -6.192399      4.313276
  Mo     -3.550225     -4.666506      3.682097
  N      -1.727161     -5.334804      4.362939
  C      -0.823109     -6.135398      3.543323
  C      -1.529541     -6.476173      2.244159
  H      -0.543836     -7.043907      4.104793
  H       0.106676     -5.586253      3.320955
  H      -1.161808     -7.423554      1.817541
  H      -1.354974     -5.682300      1.513586
  H      -4.739241     -8.254378      4.834705
  H      -3.296629     -7.347802      5.345770
  H      -4.062639     -8.386649      2.588502
  H      -2.470479     -8.437016      3.373527
  H      -2.646297     -5.126922     -0.100860
  H      -4.373439     -4.758886      0.048180
  H      -3.384130     -7.269747      0.525216
  H      -4.814271     -6.619667      1.368964
  C      -2.542632     -3.019782      1.344031
  C      -2.243474     -2.596294      0.023206
  C      -1.664899     -1.358963     -0.184192
  C      -1.389383     -0.490925      0.898240
  C      -1.651452     -0.889702      2.191684
  C      -2.185363     -2.176093      2.436618
  N      -2.484686     -2.673570      3.675105
  C      -1.880604     -2.150761      4.764095
  C      -0.514380     -1.781808      4.939092
  O      -0.013546     -1.183443      5.862975
  Cl      0.662931     -2.520705      3.662331
  C      -5.976824     -5.954508      4.756360
  C      -6.792050     -6.856407      5.470582
  C      -8.096387     -6.506099      5.791440
  C      -8.612169     -5.261131      5.404496
  C      -7.810817     -4.345340      4.730381
  C      -6.475717     -4.662614      4.427481
  N      -5.582953     -3.831559      3.722401
  C      -6.009455     -2.550342      3.568494
  C      -5.624558     -1.707778      2.494990
  O      -5.072037     -1.937767      1.444027
  Cl     -6.219480      0.032060      2.820383
  C      -1.331689     -5.034306      5.623421
  C      -0.046861     -5.286179      6.173183
  C       0.227334     -4.905157      7.469644
  C      -0.758486     -4.262684      8.261525
  C      -2.020060     -4.029602      7.761572
  C      -2.339823     -4.430644      6.440949
  N      -3.542435     -4.234285      5.836665
  C      -4.671922     -3.976628      6.560887
  C      -5.026399     -4.732385      7.707588
  O      -4.518273     -5.700566      8.232513
  Cl     -6.611046     -4.044339      8.435602
  H      -2.512394     -3.214337     -0.831365
  H      -1.458366     -1.029658     -1.203877
  H      -0.994512      0.507260      0.706862
  H      -1.477810     -0.219508      3.033266
  H      -2.456469     -2.103441      5.686057
  H      -6.403355     -7.821666      5.791458
  H      -8.716939     -7.206754      6.351371
  H      -9.644322     -4.999633      5.639852
  H      -8.230576     -3.389373      4.425529
  H      -6.739441     -2.149910      4.269061
  H       0.730885     -5.736439      5.558349
  H       1.225318     -5.066738      7.878892
  H      -0.505128     -3.925506      9.267197
  H      -2.776904     -3.510845      8.349082
  H      -5.378187     -3.248810      6.176832
  N      -6.432906     -4.758684      1.572086
  N      -7.437491     -4.169472      1.619635
  H      -8.151256     -4.218931      0.840506
74
Coordinates from ORCA-job orca E -7353.182502128488
  N      -3.166522     -4.171030      1.700120
  C      -3.495740     -5.096554      0.618083
  C      -3.745338     -6.475004      1.214797
  N      -2.994936     -6.570086      2.492117
  C      -3.360585     -7.826691      3.225772
  C      -4.051305     -7.472577      4.537793
  N      -4.717756     -6.201640      4.311804
  Mo     -3.544926     -4.679881      3.685703
  N      -1.717119     -5.336231      4.363055
  C      -0.816457     -6.138557      3.541448
  C      -1.527864     -6.481735      2.244826
  H      -0.534232     -7.046372      4.102749
  H       0.113420     -5.591716      3.313544
  H      -1.164339     -7.431180      1.819480
  H      -1.355137     -5.690458      1.511019
  H      -4.755733     -8.267232      4.818678
  H      -3.319760     -7.363594      5.353963
  H      -4.041790     -8.401119      2.584861
  H      -2.460296     -8.432042      3.391553
  H      -2.661690     -5.130455     -0.099870
  H      -4.387252     -4.754662      0.069369
  H      -3.399532     -7.271599      0.533346
  H      -4.818223     -6.620915      1.393300
  C      -2.540422     -3.022872      1.350726
  C      -2.240871     -2.599794      0.029558
  C      -1.667195     -1.360547     -0.177913
  C      -1.398625     -0.489319      0.904098
  C      -1.661885     -0.886586      2.197432
  C      -2.189496     -2.175777      2.443709
  N      -2.492954     -2.670440      3.681887
  C      -1.896237     -2.145796      4.772497
  C      -0.532718     -1.764412      4.952722
  O      -0.044920     -1.160077      5.879830
  Cl      0.656303     -2.489662      3.684899
  C      -5.985892     -5.957851      4.745345
  C      -6.810671     -6.853913      5.456982
  C      -8.111708     -6.490603      5.775479
  C      -8.614289     -5.238996      5.390430
  C      -7.804554     -4.329904      4.717511
  C      -6.473582     -4.662584      4.412858
  N      -5.573499     -3.843484      3.707165
  C      -5.972042     -2.548619      3.574720
  C      -5.598329     -1.721007      2.486892
  O      -5.088650     -1.970674      1.418386
  Cl     -6.125553      0.039767      2.828812
  C      -1.318615     -5.029859      5.621317
  C      -0.030238     -5.269857      6.167542
  C       0.243641     -4.883532      7.462705
  C      -0.745815     -4.248676      8.255749
  C      -2.010900     -4.026511      7.758855
  C      -2.329660     -4.431593      6.439584
  N      -3.535267     -4.247015      5.836218
  C      -4.666856     -3.999282      6.560863
  C      -5.016616     -4.757197      7.707455
  O      -4.498453     -5.720845      8.232372
  Cl     -6.603871     -4.082766      8.436559
  H      -2.506407     -3.221070     -0.823673
  H      -1.459358     -1.030626     -1.197139
  H      -1.008968      0.510657      0.711305
  H      -1.495489     -0.213107      3.037837
  H      -2.475905     -2.102983      5.692327
  H      -6.427760     -7.821908      5.776733
  H      -8.740721     -7.184864      6.333989
  H      -9.643754     -4.967793      5.626881
  H      -8.212006     -3.368235      4.413149
  H      -6.676202     -2.134759      4.294152
  H       0.748859     -5.715303      5.550813
  H       1.243737     -5.035676      7.870479
  H      -0.492857     -3.909500      9.260876
  H      -2.770563     -3.514428      8.348675
  H      -5.379222     -3.276479      6.177862
  N      -6.475418     -4.765111      1.561246
  N      -7.485470     -4.178311      1.609789
  H      -8.199482     -4.230935      0.830160
74
Coordinates from ORCA-job orca E -7353.182935458428
  N      -3.159822     -4.174286      1.708853
  C      -3.505992     -5.096097      0.630078
  C      -3.753887     -6.474633      1.227965
  N      -2.993089     -6.573004      2.499512
  C      -3.354523     -7.832000      3.232339
  C      -4.062705     -7.481656      4.536002
  N      -4.722962     -6.207710      4.309136
  Mo     -3.538485     -4.691072      3.691314
  N      -1.709110     -5.336099      4.362207
  C      -0.810784     -6.140177      3.538431
  C      -1.526481     -6.487423      2.244859
  H      -0.526030     -7.046476      4.100902
  H       0.118585     -5.594146      3.306761
  H      -1.166605     -7.439125      1.821811
  H      -1.356162     -5.699522      1.506768
  H      -4.772200     -8.276703      4.803617
  H      -3.343038     -7.378257      5.363533
  H      -4.019423     -8.416581      2.583447
  H      -2.449799     -8.426700      3.411764
  H      -2.680865     -5.133650     -0.098064
  H      -4.402925     -4.747332      0.094593
  H      -3.421260     -7.273502      0.542741
  H      -4.825837     -6.619052      1.424131
  C      -2.537272     -3.025544      1.358065
  C      -2.236687     -2.602927      0.036789
  C      -1.667206     -1.361978     -0.170470
  C      -1.405271     -0.487404      0.910801
  C      -1.670175     -0.883263      2.203991
  C      -2.192046     -2.174885      2.450889
  N      -2.500193     -2.666630      3.688709
  C      -1.910766     -2.139289      4.780034
  C      -0.550027     -1.743709      4.963501
  O      -0.074148     -1.136755      5.894971
  Cl      0.649397     -2.460397      3.706669
  C      -5.993085     -5.959600      4.734226
  C      -6.826133     -6.851274      5.442193
  C      -8.124792     -6.477689      5.758207
  C      -8.616101     -5.220708      5.375370
  C      -7.799265     -4.316431      4.704318
  C      -6.471833     -4.661849      4.399463
  N      -5.565786     -3.851912      3.693593
  C      -5.938922     -2.546158      3.577675
  C      -5.576988     -1.734169      2.475405
  O      -5.104746     -2.003141      1.393619
  Cl     -6.042823      0.043739      2.823641
  C      -1.306281     -5.026385      5.619090
  C      -0.015193     -5.256833      6.161209
  C       0.258739     -4.866526      7.455622
  C      -0.733332     -4.238037      8.249784
  C      -2.001573     -4.024229      7.755914
  C      -2.319656     -4.432435      6.438103
  N      -3.527553     -4.258853      5.834216
  C      -4.660577     -4.018415      6.560267
  C      -5.005874     -4.780564      7.705441
  O      -4.480794     -5.743221      8.226449
  Cl     -6.592942     -4.117506      8.439470
  H      -2.498088     -3.226225     -0.816221
  H      -1.457819     -1.032065     -1.189396
  H      -1.020439      0.514135      0.716515
  H      -1.510979     -0.206667      3.043270
  H      -2.491938     -2.101996      5.699209
  H      -6.448173     -7.821869      5.760044
  H      -8.761683     -7.166770      6.314205
  H      -9.643560     -4.942122      5.612340
  H      -8.196718     -3.350373      4.400454
  H      -6.619268     -2.117785      4.311824
  H       0.765470     -5.698611      5.543733
  H       1.260386     -5.011487      7.862195
  H      -0.480522     -3.897921      9.254649
  H      -2.762192     -3.517968      8.349552
  H      -5.377840     -3.298394      6.180765
  N      -6.521189     -4.768833      1.556798
  N      -7.531086     -4.188787      1.604946
  H      -8.241591     -4.248123      0.821407
74
Coordinates from ORCA-job orca E -7353.183264218065
  N      -3.150413     -4.180092      1.715838
  C      -3.514824     -5.097467      0.639980
  C      -3.759687     -6.475989      1.239358
  N      -2.989716     -6.577475      2.505819
  C      -3.346247     -7.838663      3.238041
  C      -4.075879     -7.492179      4.531850
  N      -4.729283     -6.214717      4.304177
  Mo     -3.533363     -4.702558      3.694211
  N      -1.700706     -5.335436      4.359729
  C      -0.803774     -6.140487      3.534351
  C      -1.523431     -6.493399      2.244080
  H      -0.515810     -7.044571      4.098781
  H       0.124465     -5.594140      3.298963
  H      -1.166374     -7.447454      1.824354
  H      -1.355896     -5.709576      1.500957
  H      -4.791370     -8.287097      4.784185
  H      -3.370019     -7.395565      5.372063
  H      -3.992329     -8.435277      2.581002
  H      -2.436633     -8.420532      3.433523
  H      -2.699933     -5.138849     -0.099591
  H      -4.417270     -4.741625      0.118859
  H      -3.438629     -7.276269      0.550258
  H      -4.827085     -6.620721      1.451716
  C      -2.532457     -3.029791      1.364406
  C      -2.229548     -2.608155      0.043243
  C      -1.667621     -1.363989     -0.164204
  C      -1.417737     -0.483947      0.915721
  C      -1.685754     -0.878095      2.208673
  C      -2.197337     -2.173736      2.456711
  N      -2.510736     -2.662879      3.694521
  C      -1.931192     -2.131812      4.787092
  C      -0.574207     -1.719209      4.976805
  O      -0.115886     -1.100505      5.909307
  Cl      0.640316     -2.421020      3.733160
  C      -5.999915     -5.960371      4.723579
  C      -6.842334     -6.847318      5.427207
  C      -8.136817     -6.461164      5.744077
  C      -8.614461     -5.196227      5.368163
  C      -7.789768     -4.297433      4.699773
  C      -6.467577     -4.658219      4.389836
  N      -5.554658     -3.858705      3.685019
  C      -5.902756     -2.543939      3.575993
  C      -5.542285     -1.746568      2.463720
  O      -5.092922     -2.031633      1.375550
  Cl     -5.963645      0.044155      2.807549
  C      -1.295329     -5.025214      5.616307
  C      -0.002406     -5.248079      6.155236
  C       0.271447     -4.855199      7.449424
  C      -0.722607     -4.231740      8.244299
  C      -1.993262     -4.024701      7.752377
  C      -2.310992     -4.436219      6.436124
  N      -3.521726     -4.273096      5.832694
  C      -4.654408     -4.038248      6.562344
  C      -4.995505     -4.807049      7.704388
  O      -4.464952     -5.770809      8.218928
  Cl     -6.578363     -4.151284      8.449056
  H      -2.482942     -3.235063     -0.809546
  H      -1.455704     -1.034905     -1.182888
  H      -1.040932      0.520289      0.719806
  H      -1.538366     -0.196571      3.046037
  H      -2.515021     -2.101557      5.704796
  H      -6.471542     -7.822237      5.740336
  H      -8.782224     -7.144608      6.297204
  H      -9.638321     -4.908062      5.609509
  H      -8.175347     -3.324627      4.402005
  H      -6.567962     -2.101131      4.315754
  H       0.779827     -5.686775      5.537453
  H       1.274223     -4.994641      7.855145
  H      -0.470097     -3.890675      9.248919
  H      -2.754470     -3.523129      8.349234
  H      -5.376053     -3.319437      6.188797
  N      -6.563818     -4.776375      1.549102
  N      -7.578593     -4.199538      1.598548
  H      -8.291586     -4.260662      0.816421
74
Coordinates from ORCA-job orca E -7353.183683938722
  N      -3.146567     -4.181776      1.720717
  C      -3.519825     -5.093062      0.646904
  C      -3.761467     -6.472895      1.241424
  N      -2.988467     -6.580434      2.505244
  C      -3.344149     -7.843222      3.234495
  C      -4.081589     -7.499316      4.524996
  N      -4.730574     -6.219923      4.297108
  Mo     -3.530574     -4.708343      3.695705
  N      -1.698933     -5.335861      4.357117
  C      -0.801927     -6.142553      3.532323
  C      -1.521551     -6.496987      2.242536
  H      -0.515139     -7.045710      4.098622
  H       0.126714     -5.596827      3.297857
  H      -1.165141     -7.451695      1.823553
  H      -1.354160     -5.714076      1.498421
  H      -4.799594     -8.293675      4.771099
  H      -3.381490     -7.406652      5.370380
  H      -3.983905     -8.442594      2.574008
  H      -2.433979     -8.421750      3.435100
  H      -2.711737     -5.132108     -0.098712
  H      -4.424683     -4.733100      0.135773
  H      -3.445933     -7.269978      0.546881
  H      -4.830445     -6.620796      1.457368
  C      -2.525974     -3.033493      1.369756
  C      -2.216567     -2.614943      0.049251
  C      -1.652345     -1.372044     -0.157653
  C      -1.408299     -0.489257      0.921576
  C      -1.683231     -0.880513      2.213967
  C      -2.194601     -2.176173      2.461735
  N      -2.515051     -2.663747      3.698455
  C      -1.944203     -2.129487      4.792859
  C      -0.590086     -1.707296      4.988605
  O      -0.142345     -1.082777      5.922489
  Cl      0.635478     -2.407413      3.757812
  C      -6.000623     -5.963722      4.718379
  C      -6.843860     -6.849188      5.422760
  C      -8.135347     -6.458545      5.745494
  C      -8.609138     -5.190090      5.375284
  C      -7.784406     -4.293372      4.705033
  C      -6.465412     -4.659754      4.387333
  N      -5.551758     -3.863177      3.681029
  C      -5.896851     -2.550311      3.565379
  C      -5.542609     -1.758180      2.447465
  O      -5.100913     -2.046367      1.360315
  Cl     -5.959850      0.031133      2.778902
  C      -1.291408     -5.024232      5.613811
  C       0.002768     -5.241073      6.151295
  C       0.277447     -4.841900      7.444262
  C      -0.717461     -4.218779      8.237821
  C      -1.990467     -4.018764      7.747106
  C      -2.308479     -4.436852      6.433224
  N      -3.521459     -4.283346      5.829589
  C      -4.653460     -4.049359      6.562103
  C      -4.988605     -4.817731      7.705017
  O      -4.454506     -5.780360      8.218112
  Cl     -6.570242     -4.165205      8.454757
  H      -2.465183     -3.243083     -0.804205
  H      -1.434522     -1.045932     -1.175976
  H      -1.030664      0.514446      0.725336
  H      -1.540792     -0.196692      3.050353
  H      -2.531544     -2.102382      5.708579
  H      -6.474727     -7.825772      5.732564
  H      -8.781909     -7.139693      6.299760
  H      -9.630337     -4.897858      5.623385
  H      -8.167552     -3.317487      4.413797
  H      -6.557481     -2.102527      4.304159
  H       0.786465     -5.679121      5.534924
  H       1.281487     -4.976029      7.849516
  H      -0.464328     -3.872391      9.240762
  H      -2.751732     -3.517745      8.344492
  H      -5.378332     -3.332284      6.191337
  N      -6.596838     -4.778796      1.536850
  N      -7.598482     -4.176867      1.604793
  H      -8.335088     -4.222175      0.823549
74
Coordinates from ORCA-job orca E -7353.184126678811
  N      -3.146463     -4.180796      1.726055
  C      -3.523339     -5.088007      0.654173
  C      -3.755676     -6.469659      1.243542
  N      -2.982824     -6.586053      2.503846
  C      -3.337205     -7.848213      3.230898
  C      -4.088074     -7.505552      4.517105
  N      -4.730283     -6.222507      4.288632
  Mo     -3.532602     -4.710236      3.698443
  N      -1.702147     -5.332951      4.351049
  C      -0.799238     -6.136799      3.528967
  C      -1.516869     -6.497972      2.240762
  H      -0.508700     -7.036437      4.098921
  H       0.125405     -5.584230      3.295828
  H      -1.156430     -7.452878      1.825145
  H      -1.351741     -5.717310      1.493819
  H      -4.812240     -8.296683      4.755946
  H      -3.394061     -7.418777      5.368694
  H      -3.967968     -8.454854      2.566535
  H      -2.425060     -8.421010      3.442130
  H      -2.720332     -5.121085     -0.096737
  H      -4.432060     -4.728797      0.149483
  H      -3.439739     -7.260992      0.541939
  H      -4.824551     -6.623221      1.459934
  C      -2.524883     -3.033673      1.375300
  C      -2.206742     -2.619954      0.055518
  C      -1.637886     -1.379504     -0.151728
  C      -1.398034     -0.493417      0.925978
  C      -1.681658     -0.880405      2.217844
  C      -2.197027     -2.174352      2.465680
  N      -2.523635     -2.660816      3.701453
  C      -1.953999     -2.128562      4.796519
  C      -0.599953     -1.702003      4.989754
  O      -0.152246     -1.078686      5.923756
  Cl      0.623992     -2.404366      3.759210
  C      -6.000256     -5.965600      4.715320
  C      -6.842575     -6.846903      5.424980
  C      -8.129835     -6.449459      5.758490
  C      -8.602124     -5.178773      5.392038
  C      -7.779487     -4.287615      4.713771
  C      -6.463985     -4.660458      4.387087
  N      -5.550796     -3.866138      3.679250
  C      -5.896017     -2.553847      3.556200
  C      -5.549027     -1.763849      2.432267
  O      -5.111257     -2.059669      1.330755
  Cl     -5.970523      0.027331      2.769460
  C      -1.294600     -5.021985      5.609323
  C      -0.001399     -5.237611      6.146104
  C       0.273680     -4.838268      7.439451
  C      -0.721445     -4.215307      8.231866
  C      -1.994989     -4.016485      7.740257
  C      -2.312384     -4.435550      6.427109
  N      -3.527807     -4.288501      5.823701
  C      -4.658032     -4.055137      6.562280
  C      -4.983036     -4.830588      7.702144
  O      -4.446247     -5.796077      8.206494
  Cl     -6.563520     -4.183004      8.466547
  H      -2.449414     -3.249140     -0.799021
  H      -1.412675     -1.059166     -1.170214
  H      -1.016469      0.508578      0.729225
  H      -1.541404     -0.194739      3.052970
  H      -2.538598     -2.106728      5.715347
  H      -6.477926     -7.824923      5.736018
  H      -8.774624     -7.126245      6.319699
  H      -9.619657     -4.881503      5.650396
  H      -8.160141     -3.309113      4.425657
  H      -6.557174     -2.101352      4.298258
  H       0.783641     -5.676514      5.531881
  H       1.277463     -4.973115      7.844368
  H      -0.469794     -3.868237      9.234846
  H      -2.756966     -3.516675      8.338115
  H      -5.383641     -3.334170      6.200520
  N      -6.622637     -4.794757      1.524619
  N      -7.602859     -4.167745      1.603643
  H      -8.337730     -4.202245      0.820601
74
Coordinates from ORCA-job orca E -7353.184602650434
  N      -3.142498     -4.180276      1.728147
  C      -3.520981     -5.087908      0.656879
  C      -3.748507     -6.468926      1.247995
  N      -2.978003     -6.588142      2.506431
  C      -3.331729     -7.849782      3.233821
  C      -4.095096     -7.508302      4.514332
  N      -4.735623     -6.224975      4.283195
  Mo     -3.535579     -4.711686      3.695325
  N      -1.701546     -5.328233      4.344383
  C      -0.795344     -6.130400      3.524565
  C      -1.512987     -6.498570      2.239904
  H      -0.502235     -7.027118      4.097448
  H       0.127312     -5.575755      3.289450
  H      -1.151670     -7.454774      1.828197
  H      -1.351085     -5.721423      1.488607
  H      -4.822023     -8.298611      4.745819
  H      -3.407925     -7.424309      5.371625
  H      -3.954280     -8.461332      2.566811
  H      -2.418180     -8.416500      3.453508
  H      -2.720480     -5.119670     -0.098439
  H      -4.434517     -4.729886      0.154917
  H      -3.431814     -7.259231      0.544098
  H      -4.816912     -6.628531      1.462642
  C      -2.522170     -3.031488      1.378230
  C      -2.199006     -2.618952      0.058938
  C      -1.633366     -1.376728     -0.148106
  C      -1.402286     -0.488029      0.929305
  C      -1.691306     -0.874236      2.220594
  C      -2.203152     -2.169751      2.468436
  N      -2.533621     -2.657561      3.704444
  C      -1.966808     -2.124988      4.801159
  C      -0.614967     -1.686537      4.994096
  O      -0.174262     -1.061808      5.930640
  Cl      0.615934     -2.376933      3.764473
  C      -6.003418     -5.963388      4.715274
  C      -6.845327     -6.839528      5.431469
  C      -8.128759     -6.436284      5.772822
  C      -8.599142     -5.164940      5.406664
  C      -7.777351     -4.280003      4.720697
  C      -6.464976     -4.657207      4.386654
  N      -5.549790     -3.867385      3.677122
  C      -5.891846     -2.559286      3.531597
  C      -5.542689     -1.778820      2.404676
  O      -5.108852     -2.080380      1.320324
  Cl     -5.946088      0.017406      2.720167
  C      -1.295706     -5.023096      5.603995
  C      -0.003795     -5.242169      6.139301
  C       0.270855     -4.849374      7.434013
  C      -0.722953     -4.227368      8.227838
  C      -1.995771     -4.025231      7.736537
  C      -2.313844     -4.441389      6.423375
  N      -3.531252     -4.296955      5.822227
  C      -4.657373     -4.063607      6.567599
  C      -4.975926     -4.842084      7.708751
  O      -4.440317     -5.812190      8.205157
  Cl     -6.551393     -4.194702      8.483897
  H      -2.435460     -3.249770     -0.795985
  H      -1.403934     -1.057945     -1.166449
  H      -1.022996      0.515249      0.733035
  H      -1.557297     -0.186105      3.054700
  H      -2.549093     -2.112527      5.722292
  H      -6.483242     -7.818102      5.743007
  H      -8.772587     -7.108749      6.340185
  H      -9.613188     -4.862708      5.672549
  H      -8.156937     -3.301661      4.435036
  H      -6.550710     -2.097306      4.262855
  H       0.781064     -5.680784      5.524475
  H       1.273426     -4.989024      7.838060
  H      -0.471654     -3.883935      9.231457
  H      -2.757074     -3.526977      8.336375
  H      -5.384475     -3.341325      6.211781
  N      -6.644305     -4.812693      1.512824
  N      -7.599206     -4.161939      1.598261
  H      -8.330438     -4.186409      0.839734
74
Coordinates from ORCA-job orca E -7353.185393653067
  N      -3.135488     -4.181396      1.732575
  C      -3.524397     -5.087302      0.663654
  C      -3.754594     -6.468830      1.254259
  N      -2.979024     -6.591655      2.508376
  C      -3.331974     -7.853014      3.236283
  C      -4.101253     -7.512956      4.512113
  N      -4.738791     -6.228580      4.281216
  Mo     -3.532942     -4.716341      3.695569
  N      -1.696163     -5.330096      4.341301
  C      -0.792895     -6.133520      3.519775
  C      -1.515146     -6.504530      2.237651
  H      -0.497773     -7.029306      4.092990
  H       0.129656     -5.580220      3.279852
  H      -1.156668     -7.462285      1.827884
  H      -1.355229     -5.730216      1.482745
  H      -4.831484     -8.302196      4.736835
  H      -3.418841     -7.433070      5.373303
  H      -3.948402     -8.467996      2.567896
  H      -2.416990     -8.414596      3.460900
  H      -2.730056     -5.122997     -0.098113
  H      -4.441029     -4.725954      0.168970
  H      -3.445554     -7.258353      0.546226
  H      -4.822569     -6.627988      1.473604
  C      -2.513076     -3.033164      1.383044
  C      -2.189107     -2.619611      0.064034
  C      -1.626872     -1.375446     -0.142441
  C      -1.401390     -0.485453      0.934994
  C      -1.691928     -0.872032      2.225528
  C      -2.198844     -2.169795      2.473521
  N      -2.535040     -2.655698      3.708523
  C      -1.980173     -2.118466      4.807832
  C      -0.631894     -1.673095      5.014789
  O      -0.208569     -1.030805      5.947449
  Cl      0.618208     -2.361473      3.806504
  C      -6.003905     -5.962952      4.713951
  C      -6.848224     -6.837325      5.430583
  C      -8.130408     -6.431643      5.771732
  C      -8.596326     -5.158742      5.406415
  C      -7.771099     -4.275067      4.721068
  C      -6.460989     -4.656250      4.384455
  N      -5.543844     -3.871730      3.672783
  C      -5.887813     -2.565571      3.512468
  C      -5.537960     -1.796643      2.376866
  O      -5.101626     -2.109669      1.293310
  Cl     -5.942240     -0.000037      2.675101
  C      -1.288832     -5.023824      5.600618
  C       0.005228     -5.237903      6.133913
  C       0.280707     -4.844100      7.428291
  C      -0.713812     -4.225469      8.223734
  C      -1.988058     -4.027816      7.734539
  C      -2.307259     -4.445904      6.422186
  N      -3.526449     -4.305810      5.823532
  C      -4.652161     -4.074956      6.570445
  C      -4.971910     -4.855859      7.710317
  O      -4.435662     -5.825221      8.206676
  Cl     -6.536270     -4.199077      8.495479
  H      -2.424104     -3.250703     -0.790597
  H      -1.396796     -1.055613     -1.160273
  H      -1.025924      0.519657      0.739036
  H      -1.563916     -0.181791      3.058926
  H      -2.571708     -2.102053      5.719831
  H      -6.489182     -7.817552      5.740206
  H      -8.776714     -7.103521      6.338228
  H      -9.608758     -4.854072      5.673200
  H      -8.146861     -3.295367      4.436680
  H      -6.546897     -2.096738      4.240060
  H       0.790373     -5.673630      5.517572
  H       1.284847     -4.980151      7.830547
  H      -0.461899     -3.880458      9.226746
  H      -2.749838     -3.531477      8.335025
  H      -5.379662     -3.352922      6.215322
  N      -6.669426     -4.822362      1.504717
  N      -7.611260     -4.135111      1.607521
  H      -8.357607     -4.148173      0.855365
74
Coordinates from ORCA-job orca E -7353.185982851290
  N      -3.133457     -4.179457      1.735588
  C      -3.531811     -5.084453      0.667473
  C      -3.760156     -6.467647      1.258585
  N      -2.978358     -6.591048      2.508988
  C      -3.328334     -7.851854      3.238370
  C      -4.102796     -7.513214      4.510871
  N      -4.739655     -6.228497      4.279670
  Mo     -3.531844     -4.715655      3.696384
  N      -1.692387     -5.327512      4.339459
  C      -0.789550     -6.128351      3.515404
  C      -1.515559     -6.502533      2.234865
  H      -0.489769     -7.022972      4.087841
  H       0.130662     -5.572917      3.271420
  H      -1.156927     -7.460648      1.826046
  H      -1.358575     -5.729990      1.477523
  H      -4.835517     -8.302023      4.729975
  H      -3.424106     -7.435765      5.375318
  H      -3.939665     -8.471145      2.569089
  H      -2.410925     -8.407678      3.466669
  H      -2.744690     -5.121445     -0.101358
  H      -4.451749     -4.722132      0.180974
  H      -3.454161     -7.255596      0.547494
  H      -4.824199     -6.629155      1.480751
  C      -2.508259     -3.032124      1.386526
  C      -2.182539     -2.618477      0.067962
  C      -1.617299     -1.375801     -0.137612
  C      -1.391279     -0.487042      0.940440
  C      -1.684727     -0.872722      2.230392
  C      -2.195022     -2.168847      2.477905
  N      -2.533068     -2.653391      3.712605
  C      -1.976410     -2.120448      4.813303
  C      -0.627931     -1.677246      5.020804
  O      -0.203795     -1.040607      5.957540
  Cl      0.620680     -2.361636      3.807885
  C      -6.003264     -5.961995      4.714145
  C      -6.846257     -6.836339      5.432642
  C      -8.127823     -6.431092      5.776249
  C      -8.593588     -5.158022      5.411857
  C      -7.769031     -4.274493      4.723869
  C      -6.460510     -4.655940      4.383478
  N      -5.544589     -3.874029      3.667365
  C      -5.900205     -2.572801      3.490591
  C      -5.545887     -1.808828      2.350890
  O      -5.096362     -2.125753      1.270442
  Cl     -5.973138     -0.016755      2.634054
  C      -1.285440     -5.020108      5.599456
  C       0.009547     -5.231638      6.133714
  C       0.283567     -4.839749      7.429403
  C      -0.713240     -4.225326      8.225860
  C      -1.987481     -4.029219      7.735870
  C      -2.304736     -4.444722      6.421797
  N      -3.524455     -4.307389      5.824353
  C      -4.652080     -4.080208      6.570111
  C      -4.971117     -4.860285      7.709732
  O      -4.430466     -5.826099      8.208428
  Cl     -6.542412     -4.208700      8.492612
  H      -2.417782     -3.249301     -0.786770
  H      -1.384765     -1.056344     -1.154852
  H      -1.012360      0.516414      0.745553
  H      -1.555280     -0.183218      3.063890
  H      -2.567179     -2.109485      5.727841
  H      -6.488005     -7.816922      5.742406
  H      -8.772135     -7.103426      6.344640
  H      -9.604750     -4.852390      5.681563
  H      -8.145115     -3.294057      4.440579
  H      -6.565411     -2.101419      4.213634
  H       0.795676     -5.664563      5.516752
  H       1.288417     -4.974692      7.831861
  H      -0.463250     -3.882046      9.230244
  H      -2.752154     -3.536418      8.336160
  H      -5.381671     -3.361783      6.211958
  N      -6.695492     -4.833278      1.496451
  N      -7.616817     -4.118028      1.616966
  H      -8.380321     -4.111566      0.875269
74
Coordinates from ORCA-job orca E -7353.186643664725
  N      -3.130374     -4.176965      1.737906
  C      -3.544404     -5.080798      0.669759
  C      -3.770675     -6.466634      1.263409
  N      -2.977305     -6.588681      2.508736
  C      -3.321412     -7.848361      3.242386
  C      -4.102882     -7.512091      4.510867
  N      -4.739881     -6.227082      4.280696
  Mo     -3.531779     -4.713436      3.697506
  N      -1.686186     -5.323335      4.336427
  C      -0.784607     -6.118377      3.506371
  C      -1.516632     -6.497391      2.228381
  H      -0.475804     -7.011920      4.075879
  H       0.131338     -5.558436      3.255584
  H      -1.157505     -7.455994      1.820942
  H      -1.364126     -5.727639      1.467262
  H      -4.838506     -8.301195      4.721208
  H      -3.429804     -7.438159      5.380086
  H      -3.923889     -8.475953      2.572072
  H      -2.399478     -8.394169      3.476847
  H      -2.768102     -5.120073     -0.109942
  H      -4.468934     -4.715329      0.196215
  H      -3.471994     -7.254200      0.548756
  H      -4.827462     -6.628647      1.497560
  C      -2.499397     -3.032363      1.389676
  C      -2.169904     -2.619565      0.071792
  C      -1.601927     -1.378340     -0.132856
  C      -1.377655     -0.489794      0.945766
  C      -1.674884     -0.873882      2.235141
  C      -2.187919     -2.168601      2.482736
  N      -2.530692     -2.647817      3.717257
  C      -1.979202     -2.114564      4.818976
  C      -0.632524     -1.672086      5.034467
  O      -0.214044     -1.034043      5.972505
  Cl      0.622105     -2.357283      3.830401
  C      -6.002596     -5.960242      4.716791
  C      -6.843486     -6.835691      5.436391
  C      -8.125206     -6.432020      5.782034
  C      -8.592363     -5.159344      5.418507
  C      -7.769947     -4.274809      4.727454
  C      -6.461869     -4.654963      4.384507
  N      -5.547527     -3.876305      3.661322
  C      -5.914871     -2.578687      3.465357
  C      -5.557495     -1.826769      2.316231
  O      -5.100577     -2.154970      1.241238
  Cl     -6.004177     -0.031481      2.580247
  C      -1.280283     -5.018749      5.596935
  C       0.015713     -5.230634      6.131134
  C       0.288611     -4.846861      7.429381
  C      -0.709500     -4.239166      8.229983
  C      -1.983144     -4.041304      7.740557
  C      -2.299698     -4.448721      6.423083
  N      -3.518722     -4.307480      5.828090
  C      -4.647652     -4.080187      6.570138
  C      -4.973672     -4.858070      7.708096
  O      -4.439767     -5.825574      8.208688
  Cl     -6.543028     -4.196772      8.487450
  H      -2.404983     -3.251305     -0.782537
  H      -1.366257     -1.059175     -1.149298
  H      -0.996301      0.512581      0.751781
  H      -1.545786     -0.184303      3.068724
  H      -2.575408     -2.101618      5.727824
  H      -6.485229     -7.816390      5.746522
  H      -8.766025     -7.106115      6.351989
  H      -9.603033     -4.853852      5.690299
  H      -8.148370     -3.294963      4.443284
  H      -6.582513     -2.100245      4.183207
  H       0.802024     -5.657888      5.510674
  H       1.293922     -4.983182      7.830854
  H      -0.460869     -3.902466      9.237121
  H      -2.749880     -3.553409      8.341900
  H      -5.373770     -3.360625      6.206960
  N      -6.724434     -4.848948      1.497558
  N      -7.621484     -4.105994      1.628937
  H      -8.394438     -4.082141      0.896028
74
Coordinates from ORCA-job orca E -7353.187321802901
  N      -3.127090     -4.175491      1.740313
  C      -3.552967     -5.076996      0.672916
  C      -3.776952     -6.464652      1.266642
  N      -2.975795     -6.585883      2.508926
  C      -3.315923     -7.845016      3.245725
  C      -4.105406     -7.511318      4.510163
  N      -4.741303     -6.225661      4.280439
  Mo     -3.531812     -4.711292      3.699327
  N      -1.682324     -5.319763      4.336047
  C      -0.781055     -6.109731      3.501498
  C      -1.516175     -6.492713      2.225332
  H      -0.465025     -7.002406      4.068699
  H       0.131332     -5.545682      3.246192
  H      -1.155956     -7.451803      1.819781
  H      -1.365843     -5.725435      1.461469
  H      -4.843091     -8.300961      4.711662
  H      -3.439175     -7.440821      5.384974
  H      -3.909399     -8.479613      2.573514
  H      -2.390926     -8.382626      3.487196
  H      -2.784861     -5.116753     -0.115250
  H      -4.482074     -4.708296      0.210723
  H      -3.483749     -7.251719      0.548987
  H      -4.829731     -6.626520      1.511402
  C      -2.492995     -3.032986      1.392902
  C      -2.161504     -2.620865      0.075495
  C      -1.592593     -1.380053     -0.129083
  C      -1.369404     -0.491288      0.949719
  C      -1.667537     -0.874942      2.239067
  C      -2.181974     -2.169245      2.487241
  N      -2.525020     -2.646211      3.722711
  C      -1.972566     -2.116382      4.825298
  C      -0.626535     -1.673021      5.041880
  O      -0.208454     -1.042407      5.985161
  Cl      0.628751     -2.348040      3.832093
  C      -6.004019     -5.958513      4.716953
  C      -6.843182     -6.834096      5.437784
  C      -8.124505     -6.430468      5.785838
  C      -8.592291     -5.157865      5.423169
  C      -7.772333     -4.273812      4.728755
  C      -6.465116     -4.653996      4.382678
  N      -5.552861     -3.877949      3.653182
  C      -5.930288     -2.585540      3.442454
  C      -5.570119     -1.842145      2.287464
  O      -5.105472     -2.176587      1.218340
  Cl     -6.034157     -0.050905      2.529695
  C      -1.276471     -5.016078      5.596287
  C       0.020406     -5.227494      6.130409
  C       0.292956     -4.847676      7.430135
  C      -0.705970     -4.244329      8.233502
  C      -1.979856     -4.046734      7.744817
  C      -2.295998     -4.449257      6.424981
  N      -3.515091     -4.308169      5.831268
  C      -4.646672     -4.084846      6.570098
  C      -4.974381     -4.861943      7.708007
  O      -4.438913     -5.828442      8.210844
  Cl     -6.550183     -4.203673      8.482842
  H      -2.396354     -3.254049     -0.778127
  H      -1.355585     -1.060805     -1.145183
  H      -0.987445      0.511165      0.755901
  H      -1.538269     -0.185340      3.072669
  H      -2.568957     -2.109886      5.736069
  H      -6.484052     -7.814104      5.748741
  H      -8.762453     -7.105004      6.357782
  H      -9.602094     -4.851041      5.697627
  H      -8.152840     -3.294410      4.445180
  H      -6.598950     -2.102063      4.154195
  H       0.806859     -5.650569      5.507265
  H       1.298633     -4.983886      7.831163
  H      -0.457695     -3.911437      9.242327
  H      -2.747986     -3.562390      8.347005
  H      -5.373971     -3.368360      6.202644
  N      -6.752817     -4.862692      1.497694
  N      -7.622327     -4.092178      1.636376
  H      -8.404588     -4.047883      0.918225
74
Coordinates from ORCA-job orca E -7353.188030204477
  N      -3.126712     -4.174792      1.742693
  C      -3.560489     -5.072996      0.677680
  C      -3.779855     -6.461970      1.269180
  N      -2.973217     -6.582470      2.508760
  C      -3.308054     -7.841793      3.247580
  C      -4.105475     -7.511344      4.508842
  N      -4.739687     -6.224597      4.280462
  Mo     -3.532878     -4.709000      3.701704
  N      -1.680182     -5.316563      4.336128
  C      -0.777949     -6.099974      3.497098
  C      -1.514603     -6.485845      2.222637
  H      -0.454624     -6.991955      4.061399
  H       0.130264     -5.530189      3.239592
  H      -1.152027     -7.444691      1.818135
  H      -1.366256     -5.719586      1.457425
  H      -4.844145     -8.301751      4.702885
  H      -3.445537     -7.444178      5.388501
  H      -3.891965     -8.483761      2.573791
  H      -2.380219     -8.371426      3.496219
  H      -2.798712     -5.111284     -0.116341
  H      -4.493526     -4.701281      0.225285
  H      -3.489087     -7.247860      0.549480
  H      -4.830984     -6.623222      1.525400
  C      -2.490123     -3.034431      1.395382
  C      -2.157306     -2.623312      0.078123
  C      -1.586265     -1.383664     -0.127324
  C      -1.361753     -0.494637      0.950907
  C      -1.659905     -0.877762      2.240493
  C      -2.176653     -2.171349      2.489672
  N      -2.520418     -2.645618      3.726142
  C      -1.969991     -2.114662      4.828562
  C      -0.625471     -1.667279      5.047107
  O      -0.209561     -1.038250      5.991755
  Cl      0.633121     -2.336460      3.838032
  C      -6.003164     -5.958859      4.717847
  C      -6.840582     -6.834718      5.439690
  C      -8.121808     -6.431183      5.789505
  C      -8.590825     -5.158751      5.427703
  C      -7.773711     -4.274906      4.731017
  C      -6.466868     -4.655200      4.382058
  N      -5.557807     -3.880943      3.646571
  C      -5.942641     -2.593477      3.423156
  C      -5.582350     -1.857751      2.263097
  O      -5.110082     -2.197412      1.202487
  Cl     -6.063541     -0.065790      2.486169
  C      -1.274965     -5.017481      5.596149
  C       0.021689     -5.231128      6.129553
  C       0.293853     -4.857917      7.430730
  C      -0.704979     -4.258266      8.237094
  C      -1.978465     -4.057850      7.749279
  C      -2.294637     -4.453782      6.427351
  N      -3.512582     -4.307847      5.833604
  C      -4.645187     -4.081647      6.568983
  C      -4.977048     -4.856297      7.706553
  O      -4.448182     -5.825301      8.211546
  Cl     -6.550388     -4.189009      8.477416
  H      -2.392778     -3.257206     -0.774698
  H      -1.348498     -1.065230     -1.143575
  H      -0.978562      0.507402      0.756546
  H      -1.529143     -0.188419      3.074038
  H      -2.568526     -2.109057      5.737973
  H      -6.479964     -7.813879      5.751481
  H      -8.757791     -7.106206      6.362833
  H      -9.600146     -4.851226      5.704201
  H      -8.156400     -3.296185      4.448457
  H      -6.612383     -2.104461      4.128409
  H       0.808150     -5.650385      5.503705
  H       1.298862     -4.996088      7.831438
  H      -0.456606     -3.931046      9.247464
  H      -2.746757     -3.576166      8.353215
  H      -5.369097     -3.362827      6.198948
  N      -6.779291     -4.876038      1.500328
  N      -7.618460     -4.078203      1.644520
  H      -8.408632     -4.011353      0.939987
74
Coordinates from ORCA-job orca E -7353.188709186530
  N      -3.127616     -4.173926      1.744898
  C      -3.565856     -5.069196      0.682373
  C      -3.781831     -6.458745      1.271728
  N      -2.972312     -6.578699      2.509528
  C      -3.302176     -7.838727      3.249224
  C      -4.106811     -7.511619      4.507474
  N      -4.739031     -6.223755      4.280644
  Mo     -3.534569     -4.706935      3.703842
  N      -1.679832     -5.314516      4.337033
  C      -0.776700     -6.092356      3.494092
  C      -1.514507     -6.479889      2.221237
  H      -0.447505     -6.983743      4.055821
  H       0.128083     -5.517820      3.235254
  H      -1.150607     -7.438537      1.817424
  H      -1.367794     -5.714126      1.455262
  H      -4.846272     -8.302539      4.695434
  H      -3.451985     -7.447722      5.391105
  H      -3.877675     -8.486662      2.574203
  H      -2.372138     -8.361478      3.503782
  H      -2.807972     -5.106892     -0.115229
  H      -4.501634     -4.694611      0.236477
  H      -3.491646     -7.244039      0.551614
  H      -4.833273     -6.618132      1.536799
  C      -2.488123     -3.035356      1.397850
  C      -2.154479     -2.624909      0.080498
  C      -1.580485     -1.386758     -0.125584
  C      -1.353424     -0.497980      0.952335
  C      -1.651611     -0.880922      2.241993
  C      -2.171275     -2.173601      2.491637
  N      -2.515727     -2.646985      3.728731
  C      -1.965993     -2.115521      4.831362
  C      -0.621802     -1.667930      5.052287
  O      -0.206862     -1.039192      5.997379
  Cl      0.638783     -2.335601      3.844951
  C      -6.002855     -5.959332      4.718577
  C      -6.838978     -6.835212      5.441742
  C      -8.120070     -6.432024      5.792493
  C      -8.590141     -5.160125      5.430692
  C      -7.775122     -4.276907      4.732072
  C      -6.468411     -4.656901      4.380807
  N      -5.562246     -3.883944      3.640493
  C      -5.954660     -2.602068      3.404474
  C      -5.594187     -1.871418      2.241161
  O      -5.112419     -2.213283      1.186498
  Cl     -6.090944     -0.084338      2.445258
  C      -1.273908     -5.017631      5.596430
  C       0.023382     -5.230926      6.128392
  C       0.296107     -4.860284      7.429861
  C      -0.702839     -4.263549      8.238378
  C      -1.976985     -4.063152      7.752017
  C      -2.293724     -4.455957      6.429395
  N      -3.511518     -4.308057      5.835443
  C      -4.645563     -4.082055      6.568984
  C      -4.978908     -4.857692      7.706264
  O      -4.451411     -5.827516      8.212373
  Cl     -6.554481     -4.190892      8.474291
  H      -2.391682     -3.258455     -0.771957
  H      -1.342279     -1.069083     -1.142031
  H      -0.968431      0.503421      0.757697
  H      -1.518913     -0.192053      3.075686
  H      -2.565877     -2.109198      5.739472
  H      -6.476289     -7.813307      5.754129
  H      -8.755174     -7.106899      6.367065
  H      -9.598875     -4.852122      5.708926
  H      -8.159185     -3.298917      4.450811
  H      -6.626217     -2.109135      4.103495
  H       0.809843     -5.647325      5.500496
  H       1.301337     -4.997721      7.830110
  H      -0.453451     -3.938646      9.249157
  H      -2.745056     -3.583233      8.357604
  H      -5.369157     -3.363405      6.198105
  N      -6.803617     -4.885876      1.501579
  N      -7.612665     -4.059573      1.651707
  H      -8.412310     -3.967831      0.964611
74
Coordinates from ORCA-job orca E -7353.189388987741
  N      -3.130098     -4.173021      1.746477
  C      -3.570783     -5.065917      0.685896
  C      -3.783084     -6.456010      1.274093
  N      -2.971118     -6.574721      2.510631
  C      -3.294872     -7.836181      3.250262
  C      -4.106845     -7.513271      4.505593
  N      -4.737024     -6.224120      4.281211
  Mo     -3.536272     -4.705860      3.705720
  N      -1.679752     -5.313973      4.338813
  C      -0.775187     -6.086129      3.492014
  C      -1.513870     -6.473996      2.220018
  H      -0.440817     -6.977224      4.051078
  H       0.126553     -5.506821      3.233135
  H      -1.149401     -7.432331      1.816124
  H      -1.368621     -5.707991      1.454019
  H      -4.847204     -8.304507      4.688058
  H      -3.456153     -7.452994      5.392604
  H      -3.861674     -8.490152      2.573886
  H      -2.362320     -8.351512      3.510300
  H      -2.815914     -5.103223     -0.114250
  H      -4.508340     -4.688743      0.244984
  H      -3.492022     -7.241541      0.555343
  H      -4.835035     -6.611891      1.548422
  C      -2.488501     -3.035206      1.399946
  C      -2.155415     -2.624385      0.082329
  C      -1.578662     -1.387521     -0.123912
  C      -1.347872     -0.499663      0.954100
  C      -1.645316     -0.883271      2.243665
  C      -2.167746     -2.175193      2.493028
  N      -2.511555     -2.650022      3.730462
  C      -1.960355     -2.119174      4.833463
  C      -0.615598     -1.672822      5.054883
  O      -0.199584     -1.045769      6.001035
  Cl      0.644913     -2.337661      3.844660
  C      -6.001312     -5.961363      4.719532
  C      -6.836768     -6.837428      5.443695
  C      -8.117699     -6.434626      5.794651
  C      -8.588427     -5.162775      5.433127
  C      -7.774762     -4.279866      4.733297
  C      -6.468047     -4.660006      4.379867
  N      -5.564478     -3.888868      3.634959
  C      -5.964276     -2.611952      3.385945
  C      -5.605107     -1.885270      2.219329
  O      -5.113578     -2.227549      1.170016
  Cl     -6.120540     -0.100535      2.409023
  C      -1.273819     -5.019507      5.598055
  C       0.023546     -5.232661      6.129409
  C       0.295884     -4.863539      7.431002
  C      -0.703473     -4.268333      8.240323
  C      -1.977714     -4.067457      7.754418
  C      -2.294238     -4.458534      6.431609
  N      -3.511308     -4.308138      5.836399
  C      -4.646156     -4.079140      6.567862
  C      -4.981426     -4.852797      7.705801
  O      -4.456753     -5.822194      8.215233
  Cl     -6.555968     -4.182303      8.469551
  H      -2.395139     -3.256384     -0.770419
  H      -1.340925     -1.070092     -1.140575
  H      -0.961025      0.501141      0.759547
  H      -1.509999     -0.195481      3.077871
  H      -2.559827     -2.113480      5.742632
  H      -6.471856     -7.814726      5.756059
  H      -8.753114     -7.108996      6.369886
  H      -9.596595     -4.854670      5.713084
  H      -8.159247     -3.301848      4.453674
  H      -6.638530     -2.115272      4.079803
  H       0.810307     -5.647529      5.500745
  H       1.300762     -5.000370      7.831842
  H      -0.453528     -3.944882      9.251308
  H      -2.745384     -3.588373      8.361247
  H      -5.368280     -3.359653      6.196081
  N      -6.826381     -4.893889      1.503916
  N      -7.604806     -4.039891      1.658845
  H      -8.415006     -3.919988      0.989475
74
Coordinates from ORCA-job orca E -7353.190054879673
  N      -3.132757     -4.171397      1.747086
  C      -3.575789     -5.063327      0.687812
  C      -3.785640     -6.453506      1.277047
  N      -2.970503     -6.570175      2.512231
  C      -3.288139     -7.833057      3.251743
  C      -4.106792     -7.514473      4.504070
  N      -4.735161     -6.224252      4.281965
  Mo     -3.537862     -4.704430      3.706688
  N      -1.679720     -5.313285      4.340168
  C      -0.773609     -6.080074      3.489861
  C      -1.513697     -6.468001      2.218530
  H      -0.434602     -6.970867      4.046491
  H       0.125308     -5.496419      3.231078
  H      -1.149541     -7.426150      1.814086
  H      -1.370429     -5.701660      1.452494
  H      -4.848522     -8.305551      4.681301
  H      -3.459423     -7.458023      5.393908
  H      -3.846930     -8.492506      2.574158
  H      -2.353004     -8.340889      3.516378
  H      -2.823757     -5.101418     -0.114859
  H      -4.514463     -4.684417      0.250548
  H      -3.494174     -7.240552      0.560821
  H      -4.836966     -6.604319      1.559862
  C      -2.487748     -3.034945      1.400812
  C      -2.154408     -2.624408      0.082922
  C      -1.573842     -1.389323     -0.123056
  C      -1.339313     -0.502592      0.955316
  C      -1.637523     -0.886072      2.244698
  C      -2.163729     -2.176487      2.493301
  N      -2.508756     -2.652337      3.730339
  C      -1.957953     -2.119753      4.833147
  C      -0.612859     -1.675815      5.055904
  O      -0.196616     -1.046730      6.000801
  Cl      0.648251     -2.345905      3.849300
  C      -5.999283     -5.962474      4.721128
  C      -6.833577     -6.838354      5.447333
  C      -8.113891     -6.435965      5.799321
  C      -8.585408     -5.164338      5.437642
  C      -7.773216     -4.282196      4.735374
  C      -6.466839     -4.662282      4.379265
  N      -5.565085     -3.893352      3.630107
  C      -5.973017     -2.621534      3.367157
  C      -5.615109     -1.897540      2.197735
  O      -5.114353     -2.238248      1.151498
  Cl     -6.150659     -0.117903      2.375420
  C      -1.274007     -5.020618      5.599573
  C       0.023510     -5.233184      6.130896
  C       0.294763     -4.865188      7.432768
  C      -0.705759     -4.271877      8.242392
  C      -1.980036     -4.071231      7.756455
  C      -2.295372     -4.460610      6.433244
  N      -3.511506     -4.308317      5.836700
  C      -4.647440     -4.079859      6.567536
  C      -4.982811     -4.855374      7.705242
  O      -4.456076     -5.823545      8.215474
  Cl     -6.562169     -4.191605      8.466170
  H      -2.396775     -3.254535     -0.770510
  H      -1.335695     -1.072513     -1.139813
  H      -0.949264      0.496932      0.761154
  H      -1.499361     -0.199408      3.079416
  H      -2.558055     -2.109894      5.740610
  H      -6.466281     -7.814781      5.759668
  H      -8.749359     -7.109116      6.376045
  H      -9.592729     -4.856229      5.720269
  H      -8.158008     -3.304009      4.457176
  H      -6.649742     -2.121793      4.056837
  H       0.810974     -5.646761      5.502258
  H       1.299435     -5.001083      7.834526
  H      -0.455996     -3.949425      9.253685
  H      -2.747693     -3.593325      8.364444
  H      -5.370732     -3.361482      6.196095
  N      -6.849077     -4.899255      1.506160
  N      -7.596363     -4.018421      1.666032
  H      -8.417807     -3.868235      1.016780
74
Coordinates from ORCA-job orca E -7353.190701630601
  N      -3.134253     -4.169593      1.747728
  C      -3.579786     -5.061470      0.688819
  C      -3.788681     -6.451570      1.280192
  N      -2.969484     -6.566654      2.513667
  C      -3.281856     -7.831036      3.252559
  C      -4.106890     -7.517231      4.501801
  N      -4.733522     -6.226039      4.281951
  Mo     -3.538738     -4.704109      3.707259
  N      -1.679514     -5.314034      4.341316
  C      -0.771596     -6.075759      3.488178
  C      -1.513028     -6.463264      2.216867
  H      -0.428769     -6.966510      4.042486
  H       0.124895     -5.488164      3.229854
  H      -1.149685     -7.421217      1.811357
  H      -1.371748     -5.696422      1.450953
  H      -4.850741     -8.307797      4.672795
  H      -3.462962     -7.465269      5.394616
  H      -3.833342     -8.495034      2.573240
  H      -2.344175     -8.331704      3.521126
  H      -2.830501     -5.100430     -0.116583
  H      -4.519344     -4.681989      0.254436
  H      -3.498477     -7.240634      0.566098
  H      -4.838206     -6.596613      1.570179
  C      -2.486945     -3.033969      1.402105
  C      -2.153822     -2.622763      0.084318
  C      -1.571113     -1.388425     -0.120438
  C      -1.334424     -0.503268      0.958905
  C      -1.633161     -0.887420      2.247986
  C      -2.161461     -2.177032      2.495129
  N      -2.506424     -2.655651      3.731504
  C      -1.953997     -2.124581      4.834976
  C      -0.607990     -1.684619      5.057400
  O      -0.189603     -1.056947      6.002692
  Cl      0.651371     -2.355520      3.847466
  C      -5.997384     -5.964844      4.721610
  C      -6.830733     -6.841118      5.449042
  C      -8.110642     -6.439717      5.801911
  C      -8.582728     -5.168096      5.440305
  C      -7.771431     -4.286106      4.736208
  C      -6.465406     -4.665439      4.378115
  N      -5.564144     -3.898419      3.626010
  C      -5.981690     -2.631933      3.348299
  C      -5.625327     -1.910011      2.175983
  O      -5.115591     -2.247875      1.132683
  Cl     -6.184839     -0.135888      2.344453
  C      -1.274525     -5.022535      5.601248
  C       0.023058     -5.234680      6.133321
  C       0.293461     -4.865850      7.435262
  C      -0.707529     -4.271729      8.243941
  C      -1.981577     -4.071385      7.757368
  C      -2.296430     -4.462170      6.434388
  N      -3.511915     -4.309569      5.836795
  C      -4.647510     -4.077989      6.567094
  C      -4.984013     -4.850041      7.705966
  O      -4.459790     -5.817462      8.218481
  Cl     -6.558685     -4.179961      8.466697
  H      -2.397910     -3.250850     -0.770237
  H      -1.332882     -1.071175     -1.137002
  H      -0.942251      0.495614      0.765806
  H      -1.493049     -0.201950      3.083335
  H      -2.552771     -2.115435      5.744103
  H      -6.461807     -7.817085      5.761094
  H      -8.746138     -7.112157      6.379574
  H      -9.589386     -4.860445      5.725300
  H      -8.156588     -3.307564      4.459220
  H      -6.661270     -2.129786      4.034265
  H       0.811077     -5.648456      5.505612
  H       1.298020     -5.001122      7.837981
  H      -0.457961     -3.948111      9.255106
  H      -2.748661     -3.592863      8.365345
  H      -5.369682     -3.359096      6.194772
  N      -6.871277     -4.903613      1.507478
  N      -7.586565     -3.996758      1.672131
  H      -8.418091     -3.815631      1.044212
74
Coordinates from ORCA-job orca E -7353.191327963628
  N      -3.134992     -4.167121      1.747438
  C      -3.582878     -5.060145      0.689035
  C      -3.791813     -6.449560      1.284088
  N      -2.967694     -6.562870      2.515453
  C      -3.275311     -7.828201      3.254605
  C      -4.106181     -7.518305      4.500948
  N      -4.731301     -6.226335      4.282482
  Mo     -3.538792     -4.702357      3.707263
  N      -1.679066     -5.313117      4.341812
  C      -0.769143     -6.070493      3.486804
  C      -1.511698     -6.458231      2.215483
  H      -0.423027     -6.961087      4.039326
  H       0.125003     -5.479219      3.228808
  H      -1.149069     -7.416045      1.809108
  H      -1.372558     -5.691185      1.449474
  H      -4.852352     -8.308062      4.665692
  H      -3.465789     -7.470488      5.396715
  H      -3.820202     -8.496492      2.573923
  H      -2.335094     -8.322065      3.526783
  H      -2.836037     -5.100256     -0.118783
  H      -4.523025     -4.681062      0.256302
  H      -3.504807     -7.241357      0.571869
  H      -4.838658     -6.588270      1.580481
  C      -2.485176     -3.033149      1.401373
  C      -2.151571     -2.622505      0.083654
  C      -1.566316     -1.389170     -0.120372
  C      -1.328089     -0.505060      0.959498
  C      -1.628222     -0.888578      2.248612
  C      -2.158931     -2.176984      2.495002
  N      -2.504843     -2.656761      3.730704
  C      -1.952482     -2.124790      4.834117
  C      -0.606046     -1.687847      5.056353
  O      -0.186150     -1.059623      6.000679
  Cl      0.652501     -2.363874      3.847146
  C      -5.994422     -5.964546      4.723750
  C      -6.825852     -6.839992      5.454345
  C      -8.104953     -6.438865      5.809510
  C      -8.578157     -5.167918      5.446648
  C      -7.768778     -4.287288      4.738386
  C      -6.463385     -4.666073      4.377853
  N      -5.562405     -3.901770      3.622056
  C      -5.990384     -2.641210      3.328465
  C      -5.634939     -1.921153      2.153362
  O      -5.115362     -2.255521      1.114003
  Cl     -6.222933     -0.153241      2.312732
  C      -1.275492     -5.022971      5.602499
  C       0.021507     -5.236165      6.136206
  C       0.289861     -4.869111      7.438987
  C      -0.712302     -4.275448      8.246893
  C      -1.985465     -4.074075      7.758877
  C      -2.298323     -4.463134      6.434884
  N      -3.512739     -4.309755      5.836239
  C      -4.649086     -4.081012      6.567425
  C      -4.984333     -4.856266      7.705210
  O      -4.455668     -5.822848      8.215718
  Cl     -6.564483     -4.195402      8.467265
  H      -2.396832     -3.249306     -0.771669
  H      -1.327235     -1.072252     -1.136832
  H      -0.933237      0.492830      0.767006
  H      -1.486202     -0.203637      3.084061
  H      -2.551005     -2.113155      5.742871
  H      -6.455701     -7.815162      5.767426
  H      -8.739315     -7.109798      6.389913
  H      -9.583903     -4.860262      5.734799
  H      -8.155105     -3.308892      4.461612
  H      -6.672751     -2.136626      4.010600
  H       0.810483     -5.650076      5.509897
  H       1.293761     -5.005684      7.842888
  H      -0.464440     -3.952895      9.258750
  H      -2.752965     -3.596331      8.367124
  H      -5.373585     -3.364055      6.195663
  N      -6.893450     -4.905485      1.508870
  N      -7.575321     -3.974686      1.678072
  H      -8.415829     -3.762136      1.071972
74
Coordinates from ORCA-job orca E -7353.191935661516
  N      -3.134297     -4.165243      1.747632
  C      -3.584336     -5.059136      0.689865
  C      -3.794823     -6.447373      1.287566
  N      -2.966018     -6.560177      2.516350
  C      -3.270082     -7.826337      3.255801
  C      -4.105870     -7.520139      4.499599
  N      -4.730036     -6.227769      4.282245
  Mo     -3.538701     -4.701299      3.706782
  N      -1.678485     -5.312769      4.341604
  C      -0.767173     -6.066331      3.485084
  C      -1.510604     -6.454244      2.213770
  H      -0.418291     -6.957046      4.035603
  H       0.124999     -5.472205      3.226933
  H      -1.148209     -7.411771      1.806407
  H      -1.373205     -5.686893      1.447836
  H      -4.853973     -8.309556      4.657400
  H      -3.469741     -7.476148      5.398560
  H      -3.809439     -8.497779      2.573735
  H      -2.327785     -8.314504      3.530675
  H      -2.839203     -5.100298     -0.119577
  H      -4.525059     -4.680701      0.258155
  H      -3.512980     -7.241093      0.575396
  H      -4.839452     -6.581219      1.588256
  C      -2.482613     -3.032810      1.401382
  C      -2.147974     -2.622444      0.084202
  C      -1.561136     -1.389560     -0.118815
  C      -1.323047     -0.506481      0.961694
  C      -1.624681     -0.889697      2.250719
  C      -2.156929     -2.177412      2.496376
  N      -2.503808     -2.657767      3.731482
  C      -1.951813     -2.126039      4.835421
  C      -0.605330     -1.690959      5.058069
  O      -0.184453     -1.063395      6.002318
  Cl      0.653167     -2.368606      3.848285
  C      -5.992363     -5.965737      4.724589
  C      -6.821741     -6.841430      5.457127
  C      -8.100678     -6.441596      5.814321
  C      -8.575295     -5.171337      5.450874
  C      -7.767905     -4.291085      4.739653
  C      -6.462867     -4.668055      4.377040
  N      -5.561880     -3.905011      3.618706
  C      -6.001466     -2.651397      3.310664
  C      -5.644989     -1.931386      2.134567
  O      -5.113996     -2.260688      1.099364
  Cl     -6.261598     -0.174500      2.282722
  C      -1.276264     -5.024264      5.602764
  C       0.020485     -5.238699      6.137628
  C       0.288170     -4.872813      7.440918
  C      -0.714021     -4.278493      8.248462
  C      -1.986649     -4.076327      7.759720
  C      -2.299336     -4.465087      6.435181
  N      -3.513286     -4.311072      5.836586
  C      -4.648680     -4.080311      6.568047
  C      -4.984739     -4.852442      7.706386
  O      -4.459595     -5.820349      8.216757
  Cl     -6.558771     -4.182976      8.471613
  H      -2.393372     -3.248773     -0.771491
  H      -1.320797     -1.072461     -1.134888
  H      -0.926370      0.490862      0.770104
  H      -1.481777     -0.205022      3.086198
  H      -2.550629     -2.114219      5.743995
  H      -6.450750     -7.815962      5.771185
  H      -8.733048     -7.112525      6.396739
  H      -9.580443     -4.863902      5.741351
  H      -8.156364     -3.313155      4.463645
  H      -6.686573     -2.146188      3.988552
  H       0.809820     -5.652618      5.511871
  H       1.292012     -5.010656      7.844896
  H      -0.466878     -3.955847      9.260556
  H      -2.754118     -3.598276      8.367549
  H      -5.371669     -3.362477      6.195073
  N      -6.916302     -4.906620      1.507742
  N      -7.563502     -3.953457      1.682750
  H      -8.410938     -3.710487      1.099890
74
Coordinates from ORCA-job orca E -7353.192528651738
  N      -3.133161     -4.163445      1.747752
  C      -3.584305     -5.058267      0.690969
  C      -3.796872     -6.445031      1.291497
  N      -2.963647     -6.558604      2.517234
  C      -3.264826     -7.825024      3.257624
  C      -4.105516     -7.521468      4.499220
  N      -4.728199     -6.228386      4.282744
  Mo     -3.537673     -4.699715      3.707024
  N      -1.678626     -5.311760      4.341310
  C      -0.765611     -6.062526      3.484248
  C      -1.508953     -6.451325      2.212833
  H      -0.414516     -6.953089      4.033586
  H       0.124653     -5.465560      3.226198
  H      -1.146076     -7.408506      1.805139
  H      -1.372737     -5.683942      1.446844
  H      -4.855672     -8.310391      4.650110
  H      -3.473996     -7.481288      5.401615
  H      -3.799041     -8.499730      2.574418
  H      -2.320700     -8.308271      3.535543
  H      -2.839769     -5.100609     -0.119108
  H      -4.525175     -4.680637      0.258695
  H      -3.522880     -7.240758      0.578178
  H      -4.840096     -6.573923      1.596022
  C      -2.480318     -3.032369      1.400708
  C      -2.144612     -2.622459      0.084019
  C      -1.556249     -1.390071     -0.118381
  C      -1.318522     -0.507753      0.962425
  C      -1.621511     -0.890423      2.251553
  C      -2.155141     -2.177542      2.496952
  N      -2.502427     -2.658194      3.731718
  C      -1.949597     -2.127606      4.836266
  C      -0.602416     -1.695931      5.058813
  O      -0.178760     -1.070455      6.003122
  Cl      0.654258     -2.375334      3.846312
  C      -5.989983     -5.965382      4.726753
  C      -6.817247     -6.840513      5.462042
  C      -8.096059     -6.441438      5.821229
  C      -8.572509     -5.172387      5.455931
  C      -7.767697     -4.292892      4.741001
  C      -6.462394     -4.668321      4.377075
  N      -5.561508     -3.906763      3.615873
  C      -6.012505     -2.660026      3.292870
  C      -5.654431     -1.940101      2.115726
  O      -5.111312     -2.264884      1.087329
  Cl     -6.304521     -0.191221      2.252782
  C      -1.277246     -5.023620      5.602844
  C       0.019189     -5.238912      6.138909
  C       0.286318     -4.873922      7.442654
  C      -0.716197     -4.279360      8.249730
  C      -1.988456     -4.076810      7.760128
  C      -2.300695     -4.464824      6.434916
  N      -3.514727     -4.311598      5.836312
  C      -4.650419     -4.083480      6.569186
  C      -4.985292     -4.858298      7.705840
  O      -4.458999     -5.827874      8.212814
  Cl     -6.560094     -4.190866      8.475677
  H      -2.389810     -3.248680     -0.771786
  H      -1.314547     -1.073089     -1.134186
  H      -0.920161      0.489048      0.771398
  H      -1.477663     -0.205722      3.086783
  H      -2.548083     -2.116109      5.745483
  H      -6.445959     -7.814242      5.778322
  H      -8.726011     -7.112134      6.406435
  H      -9.577231     -4.865010      5.748171
  H      -8.159288     -3.316082      4.464848
  H      -6.700668     -2.152818      3.966513
  H       0.809113     -5.652994      5.514022
  H       1.290189     -5.013037      7.846501
  H      -0.470194     -3.956616      9.262127
  H      -2.756390     -3.598930      8.367497
  H      -5.374481     -3.366420      6.196525
  N      -6.940025     -4.905026      1.506282
  N      -7.551149     -3.931155      1.686056
  H      -8.402706     -3.659134      1.124402
74
Coordinates from ORCA-job orca E -7353.193089950020
  N      -3.131912     -4.162817      1.747152
  C      -3.582949     -5.058091      0.691750
  C      -3.797823     -6.443082      1.294187
  N      -2.961763     -6.557180      2.517308
  C      -3.260160     -7.823746      3.258988
  C      -4.104179     -7.522189      4.498894
  N      -4.726388     -6.228984      4.283224
  Mo     -3.537161     -4.698329      3.705679
  N      -1.678183     -5.310367      4.340803
  C      -0.764431     -6.059429      3.483358
  C      -1.507494     -6.448898      2.211919
  H      -0.411829     -6.949982      4.031719
  H       0.124826     -5.461100      3.224988
  H      -1.143794     -7.405787      1.804217
  H      -1.371570     -5.681459      1.446048
  H      -4.855018     -8.311392      4.644541
  H      -3.476458     -7.484414      5.403844
  H      -3.790162     -8.501112      2.575400
  H      -2.314645     -8.302914      3.538920
  H      -2.837710     -5.102039     -0.117262
  H      -4.523299     -4.680601      0.258022
  H      -3.530889     -7.240111      0.579533
  H      -4.841194     -6.568942      1.601146
  C      -2.477822     -3.032736      1.399477
  C      -2.140470     -2.624038      0.083132
  C      -1.550994     -1.392025     -0.119503
  C      -1.314307     -0.509370      0.961104
  C      -1.618856     -0.891053      2.250259
  C      -2.153665     -2.177823      2.496070
  N      -2.502432     -2.657502      3.730716
  C      -1.950765     -2.125800      4.835645
  C      -0.604035     -1.693656      5.059525
  O      -0.180401     -1.068700      6.004207
  Cl      0.654447     -2.372661      3.847565
  C      -5.986924     -5.965670      4.728791
  C      -6.811544     -6.840727      5.466974
  C      -8.090239     -6.442982      5.828202
  C      -8.568988     -5.175317      5.461634
  C      -7.767350     -4.296250      4.743309
  C      -6.461798     -4.669670      4.376997
  N      -5.562191     -3.908629      3.613284
  C      -6.024403     -2.669351      3.278138
  C      -5.661899     -1.946006      2.103202
  O      -5.103649     -2.263288      1.080942
  Cl     -6.341542     -0.209813      2.227928
  C      -1.278350     -5.024321      5.602569
  C       0.017220     -5.241768      6.139655
  C       0.283298     -4.879954      7.444082
  C      -0.719367     -4.286016      8.251508
  C      -1.990756     -4.081664      7.761206
  C      -2.302377     -4.466901      6.435010
  N      -3.515895     -4.311801      5.836603
  C      -4.651049     -4.083417      6.569947
  C      -4.986003     -4.857896      7.706108
  O      -4.462276     -5.829312      8.212085
  Cl     -6.558178     -4.186096      8.478305
  H      -2.385111     -3.251458     -0.772006
  H      -1.307563     -1.075697     -1.135105
  H      -0.914795      0.487130      0.770124
  H      -1.474941     -0.205721      3.085047
  H      -2.551131     -2.113278      5.743430
  H      -6.438720     -7.813165      5.785202
  H      -8.717150     -7.113953      6.416225
  H      -9.573253     -4.867883      5.755559
  H      -8.162578     -3.320823      4.468098
  H      -6.715796     -2.162670      3.947382
  H       0.807434     -5.655163      5.514622
  H       1.286544     -5.021259      7.847884
  H      -0.474330     -3.965063      9.264477
  H      -2.759428     -3.604341      8.368163
  H      -5.374246     -3.365747      6.196841
  N      -6.964119     -4.901959      1.501563
  N      -7.538906     -3.909185      1.688817
  H      -8.394702     -3.606625      1.150840
74
Coordinates from ORCA-job orca E -7353.193616536500
  N      -3.131521     -4.162515      1.747289
  C      -3.582232     -5.057345      0.692507
  C      -3.799418     -6.441130      1.296327
  N      -2.960987     -6.556938      2.516845
  C      -3.256827     -7.823416      3.259512
  C      -4.103759     -7.523559      4.498180
  N      -4.724706     -6.229643      4.284054
  Mo     -3.536634     -4.697504      3.705971
  N      -1.678931     -5.309922      4.340920
  C      -0.764425     -6.057310      3.482619
  C      -1.507095     -6.447423      2.211040
  H      -0.410075     -6.947516      4.030295
  H       0.123582     -5.457218      3.224255
  H      -1.142095     -7.403862      1.803505
  H      -1.371282     -5.679795      1.445340
  H      -4.855515     -8.312773      4.639495
  H      -3.478960     -7.488698      5.405289
  H      -3.783096     -8.503550      2.575643
  H      -2.310203     -8.299216      3.541536
  H      -2.835551     -5.103399     -0.115198
  H      -4.521596     -4.679107      0.256615
  H      -3.540336     -7.239204      0.579790
  H      -4.843753     -6.563827      1.605728
  C      -2.475646     -3.033096      1.399729
  C      -2.136653     -2.624990      0.083653
  C      -1.544868     -1.394131     -0.118803
  C      -1.307638     -0.511958      0.961962
  C      -1.613810     -0.893159      2.250916
  C      -2.151092     -2.178988      2.496442
  N      -2.501153     -2.658342      3.730817
  C      -1.948563     -2.127932      4.836521
  C      -0.601171     -1.699963      5.061897
  O      -0.175197     -1.077009      6.006843
  Cl      0.656047     -2.380780      3.848816
  C      -5.984920     -5.966742      4.730862
  C      -6.807417     -6.842527      5.470949
  C      -8.086570     -6.447126      5.832669
  C      -8.568071     -5.180978      5.464555
  C      -7.769311     -4.301101      4.744246
  C      -6.462387     -4.671726      4.377231
  N      -5.564286     -3.910050      3.611771
  C      -6.037494     -2.677492      3.264605
  C      -5.670107     -1.950727      2.092010
  O      -5.096887     -2.261293      1.077135
  Cl     -6.380826     -0.224424      2.204697
  C      -1.278861     -5.023367      5.602607
  C       0.017151     -5.239450      6.139642
  C       0.283731     -4.876485      7.443784
  C      -0.719250     -4.283066      8.251298
  C      -1.991196     -4.080422      7.761261
  C      -2.303259     -4.466247      6.435240
  N      -3.517312     -4.312033      5.837116
  C      -4.652703     -4.084515      6.571062
  C      -4.986768     -4.860014      7.706401
  O      -4.464049     -5.832516      8.211665
  Cl     -6.558432     -4.186851      8.480541
  H      -2.381506     -3.252594     -0.771198
  H      -1.299690     -1.078381     -1.134173
  H      -0.905919      0.483600      0.771360
  H      -1.468685     -0.208257      3.085778
  H      -2.549765     -2.114462      5.743717
  H      -6.432392     -7.813639      5.790881
  H      -8.711066     -7.118965      6.422483
  H      -9.572556     -4.874471      5.758705
  H      -8.168718     -3.327258      4.469506
  H      -6.732930     -2.169879      3.929547
  H       0.807701     -5.651845      5.514334
  H       1.287710     -5.016231      7.847123
  H      -0.473924     -3.960721      9.263932
  H      -2.760334     -3.603124      8.367616
  H      -5.376229     -3.367167      6.198112
  N      -6.991119     -4.896006      1.496229
  N      -7.529706     -3.885205      1.689970
  H      -8.387029     -3.553065      1.174598
74
Coordinates from ORCA-job orca E -7353.194103254312
  N      -3.130566     -4.163070      1.746323
  C      -3.580773     -5.057955      0.691853
  C      -3.800445     -6.440401      1.298177
  N      -2.959921     -6.556713      2.516478
  C      -3.253025     -7.823003      3.260460
  C      -4.101780     -7.524407      4.498208
  N      -4.722313     -6.230195      4.285549
  Mo     -3.535917     -4.697188      3.704684
  N      -1.678468     -5.309516      4.341155
  C      -0.763710     -6.056230      3.482354
  C      -1.506042     -6.446586      2.210370
  H      -0.408507     -6.946228      4.029825
  H       0.124014     -5.455678      3.223956
  H      -1.140296     -7.402875      1.803188
  H      -1.369943     -5.678905      1.444831
  H      -4.853900     -8.313714      4.637010
  H      -3.478404     -7.491494      5.406385
  H      -3.776156     -8.505687      2.576834
  H      -2.305287     -8.295561      3.543874
  H      -2.832407     -5.107079     -0.113829
  H      -4.518383     -4.678797      0.253400
  H      -3.548341     -7.240037      0.580801
  H      -4.845387     -6.560570      1.609860
  C      -2.473197     -3.033991      1.398886
  C      -2.132731     -2.627255      0.082744
  C      -1.540008     -1.396866     -0.120289
  C      -1.303358     -0.513844      0.960149
  C      -1.611174     -0.893937      2.249006
  C      -2.149596     -2.179378      2.494941
  N      -2.501532     -2.658098      3.729263
  C      -1.949607     -2.126935      4.835506
  C      -0.602537     -1.699540      5.062665
  O      -0.176820     -1.077448      6.008585
  Cl      0.656523     -2.378915      3.849454
  C      -5.981883     -5.967425      4.733252
  C      -6.802083     -6.843471      5.476048
  C      -8.081352     -6.450208      5.838054
  C      -8.565493     -5.185695      5.467888
  C      -7.769709     -4.305392      4.745111
  C      -6.461710     -4.673656      4.376988
  N      -5.564989     -3.912000      3.610588
  C      -6.047844     -2.685784      3.252805
  C      -5.674640     -1.953135      2.084309
  O      -5.086535     -2.254666      1.075206
  Cl     -6.414434     -0.238113      2.187769
  C      -1.279497     -5.023901      5.603000
  C       0.015987     -5.240358      6.140561
  C       0.281545     -4.878401      7.444844
  C      -0.721830     -4.285520      8.252348
  C      -1.993218     -4.082486      7.761906
  C      -2.304636     -4.467313      6.435622
  N      -3.518237     -4.311938      5.837587
  C      -4.653523     -4.085038      6.571946
  C      -4.986797     -4.861246      7.706973
  O      -4.464061     -5.833390      8.212759
  Cl     -6.559660     -4.189258      8.481029
  H      -2.377274     -3.255996     -0.771440
  H      -1.293271     -1.082067     -1.135582
  H      -0.900610      0.481386      0.769205
  H      -1.466275     -0.208557      3.083617
  H      -2.552797     -2.112365      5.741563
  H      -6.423787     -7.812701      5.797671
  H      -8.703753     -7.122103      6.430042
  H      -9.570121     -4.880025      5.762418
  H      -8.173043     -3.333084      4.470980
  H      -6.746983     -2.178670      3.914082
  H       0.806766     -5.652093      5.515077
  H       1.284965     -5.018289      7.848648
  H      -0.476820     -3.963800      9.265070
  H      -2.762951     -3.605448      8.367760
  H      -5.377758     -3.368385      6.199254
  N      -7.019636     -4.886763      1.489016
  N      -7.522012     -3.860571      1.690450
  H      -8.380587     -3.496017      1.199133
74
Coordinates from ORCA-job orca E -7353.194536696063
  N      -3.130379     -4.163096      1.747038
  C      -3.581809     -5.057233      0.693085
  C      -3.803227     -6.438877      1.299210
  N      -2.960651     -6.556453      2.515269
  C      -3.251646     -7.822062      3.260049
  C      -4.101087     -7.524377      4.497130
  N      -4.720557     -6.229639      4.285707
  Mo     -3.536471     -4.695923      3.704729
  N      -1.678870     -5.308304      4.341116
  C      -0.764065     -6.053363      3.480844
  C      -1.506867     -6.444790      2.209179
  H      -0.406604     -6.942739      4.027909
  H       0.122512     -5.451384      3.221673
  H      -1.139704     -7.400869      1.802681
  H      -1.371087     -5.677406      1.443319
  H      -4.853768     -8.313404      4.634481
  H      -3.478337     -7.493474      5.405890
  H      -3.772479     -8.507150      2.576861
  H      -2.303156     -8.292208      3.544888
  H      -2.832535     -5.109050     -0.111920
  H      -4.518562     -4.676883      0.253493
  H      -3.555825     -7.238749      0.580286
  H      -4.848846     -6.558299      1.612267
  C      -2.469847     -3.035419      1.400197
  C      -2.126834     -2.630427      0.084022
  C      -1.531338     -1.401660     -0.119499
  C      -1.293987     -0.518260      0.960618
  C      -1.604253     -0.896871      2.249307
  C      -2.145911     -2.180788      2.495498
  N      -2.500414     -2.657799      3.729868
  C      -1.948692     -2.127194      4.836609
  C      -0.601741     -1.702299      5.066124
  O      -0.175949     -1.082302      6.013322
  Cl      0.657907     -2.382092      3.853889
  C      -5.979284     -5.968543      4.734590
  C      -6.796118     -6.845972      5.479798
  C      -8.075790     -6.456224      5.842736
  C      -8.563611     -5.193715      5.471045
  C      -7.771326     -4.312526      4.745917
  C      -6.462286     -4.676676      4.376449
  N      -5.568623     -3.913027      3.608882
  C      -6.061460     -2.693489      3.240689
  C      -5.682340     -1.957221      2.075776
  O      -5.080788     -2.252521      1.074399
  Cl     -6.449462     -0.252187      2.167139
  C      -1.279766     -5.022692      5.602841
  C       0.016274     -5.237898      6.139858
  C       0.282112     -4.875713      7.444027
  C      -0.721530     -4.284077      8.252329
  C      -1.993330     -4.082253      7.762569
  C      -2.305052     -4.466738      6.436135
  N      -3.518710     -4.311265      5.838675
  C      -4.654645     -4.084982      6.572340
  C      -4.987176     -4.860430      7.707862
  O      -4.464066     -5.831153      8.216091
  Cl     -6.563329     -4.189747      8.479349
  H      -2.371507     -3.259756     -0.769684
  H      -1.282388     -1.088324     -1.134700
  H      -0.888557      0.475683      0.769394
  H      -1.458366     -0.211895      3.084006
  H      -2.553540     -2.111579      5.741440
  H      -6.413341     -7.813120      5.802427
  H      -8.695364     -7.128823      6.436734
  H      -9.568672     -4.889661      5.765964
  H      -8.179010     -3.342062      4.471712
  H      -6.765082     -2.185933      3.897207
  H       0.807004     -5.648057      5.513274
  H       1.285862     -5.013898      7.847806
  H      -0.475759     -3.962351      9.264956
  H      -2.763419     -3.605822      8.368427
  H      -5.379977     -3.369920      6.198744
  N      -7.051253     -4.879365      1.478910
  N      -7.517088     -3.835855      1.691120
  H      -8.374691     -3.441408      1.223845
74
Coordinates from ORCA-job orca E -7353.194935337327
  N      -3.130050     -4.164534      1.746410
  C      -3.580728     -5.058600      0.690818
  C      -3.804800     -6.439937      1.300549
  N      -2.959957     -6.557530      2.515252
  C      -3.248498     -7.823060      3.260971
  C      -4.098920     -7.526158      4.498295
  N      -4.718385     -6.230892      4.288660
  Mo     -3.535405     -4.697155      3.705351
  N      -1.678940     -5.310100      4.342405
  C      -0.763862     -6.054113      3.480952
  C      -1.506256     -6.444997      2.208594
  H      -0.405645     -6.943372      4.027542
  H       0.122278     -5.451412      3.222307
  H      -1.138583     -7.400734      1.801837
  H      -1.370782     -5.677026      1.443285
  H      -4.852053     -8.314946      4.635062
  H      -3.475664     -7.496729      5.407021
  H      -3.767580     -8.510135      2.578253
  H      -2.299023     -8.290924      3.546323
  H      -2.829440     -5.113187     -0.112258
  H      -4.515181     -4.676479      0.248171
  H      -3.563642     -7.242013      0.581847
  H      -4.849865     -6.556698      1.616611
  C      -2.467935     -3.037216      1.400332
  C      -2.124613     -2.632492      0.084014
  C      -1.527849     -1.404376     -0.119353
  C      -1.289322     -0.521430      0.960951
  C      -1.600295     -0.899800      2.249528
  C      -2.143484     -2.182997      2.495372
  N      -2.499695     -2.659907      3.729550
  C      -1.947855     -2.129033      4.836644
  C      -0.600535     -1.707651      5.067731
  O      -0.174141     -1.087471      6.014635
  Cl      0.659180     -2.389638      3.856349
  C      -5.979090     -5.970760      4.736311
  C      -6.794942     -6.849202      5.482223
  C      -8.076000     -6.462781      5.842169
  C      -8.566565     -5.201898      5.467317
  C      -7.776019     -4.318879      4.742169
  C      -6.464543     -4.679993      4.374949
  N      -5.570308     -3.915368      3.609436
  C      -6.070322     -2.700191      3.233092
  C      -5.683368     -1.955460      2.074178
  O      -5.066923     -2.240267      1.077346
  Cl     -6.478510     -0.262522      2.158914
  C      -1.279271     -5.022812      5.603852
  C       0.017845     -5.234936      6.140021
  C       0.284481     -4.868804      7.443044
  C      -0.719445     -4.276899      8.250971
  C      -1.992293     -4.078386      7.762203
  C      -2.304866     -4.466227      6.436898
  N      -3.519028     -4.312300      5.839810
  C      -4.655002     -4.086972      6.573891
  C      -4.985543     -4.861636      7.710367
  O      -4.460888     -5.830178      8.220650
  Cl     -6.562041     -4.192290      8.481687
  H      -2.369992     -3.261330     -0.769783
  H      -1.278325     -1.091144     -1.134449
  H      -0.882504      0.471860      0.769714
  H      -1.453698     -0.215422      3.084552
  H      -2.553758     -2.110828      5.740369
  H      -6.408236     -7.814298      5.806468
  H      -8.695436     -7.135572      6.436403
  H      -9.572894     -4.900378      5.760270
  H      -8.187404     -3.349867      4.467431
  H      -6.777605     -2.193505      3.887185
  H       0.808580     -5.644838      5.513299
  H       1.289146     -5.003295      7.846699
  H      -0.472381     -3.952016      9.262446
  H      -2.762111     -3.601395      8.367942
  H      -5.382358     -3.374041      6.200439
  N      -7.083916     -4.861868      1.472635
  N      -7.516903     -3.809234      1.689037
  H      -8.370575     -3.383365      1.244049
74
Coordinates from ORCA-job orca E -7353.195313924973
  N      -3.128841     -4.165138      1.746854
  C      -3.581634     -5.059386      0.692616
  C      -3.807039     -6.439335      1.303045
  N      -2.959719     -6.557209      2.515499
  C      -3.246168     -7.822423      3.261833
  C      -4.096932     -7.526089      4.498513
  N      -4.716037     -6.230780      4.288979
  Mo     -3.535742     -4.696875      3.704309
  N      -1.677997     -5.309126      4.341960
  C      -0.763017     -6.052303      3.479861
  C      -1.506062     -6.444151      2.207971
  H      -0.403447     -6.941186      4.026353
  H       0.122648     -5.449100      3.220299
  H      -1.138269     -7.400179      1.801946
  H      -1.371003     -5.676871      1.442037
  H      -4.850456     -8.314453      4.634859
  H      -3.473675     -7.497390      5.407235
  H      -3.763283     -8.511482      2.579736
  H      -2.295875     -8.287860      3.548144
  H      -2.830748     -5.117058     -0.110264
  H      -4.515567     -4.676826      0.249814
  H      -3.568707     -7.242189      0.584206
  H      -4.851631     -6.555940      1.621211
  C      -2.464267     -3.039424      1.400634
  C      -2.118179     -2.637207      0.084249
  C      -1.520389     -1.409662     -0.120004
  C      -1.283758     -0.524795      0.959344
  C      -1.597514     -0.900857      2.247920
  C      -2.141574     -2.183566      2.494913
  N      -2.500741     -2.658467      3.729398
  C      -1.950901     -2.126382      4.836939
  C      -0.604459     -1.702983      5.070265
  O      -0.181118     -1.083407      6.019209
  Cl      0.659154     -2.381045      3.860345
  C      -5.975859     -5.971682      4.736966
  C      -6.788573     -6.850311      5.486042
  C      -8.069640     -6.466150      5.846920
  C      -8.562994     -5.207090      5.469813
  C      -7.775448     -4.324307      4.741663
  C      -6.463724     -4.682773      4.372711
  N      -5.571094     -3.917792      3.606979
  C      -6.077902     -2.707672      3.222014
  C      -5.686839     -1.958528      2.066884
  O      -5.060429     -2.236560      1.075686
  Cl     -6.505337     -0.275070      2.143939
  C      -1.279378     -5.022996      5.603478
  C       0.017390     -5.235822      6.139737
  C       0.283182     -4.871065      7.442924
  C      -0.720810     -4.279553      8.251182
  C      -1.993117     -4.080312      7.762426
  C      -2.305245     -4.467122      6.436738
  N      -3.518968     -4.312518      5.840126
  C      -4.655110     -4.088484      6.573876
  C      -4.984537     -4.862715      7.711249
  O      -4.458097     -5.829203      8.223413
  Cl     -6.564754     -4.197517      8.480146
  H      -2.362212     -3.267391     -0.769068
  H      -1.268588     -1.098215     -1.135078
  H      -0.876114      0.468160      0.767142
  H      -1.452394     -0.215251      3.082311
  H      -2.558648     -2.108860      5.740157
  H      -6.397866     -7.813256      5.811648
  H      -8.687251     -7.138262      6.443586
  H      -9.569497     -4.906855      5.763636
  H      -8.189978     -3.356873      4.466288
  H      -6.787590     -2.201283      3.873306
  H       0.807990     -5.645391      5.512631
  H       1.287072     -5.006057      7.847114
  H      -0.473741     -3.955916      9.262832
  H      -2.763002     -3.603910      8.368511
  H      -5.384427     -3.377972      6.199627
  N      -7.120937     -4.848791      1.460578
  N      -7.516425     -3.783201      1.688801
  H      -8.366698     -3.326329      1.267052
74
Coordinates from ORCA-job orca E -7353.195668804180
  N      -3.129111     -4.165923      1.747652
  C      -3.583450     -5.060130      0.693694
  C      -3.808860     -6.440147      1.304310
  N      -2.959481     -6.557272      2.515971
  C      -3.244018     -7.822056      3.262966
  C      -4.094194     -7.525522      4.500046
  N      -4.713960     -6.230407      4.289954
  Mo     -3.536593     -4.696019      3.705535
  N      -1.678096     -5.308334      4.342233
  C      -0.762717     -6.049477      3.478909
  C      -1.506176     -6.442601      2.207593
  H      -0.400911     -6.937913      4.024704
  H       0.121526     -5.444491      3.218603
  H      -1.137567     -7.398518      1.802008
  H      -1.372285     -5.675725      1.441146
  H      -4.847392     -8.313884      4.637445
  H      -3.470053     -7.495996      5.408172
  H      -3.760704     -8.512512      2.581851
  H      -2.293078     -8.286184      3.549412
  H      -2.833064     -5.118468     -0.109778
  H      -4.517319     -4.676848      0.251221
  H      -3.570248     -7.243462      0.586005
  H      -4.852232     -6.557649      1.624607
  C      -2.461525     -3.042375      1.401228
  C      -2.113704     -2.641840      0.084788
  C      -1.513835     -1.415372     -0.120113
  C      -1.276635     -0.530023      0.958559
  C      -1.591674     -0.904650      2.247334
  C      -2.137854     -2.186216      2.495202
  N      -2.498962     -2.658925      3.730125
  C      -1.949742     -2.125939      4.837400
  C      -0.603333     -1.703269      5.071945
  O      -0.181010     -1.083858      6.021353
  Cl      0.661328     -2.381673      3.863954
  C      -5.974755     -5.973855      4.736925
  C      -6.784619     -6.853665      5.487641
  C      -8.066941     -6.473292      5.847766
  C      -8.564162     -5.216555      5.467875
  C      -7.779359     -4.332982      4.738220
  C      -6.466271     -4.687128      4.369668
  N      -5.575001     -3.919542      3.605129
  C      -6.087748     -2.713866      3.214688
  C      -5.688788     -1.957778      2.065885
  O      -5.048515     -2.226782      1.081770
  Cl     -6.533838     -0.286865      2.133345
  C      -1.279212     -5.021943      5.603437
  C       0.018163     -5.234109      6.138983
  C       0.284407     -4.869035      7.441854
  C      -0.719575     -4.277977      8.250725
  C      -1.992316     -4.079572      7.762881
  C      -2.304904     -4.466444      6.437169
  N      -3.518718     -4.312192      5.840916
  C      -4.655661     -4.089169      6.573445
  C      -4.983967     -4.860714      7.712885
  O      -4.455519     -5.824232      8.228706
  Cl     -6.567550     -4.197786      8.477968
  H      -2.357869     -3.272081     -0.768474
  H      -1.260886     -1.105165     -1.135308
  H      -0.867369      0.462134      0.765680
  H      -1.445951     -0.218898      3.081457
  H      -2.558063     -2.107240      5.740015
  H      -6.389835     -7.814225      5.815167
  H      -8.682900     -7.145563      6.445799
  H      -9.571672     -4.919088      5.761168
  H      -8.197403     -3.367503      4.461090
  H      -6.801349     -2.209279      3.863300
  H       0.808523     -5.643189      5.511274
  H       1.288448     -5.003135      7.845899
  H      -0.471763     -3.954256      9.262161
  H      -2.761819     -3.603701      8.369875
  H      -5.387080     -3.382092      6.196733
  N      -7.158929     -4.832707      1.449386
  N      -7.519529     -3.756772      1.688127
  H      -8.363311     -3.270119      1.288950
74
Coordinates from ORCA-job orca E -7353.196010195677
  N      -3.128247     -4.166785      1.748481
  C      -3.585761     -5.060943      0.695408
  C      -3.809955     -6.440941      1.306181
  N      -2.958445     -6.557063      2.516964
  C      -3.241182     -7.822005      3.264354
  C      -4.090967     -7.525659      4.502011
  N      -4.712670     -6.231434      4.290995
  Mo     -3.538042     -4.696233      3.706280
  N      -1.677294     -5.307772      4.341295
  C      -0.761588     -6.046853      3.477065
  C      -1.505769     -6.441529      2.206694
  H      -0.397525     -6.934825      4.022124
  H       0.121277     -5.440301      3.215607
  H      -1.137205     -7.397720      1.801675
  H      -1.373344     -5.675551      1.439121
  H      -4.843324     -8.314517      4.640728
  H      -3.465833     -7.494216      5.409300
  H      -3.757451     -8.513577      2.584094
  H      -2.289488     -8.284602      3.550593
  H      -2.837931     -5.120341     -0.110120
  H      -4.520552     -4.677164      0.255370
  H      -3.569437     -7.244573      0.589086
  H      -4.851329     -6.560556      1.630608
  C      -2.457486     -3.045552      1.402067
  C      -2.106261     -2.646915      0.086053
  C      -1.504616     -1.421256     -0.118872
  C      -1.269381     -0.534807      0.959096
  C      -1.587464     -0.907599      2.247666
  C      -2.134828     -2.188473      2.496222
  N      -2.499255     -2.658624      3.731339
  C      -1.952315     -2.124242      4.838759
  C      -0.606414     -1.699603      5.075354
  O      -0.187856     -1.079366      6.026095
  Cl      0.661783     -2.376522      3.871373
  C      -5.974867     -5.976749      4.737499
  C      -6.782706     -6.856477      5.490193
  C      -8.065530     -6.477665      5.850042
  C      -8.564989     -5.222405      5.467551
  C      -7.782020     -4.339296      4.735737
  C      -6.468540     -4.691564      4.367151
  N      -5.577175     -3.922987      3.603178
  C      -6.093811     -2.720198      3.206209
  C      -5.693260     -1.960468      2.060139
  O      -5.044565     -2.223411      1.080897
  Cl     -6.560898     -0.300554      2.119719
  C      -1.278289     -5.021663      5.602232
  C       0.019720     -5.233165      6.136983
  C       0.286515     -4.867825      7.439534
  C      -0.717313     -4.277209      8.249046
  C      -1.990564     -4.079863      7.762223
  C      -2.303719     -4.467102      6.436711
  N      -3.517985     -4.313894      5.841234
  C      -4.655072     -4.092272      6.573189
  C      -4.981717     -4.860964      7.715306
  O      -4.450781     -5.821612      8.233890
  Cl     -6.567707     -4.201293      8.477215
  H      -2.348951     -3.277388     -0.767463
  H      -1.249194     -1.112557     -1.133877
  H      -0.859155      0.456849      0.765887
  H      -1.443338     -0.220733      3.081150
  H      -2.561324     -2.106260      5.741217
  H      -6.385716     -7.815445      5.819687
  H      -8.680787     -7.149012      6.449734
  H      -9.572856     -4.926496      5.761223
  H      -8.202049     -3.375055      4.456877
  H      -6.808950     -2.216444      3.853337
  H       0.809933     -5.641847      5.508859
  H       1.290886     -5.001238      7.843025
  H      -0.468896     -3.953119      9.260197
  H      -2.759477     -3.604645      8.370422
  H      -5.389038     -3.389193      6.193943
  N      -7.201013     -4.811402      1.438427
  N      -7.527285     -3.727688      1.686340
  H      -8.361898     -3.213613      1.302282
74
Coordinates from ORCA-job orca E -7353.196329934963
  N      -3.128833     -4.168837      1.749272
  C      -3.588154     -5.063747      0.697354
  C      -3.808924     -6.444935      1.307581
  N      -2.956996     -6.557920      2.519413
  C      -3.238778     -7.822405      3.267783
  C      -4.086770     -7.524460      4.506428
  N      -4.711577     -6.232124      4.291842
  Mo     -3.539500     -4.695387      3.708575
  N      -1.677062     -5.306801      4.341088
  C      -0.760256     -6.043840      3.476684
  C      -1.505003     -6.441037      2.207571
  H      -0.393781     -6.931085      4.021343
  H       0.120820     -5.435177      3.214059
  H      -1.136012     -7.397369      1.803273
  H      -1.374429     -5.676117      1.438676
  H      -4.837034     -8.314583      4.648705
  H      -3.460043     -7.488014      5.412430
  H      -3.757035     -8.513889      2.588836
  H      -2.286843     -8.285539      3.552867
  H      -2.842919     -5.121458     -0.110761
  H      -4.524705     -4.680616      0.260127
  H      -3.560909     -7.248182      0.592727
  H      -4.847919     -6.569094      1.633597
  C      -2.455696     -3.049856      1.401597
  C      -2.103418     -2.652796      0.085553
  C      -1.500759     -1.427553     -0.120538
  C      -1.265663     -0.540122      0.956273
  C      -1.583932     -0.911657      2.245327
  C      -2.131715     -2.192045      2.495496
  N      -2.496615     -2.660014      3.731424
  C      -1.950372     -2.123863      4.838051
  C      -0.604410     -1.698488      5.074742
  O      -0.187593     -1.075863      6.024526
  Cl      0.664834     -2.375462      3.873104
  C      -5.975537     -5.980370      4.734776
  C      -6.781842     -6.861328      5.487448
  C      -8.066213     -6.485708      5.845665
  C      -8.568566     -5.232038      5.461263
  C      -7.786902     -4.348226      4.729048
  C      -6.472585     -4.697069      4.361438
  N      -5.580732     -3.925320      3.601358
  C      -6.099147     -2.724185      3.206425
  C      -5.689313     -1.953246      2.069722
  O      -5.025395     -2.202268      1.097109
  Cl     -6.583613     -0.307159      2.125292
  C      -1.277682     -5.020423      5.601816
  C       0.020736     -5.231871      6.136376
  C       0.288065     -4.866214      7.438787
  C      -0.715529     -4.275146      8.248360
  C      -1.989135     -4.078259      7.761942
  C      -2.302707     -4.466069      6.436602
  N      -3.517217     -4.313893      5.840716
  C      -4.655250     -4.093003      6.571394
  C      -4.981786     -4.858345      7.716113
  O      -4.449065     -5.816304      8.238156
  Cl     -6.569281     -4.199401      8.474410
  H      -2.346074     -3.283409     -0.767918
  H      -1.245133     -1.120183     -1.135942
  H      -0.855306      0.451441      0.762180
  H      -1.439797     -0.223612      3.077805
  H      -2.558723     -2.105237      5.740707
  H      -6.383357     -7.818916      5.819215
  H      -8.680548     -7.157686      6.445719
  H      -9.577218     -4.938705      5.754649
  H      -8.208919     -3.384964      4.449117
  H      -6.818201     -2.225718      3.854068
  H       0.810979     -5.640739      5.508436
  H       1.292717     -4.999861      7.841806
  H      -0.466984     -3.950340      9.259333
  H      -2.757204     -3.602963      8.370982
  H      -5.391047     -3.394126      6.187865
  N      -7.240470     -4.790415      1.425218
  N      -7.536866     -3.701096      1.685270
  H      -8.361689     -3.159326      1.318466
74
Coordinates from ORCA-job orca E -7353.196624223222
  N      -3.128965     -4.169728      1.749726
  C      -3.590702     -5.064403      0.698778
  C      -3.807375     -6.447438      1.308548
  N      -2.955110     -6.557649      2.521228
  C      -3.235570     -7.822109      3.270688
  C      -4.082054     -7.523603      4.510546
  N      -4.711140     -6.233760      4.293556
  Mo     -3.541415     -4.694504      3.710521
  N      -1.676108     -5.305093      4.339947
  C      -0.758352     -6.039702      3.474988
  C      -1.503959     -6.439847      2.207376
  H      -0.388801     -6.925902      4.019157
  H       0.120664     -5.428791      3.210809
  H      -1.134681     -7.396477      1.804027
  H      -1.375134     -5.676271      1.436769
  H      -4.829389     -8.315956      4.656096
  H      -3.453876     -7.482116      5.415185
  H      -3.755165     -8.513764      2.592917
  H      -2.283141     -8.285082      3.554362
  H      -2.848905     -5.120255     -0.112705
  H      -4.529513     -4.681479      0.265610
  H      -3.553468     -7.249814      0.595130
  H      -4.844431     -6.576046      1.638593
  C      -2.452788     -3.052795      1.401803
  C      -2.097529     -2.657359      0.086145
  C      -1.492561     -1.433319     -0.120243
  C      -1.258176     -0.545264      0.955911
  C      -1.578871     -0.915339      2.244806
  C      -2.128437     -2.194674      2.495616
  N      -2.495642     -2.660251      3.731632
  C      -1.950974     -2.122812      4.838144
  C      -0.605290     -1.696129      5.076067
  O      -0.191065     -1.072435      6.026434
  Cl      0.666031     -2.373645      3.878522
  C      -5.976525     -5.984296      4.735470
  C      -6.781613     -6.865682      5.488700
  C      -8.066839     -6.491677      5.846181
  C      -8.571632     -5.239517      5.459981
  C      -7.791301     -4.355541      4.726548
  C      -6.475837     -4.702293      4.359964
  N      -5.583539     -3.928591      3.600361
  C      -6.105425     -2.728471      3.201516
  C      -5.696961     -1.954512      2.066417
  O      -5.024012     -2.196216      1.098899
  Cl     -6.614632     -0.321271      2.113210
  C      -1.276322     -5.019504      5.600563
  C       0.022337     -5.231011      6.134866
  C       0.289884     -4.866595      7.437539
  C      -0.713634     -4.276343      8.247746
  C      -1.987452     -4.079410      7.761658
  C      -2.301094     -4.466275      6.436293
  N      -3.516013     -4.314770      5.840399
  C      -4.654315     -4.094358      6.570683
  C      -4.979739     -4.856147      7.717992
  O      -4.445183     -5.811802      8.242707
  Cl     -6.568600     -4.198848      8.472741
  H      -2.339558     -3.288201     -0.767300
  H      -1.234867     -1.127629     -1.135617
  H      -0.846504      0.445559      0.761802
  H      -1.435146     -0.226272      3.076430
  H      -2.559292     -2.104733      5.740734
  H      -6.382806     -7.822516      5.822437
  H      -8.679969     -7.164159      6.446935
  H      -9.580795     -4.947932      5.753117
  H      -8.215077     -3.393685      4.444942
  H      -6.826069     -2.231433      3.848316
  H       0.812832     -5.639254      5.506836
  H       1.294803     -5.001030      7.839743
  H      -0.465416     -3.952072      9.258905
  H      -2.755344     -3.604998      8.371690
  H      -5.391654     -3.399107      6.183597
  N      -7.280396     -4.764603      1.415293
  N      -7.546508     -3.669804      1.684254
  H      -8.358433     -3.103230      1.326979
74
Coordinates from ORCA-job orca E -7353.196891908120
  N      -3.128321     -4.172193      1.750519
  C      -3.594017     -5.067524      0.702758
  C      -3.806555     -6.450748      1.312741
  N      -2.953633     -6.558582      2.524424
  C      -3.232898     -7.822527      3.275594
  C      -4.077606     -7.522603      4.515719
  N      -4.710510     -6.235677      4.294547
  Mo     -3.541628     -4.694572      3.711600
  N      -1.673989     -5.303559      4.338776
  C      -0.755864     -6.037407      3.473875
  C      -1.503124     -6.440851      2.208169
  H      -0.383921     -6.922233      4.018549
  H       0.121744     -5.425511      3.207431
  H      -1.134094     -7.398096      1.805988
  H      -1.375803     -5.678875      1.435613
  H      -4.821739     -8.317319      4.664987
  H      -3.448540     -7.475370      5.419343
  H      -3.753922     -8.514350      2.599130
  H      -2.280126     -8.285641      3.557835
  H      -2.856641     -5.124079     -0.112326
  H      -4.535791     -4.686300      0.274170
  H      -3.549434     -7.251888      0.599239
  H      -4.842541     -6.584190      1.644792
  C      -2.449937     -3.056889      1.401313
  C      -2.092472     -2.663819      0.085526
  C      -1.486447     -1.440583     -0.122285
  C      -1.253412     -0.550608      0.952588
  C      -1.576166     -0.918316      2.241629
  C      -2.126320     -2.197025      2.494113
  N      -2.495858     -2.659738      3.730435
  C      -1.954033     -2.120364      4.837234
  C      -0.609391     -1.691025      5.077555
  O      -0.198949     -1.064944      6.028095
  Cl      0.665926     -2.367752      3.884767
  C      -5.976104     -5.987438      4.732798
  C      -6.780850     -6.869559      5.485593
  C      -8.066931     -6.497316      5.841213
  C      -8.573143     -5.246305      5.453697
  C      -7.793715     -4.361427      4.720042
  C      -6.477395     -4.706534      4.354895
  N      -5.583615     -3.931818      3.598601
  C      -6.107115     -2.730944      3.202214
  C      -5.696258     -1.949522      2.072858
  O      -5.013786     -2.180360      1.109777
  Cl     -6.636771     -0.327542      2.115947
  C      -1.274000     -5.018230      5.599370
  C       0.024654     -5.229170      6.133931
  C       0.291981     -4.865182      7.436941
  C      -0.711723     -4.275545      8.247139
  C      -1.985658     -4.079103      7.760724
  C      -2.298958     -4.465939      6.435481
  N      -3.514288     -4.316024      5.839324
  C      -4.652990     -4.097113      6.570070
  C      -4.977848     -4.859221      7.717404
  O      -4.441707     -5.814014      8.242338
  Cl     -6.568423     -4.205423      8.470886
  H      -2.333872     -3.296146     -0.766973
  H      -1.227070     -1.137014     -1.137850
  H      -0.841318      0.439823      0.757561
  H      -1.433513     -0.227216      3.071762
  H      -2.563920     -2.103017      5.738842
  H      -6.382083     -7.825736      5.821278
  H      -8.678938     -7.170916      6.441966
  H      -9.582882     -4.955845      5.745886
  H      -8.219413     -3.400556      4.438177
  H      -6.828514     -2.237125      3.850755
  H       0.815675     -5.636723      5.506098
  H       1.297255     -4.999832      7.838566
  H      -0.464205     -3.951031      9.258429
  H      -2.754022     -3.605179      8.370482
  H      -5.391790     -3.404634      6.180848
  N      -7.322432     -4.737713      1.402106
  N      -7.559039     -3.639875      1.683871
  H      -8.359802     -3.048418      1.338728
74
Coordinates from ORCA-job orca E -7353.197139075023
  N      -3.129887     -4.174856      1.748849
  C      -3.595784     -5.070776      0.702073
  C      -3.803043     -6.456768      1.312628
  N      -2.951262     -6.559482      2.525995
  C      -3.228924     -7.822196      3.280329
  C      -4.070176     -7.519831      4.522364
  N      -4.709470     -6.236908      4.297300
  Mo     -3.543218     -4.692623      3.712148
  N      -1.672999     -5.300886      4.338485
  C      -0.753726     -6.033004      3.473424
  C      -1.501268     -6.440235      2.209011
  H      -0.378531     -6.916100      4.018703
  H       0.121862     -5.418885      3.205316
  H      -1.130974     -7.397645      1.808389
  H      -1.375267     -5.679575      1.434866
  H      -4.809020     -8.318061      4.678682
  H      -3.438099     -7.464562      5.423304
  H      -3.752799     -8.514218      2.606341
  H      -2.275802     -8.286110      3.560099
  H      -2.860744     -5.124209     -0.115160
  H      -4.539174     -4.690885      0.276411
  H      -3.541097     -7.256424      0.599392
  H      -4.838235     -6.595593      1.645688
  C      -2.449237     -3.061009      1.398863
  C      -2.090734     -2.670313      0.082563
  C      -1.483086     -1.448278     -0.127238
  C      -1.248789     -0.556987      0.946390
  C      -1.572232     -0.922657      2.235839
  C      -2.124433     -2.200098      2.490069
  N      -2.495230     -2.660396      3.726934
  C      -1.954564     -2.119309      4.833715
  C      -0.610667     -1.688994      5.075293
  O      -0.201277     -1.062073      6.025801
  Cl      0.666885     -2.366157      3.884530
  C      -5.976260     -5.991062      4.733044
  C      -6.780707     -6.874781      5.484725
  C      -8.068325     -6.505483      5.837900
  C      -8.577103     -5.255993      5.449342
  C      -7.798660     -4.369318      4.716834
  C      -6.480097     -4.711138      4.353955
  N      -5.585963     -3.933501      3.599924
  C      -6.110209     -2.731326      3.206874
  C      -5.696239     -1.942173      2.084185
  O      -5.002018     -2.159291      1.126882
  Cl     -6.661723     -0.333101      2.122406
  C      -1.273514     -5.016424      5.599107
  C       0.024534     -5.228056      6.134655
  C       0.290787     -4.866116      7.438433
  C      -0.713200     -4.277170      8.248674
  C      -1.986579     -4.079582      7.761246
  C      -2.298916     -4.464841      6.435563
  N      -3.514021     -4.314699      5.838740
  C      -4.653443     -4.096866      6.569614
  C      -4.978339     -4.860241      7.715956
  O      -4.441255     -5.814399      8.241338
  Cl     -6.571816     -4.210365      8.466865
  H      -2.333114     -3.304099     -0.768607
  H      -1.223146     -1.146753     -1.143263
  H      -0.835412      0.432745      0.750278
  H      -1.428559     -0.230292      3.064756
  H      -2.565886     -2.102070      5.734572
  H      -6.381270     -7.830102      5.821980
  H      -8.678571     -7.181426      6.437798
  H      -9.588122     -4.967330      5.738950
  H      -8.227217     -3.410090      4.434130
  H      -6.832443     -2.241024      3.856691
  H       0.816225     -5.634698      5.507042
  H       1.295784     -5.002104      7.840093
  H      -0.466705     -3.953815      9.260524
  H      -2.755831     -3.606035      8.370194
  H      -5.393057     -3.406298      6.178656
  N      -7.355086     -4.708606      1.392878
  N      -7.564179     -3.607647      1.685677
  H      -8.349879     -2.990364      1.350206
74
Coordinates from ORCA-job orca E -7353.197367604300
  N      -3.130302     -4.177834      1.748863
  C      -3.600110     -5.075065      0.705362
  C      -3.801633     -6.461285      1.317256
  N      -2.948962     -6.560412      2.529036
  C      -3.224640     -7.821970      3.286270
  C      -4.063492     -7.517106      4.528902
  N      -4.707747     -6.237880      4.298715
  Mo     -3.541841     -4.691741      3.713378
  N      -1.670510     -5.298232      4.338665
  C      -0.750669     -6.029063      3.472920
  C      -1.499464     -6.439997      2.210289
  H      -0.372259     -6.910167      4.019094
  H       0.122888     -5.413035      3.202721
  H      -1.128346     -7.397657      1.811078
  H      -1.375378     -5.680670      1.434447
  H      -4.797841     -8.318202      4.691962
  H      -3.429261     -7.454381      5.427894
  H      -3.750174     -8.515087      2.614544
  H      -2.270972     -8.285791      3.564542
  H      -2.869582     -5.129717     -0.116001
  H      -4.546960     -4.697733      0.284135
  H      -3.539694     -7.259350      0.602142
  H      -4.836744     -6.604589      1.650697
  C      -2.447862     -3.065503      1.397214
  C      -2.089368     -2.677176      0.079965
  C      -1.480300     -1.456387     -0.132061
  C      -1.244089     -0.563667      0.940205
  C      -1.567664     -0.926905      2.230276
  C      -2.121796     -2.203057      2.486596
  N      -2.494485     -2.660455      3.724022
  C      -1.955901     -2.117539      4.831046
  C      -0.613197     -1.685769      5.074725
  O      -0.205541     -1.056493      6.024207
  Cl      0.667583     -2.364701      3.887643
  C      -5.975207     -5.993873      4.730868
  C      -6.779979     -6.879204      5.480568
  C      -8.069023     -6.512525      5.830556
  C      -8.578865     -5.263939      5.441166
  C      -7.800536     -4.375285      4.710664
  C      -6.480772     -4.714961      4.350480
  N      -5.586110     -3.935733      3.599071
  C      -6.111697     -2.731333      3.211500
  C      -5.696503     -1.936388      2.093738
  O      -4.992286     -2.142249      1.141188
  Cl     -6.684714     -0.338622      2.126500
  C      -1.271261     -5.014203      5.599440
  C       0.026424     -5.225183      6.135702
  C       0.291163     -4.864902      7.440341
  C      -0.713874     -4.277820      8.250546
  C      -1.986953     -4.080110      7.762102
  C      -2.297722     -4.463861      6.435790
  N      -3.512565     -4.314877      5.838025
  C      -4.652938     -4.098960      6.569359
  C      -4.977699     -4.866538      7.712239
  O      -4.439857     -5.821147      8.235924
  Cl     -6.573399     -4.221171      8.463386
  H      -2.333289     -3.312320     -0.769731
  H      -1.220357     -1.156700     -1.148646
  H      -0.829403      0.425228      0.742469
  H      -1.422776     -0.233263      3.057894
  H      -2.569667     -2.099553      5.729937
  H      -6.379793     -7.833937      5.818674
  H      -8.678424     -7.190632      6.428880
  H      -9.591166     -4.976312      5.727369
  H      -8.231290     -3.417292      4.427270
  H      -6.834206     -2.243358      3.863535
  H       0.819144     -5.630172      5.508299
  H       1.296021     -5.000955      7.842373
  H      -0.468639     -3.955801      9.263111
  H      -2.757804     -3.607869      8.370149
  H      -5.393084     -3.408788      6.178818
  N      -7.392753     -4.675517      1.383142
  N      -7.575530     -3.574168      1.688918
  H      -8.346833     -2.933132      1.363851
74
Coordinates from ORCA-job orca E -7353.197576579157
  N      -3.132872     -4.181871      1.746017
  C      -3.603381     -5.080954      0.704607
  C      -3.798986     -6.468239      1.318322
  N      -2.946709     -6.562106      2.530093
  C      -3.220115     -7.822411      3.290694
  C      -4.056141     -7.514860      4.534570
  N      -4.706733     -6.239982      4.299547
  Mo     -3.543197     -4.691209      3.711447
  N      -1.670017     -5.295988      4.338490
  C      -0.748895     -6.025004      3.472524
  C      -1.497404     -6.439689      2.210956
  H      -0.367006     -6.903976      4.019722
  H       0.122388     -5.406296      3.200929
  H      -1.124888     -7.397556      1.813594
  H      -1.374983     -5.681629      1.433599
  H      -4.785269     -8.318904      4.706239
  H      -3.418382     -7.443623      5.430391
  H      -3.747289     -8.516927      2.621797
  H      -2.265833     -8.285697      3.567610
  H      -2.875306     -5.134308     -0.118874
  H      -4.552135     -4.706419      0.285720
  H      -3.535888     -7.265322      0.602577
  H      -4.834001     -6.615745      1.650897
  C      -2.448013     -3.071406      1.393127
  C      -2.088348     -2.686118      0.075179
  C      -1.476343     -1.467268     -0.138527
  C      -1.238127     -0.573408      0.932457
  C      -1.563426     -0.933513      2.222915
  C      -2.120880     -2.207722      2.480886
  N      -2.496943     -2.662269      3.718602
  C      -1.961225     -2.116830      4.826170
  C      -0.619986     -1.683682      5.072826
  O      -0.214262     -1.052072      6.021585
  Cl      0.665213     -2.366644      3.890804
  C      -5.975747     -5.998674      4.729097
  C      -6.781347     -6.886142      5.475880
  C      -8.071510     -6.521606      5.823532
  C      -8.581627     -5.272563      5.435453
  C      -7.802543     -4.381881      4.708386
  C      -6.481791     -4.719634      4.349347
  N      -5.585860     -3.938212      3.601298
  C      -6.107614     -2.729258      3.223093
  C      -5.691111     -1.926248      2.112503
  O      -4.980807     -2.116876      1.162267
  Cl     -6.698302     -0.336832      2.149349
  C      -1.271578     -5.010910      5.599178
  C       0.026226     -5.219535      6.136570
  C       0.289470     -4.858120      7.441407
  C      -0.716916     -4.272171      8.250840
  C      -1.990051     -4.076599      7.761373
  C      -2.299403     -4.461562      6.434938
  N      -3.514286     -4.315358      5.836824
  C      -4.654818     -4.102134      6.569596
  C      -4.977387     -4.874913      7.708867
  O      -4.437603     -5.829937      8.229579
  Cl     -6.576362     -4.237249      8.461346
  H      -2.333452     -3.322324     -0.773356
  H      -1.215145     -1.169817     -1.155401
  H      -0.820585      0.413880      0.733313
  H      -1.417272     -0.238828      3.049417
  H      -2.578159     -2.098021      5.723003
  H      -6.380172     -7.840915      5.812838
  H      -8.681084     -7.201917      6.419212
  H      -9.594929     -4.985579      5.718852
  H      -8.234683     -3.424104      4.425937
  H      -6.827271     -2.244604      3.880300
  H       0.820245     -5.622983      5.509856
  H       1.294548     -4.991975      7.844276
  H      -0.472355     -3.949101      9.263401
  H      -2.762563     -3.604947      8.367740
  H      -5.396750     -3.412603      6.181427
  N      -7.422738     -4.641166      1.376035
  N      -7.579349     -3.538960      1.694081
  H      -8.332469     -2.872013      1.377071
74
Coordinates from ORCA-job orca E -7353.197760467462
  N      -3.135533     -4.185080      1.744545
  C      -3.608395     -5.086405      0.705570
  C      -3.796771     -6.474186      1.321345
  N      -2.943386     -6.562662      2.532424
  C      -3.214196     -7.821483      3.296350
  C      -4.047578     -7.510297      4.541105
  N      -4.703660     -6.239087      4.300509
  Mo     -3.542092     -4.689274      3.711726
  N      -1.668470     -5.292492      4.340510
  C      -0.746182     -6.018835      3.473423
  C      -1.494420     -6.437063      2.212764
  H      -0.360431     -6.895993      4.020819
  H       0.122395     -5.396841      3.200536
  H      -1.119708     -7.394726      1.817028
  H      -1.374382     -5.679954      1.434120
  H      -4.772122     -8.316484      4.721635
  H      -3.406342     -7.430302      5.433740
  H      -3.742873     -8.517844      2.630556
  H      -2.259287     -8.283965      3.572590
  H      -2.883815     -5.138023     -0.121249
  H      -4.560387     -4.715202      0.290427
  H      -3.532625     -7.270575      0.605029
  H      -4.831322     -6.626093      1.652728
  C      -2.449116     -3.076521      1.389270
  C      -2.091030     -2.693691      0.070123
  C      -1.476874     -1.476244     -0.146116
  C      -1.234722     -0.581565      0.923294
  C      -1.558573     -0.939283      2.214837
  C      -2.118614     -2.211906      2.475449
  N      -2.495104     -2.663871      3.714474
  C      -1.959251     -2.116666      4.821589
  C      -0.618552     -1.683234      5.068305
  O      -0.212031     -1.050110      6.015460
  Cl      0.667904     -2.368680      3.886340
  C      -5.974163     -6.001438      4.727345
  C      -6.779552     -6.891160      5.471220
  C      -8.071572     -6.530127      5.815346
  C      -8.583482     -5.282255      5.426398
  C      -7.804485     -4.389325      4.702358
  C      -6.482290     -4.723686      4.346920
  N      -5.587141     -3.939426      3.601913
  C      -6.109179     -2.727409      3.231683
  C      -5.691188     -1.919319      2.125789
  O      -4.970428     -2.098115      1.181031
  Cl     -6.719243     -0.340733      2.157021
  C      -1.271610     -5.007911      5.601230
  C       0.025565     -5.216854      6.139667
  C       0.286345     -4.857933      7.445244
  C      -0.721437     -4.273826      8.254601
  C      -1.993635     -4.077397      7.764130
  C      -2.300878     -4.459962      6.436410
  N      -3.514697     -4.313810      5.837448
  C      -4.656425     -4.103137      6.569626
  C      -4.979451     -4.881759      7.704493
  O      -4.439495     -5.837815      8.222840
  Cl     -6.581376     -4.249307      8.457365
  H      -2.338698     -3.330526     -0.777257
  H      -1.216808     -1.180284     -1.163769
  H      -0.815204      0.404622      0.721907
  H      -1.409796     -0.243966      3.040328
  H      -2.577394     -2.096391      5.717848
  H      -6.375873     -7.844879      5.807739
  H      -8.681501     -7.212214      6.408435
  H      -9.598498     -4.997660      5.705890
  H      -8.238057     -3.432911      4.418157
  H      -6.829782     -2.245848      3.890433
  H       0.820425     -5.618771      5.513052
  H       1.290323     -4.991928      7.849766
  H      -0.477885     -3.953255      9.268022
  H      -2.767470     -3.607370      8.370044
  H      -5.398765     -3.413033      6.183389
  N      -7.451986     -4.604155      1.371803
  N      -7.585800     -3.503964      1.703276
  H      -8.320405     -2.812164      1.395818
74
Coordinates from ORCA-job orca E -7353.197927969441
  N      -3.138246     -4.189613      1.741730
  C      -3.612571     -5.093292      0.705267
  C      -3.795155     -6.480453      1.323447
  N      -2.940704     -6.565034      2.533392
  C      -3.208958     -7.823131      3.299443
  C      -4.042438     -7.510109      4.543659
  N      -4.702693     -6.241831      4.298333
  Mo     -3.542615     -4.690827      3.709122
  N      -1.668833     -5.291597      4.341092
  C      -0.744667     -6.015172      3.473709
  C      -1.491870     -6.436807      2.213467
  H      -0.355328     -6.890639      4.021270
  H       0.121251     -5.389727      3.200147
  H      -1.115421     -7.394538      1.819615
  H      -1.373886     -5.680923      1.433308
  H      -4.763876     -8.317834      4.729736
  H      -3.399621     -7.423481      5.434577
  H      -3.736524     -8.522018      2.635305
  H      -2.253175     -8.283020      3.577033
  H      -2.890640     -5.144147     -0.124068
  H      -4.567332     -4.725775      0.292585
  H      -3.530983     -7.277367      0.607567
  H      -4.829531     -6.634966      1.654225
  C      -2.449468     -3.083285      1.384420
  C      -2.090677     -2.702904      0.064938
  C      -1.473511     -1.486994     -0.152203
  C      -1.229835     -0.591805      0.916189
  C      -1.554992     -0.947070      2.208163
  C      -2.117521     -2.218162      2.470039
  N      -2.496894     -2.667926      3.709312
  C      -1.963924     -2.117569      4.816410
  C      -0.624422     -1.682483      5.065497
  O      -0.220141     -1.045990      6.011345
  Cl      0.666096     -2.372854      3.889173
  C      -5.975039     -6.007653      4.723165
  C      -6.781215     -6.899677      5.463401
  C      -8.073759     -6.539897      5.806543
  C      -8.585117     -5.290388      5.420650
  C      -7.804988     -4.395730      4.700287
  C      -6.482618     -4.729109      4.344501
  N      -5.585949     -3.942788      3.603334
  C      -6.102365     -2.724444      3.245306
  C      -5.683151     -1.909175      2.145961
  O      -4.959641     -2.074937      1.201712
  Cl     -6.726138     -0.336909      2.183477
  C      -1.272985     -5.004132      5.601494
  C       0.025115     -5.208391      6.140671
  C       0.284397     -4.845909      7.445600
  C      -0.725690     -4.263638      8.253895
  C      -1.998567     -4.072429      7.763178
  C      -2.304172     -4.457830      6.435554
  N      -3.518090     -4.316352      5.836403
  C      -4.659916     -4.108890      6.569278
  C      -4.979201     -4.889424      7.702757
  O      -4.435866     -5.844111      8.219821
  Cl     -6.584218     -4.264155      8.456460
  H      -2.339149     -3.339648     -0.782295
  H      -1.212313     -1.192554     -1.170002
  H      -0.807870      0.393042      0.713552
  H      -1.405488     -0.251035      3.032897
  H      -2.584183     -2.095161      5.710856
  H      -6.376354     -7.854039      5.796813
  H      -8.685762     -7.222957      6.396361
  H      -9.600622     -5.006882      5.699550
  H      -8.238133     -3.438213      4.418196
  H      -6.818571     -2.245836      3.911064
  H       0.821410     -5.608593      5.514853
  H       1.288732     -4.975009      7.851438
  H      -0.482486     -3.940511      9.266757
  H      -2.773941     -3.604048      8.368529
  H      -5.405094     -3.420544      6.185458
  N      -7.480478     -4.566815      1.368243
  N      -7.589525     -3.467439      1.711513
  H      -8.302434     -2.750489      1.411739
74
Coordinates from ORCA-job orca E -7353.198079654939
  N      -3.141163     -4.193475      1.739486
  C      -3.616089     -5.099296      0.704842
  C      -3.792651     -6.486512      1.324915
  N      -2.937279     -6.566697      2.534736
  C      -3.203330     -7.823898      3.302799
  C      -4.037264     -7.509004      4.546342
  N      -4.701049     -6.242898      4.296955
  Mo     -3.542748     -4.691355      3.707762
  N      -1.669083     -5.290301      4.342929
  C      -0.742855     -6.010314      3.474990
  C      -1.488797     -6.435094      2.214829
  H      -0.349789     -6.884570      4.021803
  H       0.120279     -5.381246      3.200926
  H      -1.109809     -7.392481      1.822517
  H      -1.372840     -5.680063      1.433518
  H      -4.756073     -8.318068      4.736241
  H      -3.393764     -7.416405      5.436077
  H      -3.729973     -8.524703      2.640032
  H      -2.246995     -8.281739      3.581733
  H      -2.896425     -5.147717     -0.126398
  H      -4.573369     -4.735351      0.294739
  H      -3.525750     -7.284105      0.610729
  H      -4.826202     -6.645025      1.655228
  C      -2.450635     -3.088838      1.380031
  C      -2.092427     -2.710145      0.060269
  C      -1.472831     -1.495393     -0.158133
  C      -1.226875     -0.600159      0.909265
  C      -1.551713     -0.953940      2.201851
  C      -2.116081     -2.223799      2.465224
  N      -2.495560     -2.672059      3.705296
  C      -1.962361     -2.119951      4.811797
  C      -0.622848     -1.685549      5.060859
  O      -0.218034     -1.048049      6.005802
  Cl      0.667916     -2.378415      3.885056
  C      -5.974754     -6.012190      4.719684
  C      -6.781060     -6.906468      5.456794
  C      -8.074683     -6.548980      5.797832
  C      -8.587066     -5.299357      5.413112
  C      -7.806808     -4.402618      4.695895
  C      -6.483400     -4.733667      4.341778
  N      -5.586700     -3.944781      3.604983
  C      -6.101221     -2.722238      3.256108
  C      -5.681602     -1.900804      2.161809
  O      -4.951587     -2.055143      1.221370
  Cl     -6.746407     -0.340289      2.195811
  C      -1.274696     -5.001150      5.602950
  C       0.023975     -5.202641      6.142577
  C       0.282225     -4.838359      7.446877
  C      -0.729368     -4.257462      8.254742
  C      -2.002508     -4.069648      7.764157
  C      -2.307254     -4.456449      6.436477
  N      -3.520964     -4.316828      5.837267
  C      -4.663370     -4.112001      6.569397
  C      -4.981837     -4.893428      7.702880
  O      -4.437281     -5.847230      8.220284
  Cl     -6.589226     -4.271916      8.455293
  H      -2.342214     -3.346660     -0.786759
  H      -1.211572     -1.202115     -1.176251
  H      -0.803101      0.383662      0.705492
  H      -1.400625     -0.257569      3.025959
  H      -2.582530     -2.095813      5.706510
  H      -6.374960     -7.860760      5.788615
  H      -8.688359     -7.233059      6.384737
  H      -9.603590     -5.018657      5.690933
  H      -8.239943     -3.445027      4.414246
  H      -6.816282     -2.247372      3.925491
  H       0.820937     -5.601456      5.516761
  H       1.286579     -4.964199      7.853623
  H      -0.486214     -3.932884      9.267171
  H      -2.778419     -3.602459      8.369555
  H      -5.410361     -3.425635      6.185640
  N      -7.505630     -4.529368      1.366694
  N      -7.591905     -3.432687      1.722786
  H      -8.282290     -2.689717      1.431885
74
Coordinates from ORCA-job orca E -7353.198219382749
  N      -3.143184     -4.198041      1.737117
  C      -3.619025     -5.105928      0.704667
  C      -3.789675     -6.492506      1.327019
  N      -2.932995     -6.569146      2.536072
  C      -3.196434     -7.825737      3.305777
  C      -4.034354     -7.510748      4.546701
  N      -4.700246     -6.245934      4.293840
  Mo     -3.542438     -4.694028      3.705909
  N      -1.669311     -5.289880      4.344046
  C      -0.740372     -6.006048      3.476037
  C      -1.485007     -6.434390      2.215954
  H      -0.343487     -6.878989      4.022202
  H       0.119901     -5.373298      3.201503
  H      -1.103345     -7.391435      1.825373
  H      -1.370966     -5.680512      1.433211
  H      -4.751890     -8.321073      4.735754
  H      -3.393362     -7.414575      5.437804
  H      -3.719182     -8.529594      2.643065
  H      -2.239130     -8.279614      3.588034
  H      -2.901979     -5.153168     -0.128918
  H      -4.579184     -4.745905      0.297329
  H      -3.520180     -7.291114      0.614829
  H      -4.822379     -6.655058      1.658489
  C      -2.451343     -3.094760      1.375424
  C      -2.093854     -2.717501      0.055467
  C      -1.473260     -1.503158     -0.164277
  C      -1.226427     -0.607415      0.902189
  C      -1.550615     -0.960170      2.195413
  C      -2.115186     -2.229513      2.460257
  N      -2.494400     -2.676576      3.700872
  C      -1.962052     -2.122278      4.806729
  C      -0.622854     -1.686884      5.056113
  O      -0.219219     -1.048850      6.001345
  Cl      0.669130     -2.379069      3.881314
  C      -5.975178     -6.017828      4.714932
  C      -6.781654     -6.913690      5.449824
  C      -8.075713     -6.557302      5.790031
  C      -8.588466     -5.307097      5.407192
  C      -7.808096     -4.408722      4.692463
  C      -6.484233     -4.738849      4.338112
  N      -5.586717     -3.947719      3.605203
  C      -6.098054     -2.719843      3.267269
  C      -5.675123     -1.890945      2.179993
  O      -4.939356     -2.034396      1.242373
  Cl     -6.755018     -0.337672      2.215737
  C      -1.276542     -4.998578      5.603862
  C       0.022765     -5.196026      6.143972
  C       0.279766     -4.829745      7.447632
  C      -0.733861     -4.251217      8.255016
  C      -2.007418     -4.067924      7.764421
  C      -2.310871     -4.456230      6.436836
  N      -3.524441     -4.318740      5.837247
  C      -4.667477     -4.116122      6.568118
  C      -4.984399     -4.893914      7.704601
  O      -4.436960     -5.844123      8.225763
  Cl     -6.594814     -4.275400      8.452653
  H      -2.344266     -3.354199     -0.791340
  H      -1.212193     -1.210970     -1.182782
  H      -0.802382      0.376127      0.697418
  H      -1.398995     -0.262946      3.018721
  H      -2.582085     -2.097031      5.701488
  H      -6.375630     -7.868400      5.780411
  H      -8.690829     -7.241912      6.374753
  H      -9.605454     -5.028669      5.685547
  H      -8.240771     -3.450575      4.412334
  H      -6.809897     -2.248605      3.942830
  H       0.820708     -5.593050      5.518271
  H       1.284208     -4.951945      7.854887
  H      -0.491572     -3.924963      9.267021
  H      -2.784319     -3.602799      8.370218
  H      -5.416826     -3.433687      6.182024
  N      -7.531977     -4.492861      1.365605
  N      -7.596061     -3.399323      1.733081
  H      -8.262031     -2.631250      1.449820
74
Coordinates from ORCA-job orca E -7353.198347414255
  N      -3.145114     -4.202482      1.735195
  C      -3.620393     -5.112536      0.704611
  C      -3.786289     -6.498549      1.328934
  N      -2.928645     -6.571874      2.537606
  C      -3.189602     -7.827814      3.308746
  C      -4.033756     -7.514032      4.545656
  N      -4.699697     -6.249416      4.290276
  Mo     -3.541926     -4.697278      3.704455
  N      -1.669780     -5.290077      4.345312
  C      -0.737750     -6.002247      3.477364
  C      -1.481169     -6.434133      2.217386
  H      -0.337074     -6.873785      4.022974
  H       0.119661     -5.365841      3.202515
  H      -1.096754     -7.390709      1.828282
  H      -1.368730     -5.681185      1.433479
  H      -4.751430     -8.325277      4.730011
  H      -3.397764     -7.417089      5.440207
  H      -3.706872     -8.534953      2.645165
  H      -2.231478     -8.277284      3.595303
  H      -2.904759     -5.158884     -0.130202
  H      -4.582639     -4.756528      0.298465
  H      -3.513441     -7.298057      0.618971
  H      -4.818181     -6.665223      1.661439
  C      -2.452502     -3.099939      1.371603
  C      -2.096395     -2.723616      0.051338
  C      -1.475480     -1.509474     -0.169924
  C      -1.227370     -0.613444      0.895751
  C      -1.550123     -0.965724      2.189630
  C      -2.114464     -2.234716      2.455836
  N      -2.492322     -2.681248      3.696922
  C      -1.960002     -2.125775      4.802373
  C      -0.620683     -1.691213      5.052177
  O      -0.217473     -1.053728      5.998034
  Cl      0.671222     -2.381493      3.877236
  C      -5.974926     -6.022886      4.709629
  C      -6.781323     -6.920540      5.442595
  C      -8.075913     -6.565714      5.782115
  C      -8.589343     -5.315086      5.401239
  C      -7.809145     -4.414540      4.689216
  C      -6.484706     -4.743385      4.334448
  N      -5.586959     -3.950034      3.605664
  C      -6.096952     -2.717835      3.276621
  C      -5.671004     -1.881214      2.196816
  O      -4.931494     -2.014531      1.261701
  Cl     -6.764457     -0.335372      2.234045
  C      -1.278449     -4.996708      5.605035
  C       0.021592     -5.189660      6.145381
  C       0.278085     -4.820655      7.448247
  C      -0.737129     -4.244023      8.255097
  C      -2.011353     -4.065633      7.764574
  C      -2.314266     -4.456470      6.437624
  N      -3.527916     -4.320427      5.837535
  C      -4.671543     -4.119079      6.566971
  C      -4.988231     -4.892009      7.707688
  O      -4.439596     -5.838966      8.233677
  Cl     -6.600580     -4.273712      8.450356
  H      -2.347694     -3.360609     -0.795009
  H      -1.215257     -1.218271     -1.188929
  H      -0.803441      0.369969      0.690241
  H      -1.397311     -0.267917      3.012183
  H      -2.579548     -2.099573      5.697310
  H      -6.375969     -7.875856      5.772457
  H      -8.691551     -7.251641      6.364874
  H      -9.606836     -5.039057      5.680104
  H      -8.241963     -3.455899      4.411095
  H      -6.806107     -2.249562      3.957398
  H       0.820418     -5.584870      5.519657
  H       1.283178     -4.938954      7.855156
  H      -0.495654     -3.914943      9.266388
  H      -2.788833     -3.601629      8.370363
  H      -5.422670     -3.441001      6.176839
  N      -7.557798     -4.457213      1.363492
  N      -7.598896     -3.367017      1.743304
  H      -8.239823     -2.573897      1.469889
74
Coordinates from ORCA-job orca E -7353.198459167472
  N      -3.146951     -4.207275      1.732925
  C      -3.621836     -5.119396      0.704329
  C      -3.782336     -6.505194      1.331149
  N      -2.923667     -6.574215      2.539079
  C      -3.180999     -7.829508      3.312346
  C      -4.033701     -7.518393      4.544128
  N      -4.699788     -6.254070      4.286766
  Mo     -3.541699     -4.701162      3.702693
  N      -1.669888     -5.290025      4.345847
  C      -0.734534     -5.997699      3.477818
  C      -1.476887     -6.433480      2.218313
  H      -0.329384     -6.867249      4.023254
  H       0.119611     -5.357213      3.202435
  H      -1.089805     -7.389627      1.830735
  H      -1.366334     -5.681580      1.433069
  H      -4.751563     -8.330912      4.721696
  H      -3.404389     -7.422054      5.443378
  H      -3.690327     -8.541495      2.647781
  H      -2.221523     -8.272515      3.604324
  H      -2.908040     -5.165105     -0.131954
  H      -4.585918     -4.767190      0.299560
  H      -3.506101     -7.305253      0.623203
  H      -4.813144     -6.676385      1.666073
  C      -2.453647     -3.105519      1.367724
  C      -2.099159     -2.730376      0.046819
  C      -1.478261     -1.516537     -0.176312
  C      -1.228471     -0.619958      0.888462
  C      -1.549554     -0.971386      2.183081
  C      -2.113917     -2.239834      2.450926
  N      -2.491334     -2.685086      3.692395
  C      -1.960006     -2.128273      4.797712
  C      -0.621096     -1.693100      5.048667
  O      -0.219535     -1.057078      5.996420
  Cl      0.672211     -2.379606      3.874320
  C      -5.976123     -6.028348      4.704706
  C      -6.783053     -6.926842      5.436236
  C      -8.078060     -6.572492      5.774904
  C      -8.591242     -5.321397      5.395353
  C      -7.810507     -4.419405      4.685860
  C      -6.485818     -4.748306      4.330937
  N      -5.586532     -3.952608      3.605977
  C      -6.094448     -2.716021      3.286880
  C      -5.664021     -1.870744      2.215945
  O      -4.918370     -1.994195      1.283965
  Cl     -6.769761     -0.330723      2.255015
  C      -1.279957     -4.995048      5.605669
  C       0.020655     -5.183304      6.146253
  C       0.276388     -4.812321      7.448712
  C      -0.740405     -4.238154      8.255160
  C      -2.015208     -4.064345      7.764423
  C      -2.317318     -4.457243      6.438032
  N      -3.531071     -4.322548      5.837267
  C      -4.675283     -4.122772      6.565542
  C      -4.991001     -4.890607      7.710635
  O      -4.439650     -5.833158      8.242087
  Cl     -6.606241     -4.274269      8.447231
  H      -2.351696     -3.368088     -0.798643
  H      -1.219347     -1.226493     -1.195971
  H      -0.804759      0.363290      0.682010
  H      -1.395363     -0.272750      3.004678
  H      -2.579906     -2.102301      5.692434
  H      -6.379274     -7.882655      5.766412
  H      -8.693771     -7.259478      6.356289
  H      -9.609040     -5.046332      5.674081
  H      -8.242895     -3.460319      4.409320
  H      -6.800918     -2.251229      3.972620
  H       0.820686     -5.576201      5.520608
  H       1.282159     -4.927197      7.854876
  H      -0.500305     -3.906783      9.265994
  H      -2.793624     -3.601637      8.369929
  H      -5.428709     -3.449884      6.170969
  N      -7.583406     -4.421606      1.362785
  N      -7.603329     -3.335469      1.753289
  H      -8.218040     -2.518310      1.488585
74
Coordinates from ORCA-job orca E -7353.198551642012
  N      -3.148817     -4.211625      1.731098
  C      -3.622717     -5.126963      0.704601
  C      -3.778646     -6.512090      1.333784
  N      -2.918977     -6.576405      2.541223
  C      -3.172489     -7.830861      3.316666
  C      -4.034438     -7.522212      4.542498
  N      -4.699159     -6.257704      4.282947
  Mo     -3.540871     -4.704240      3.701678
  N      -1.669821     -5.289709      4.346851
  C      -0.731247     -5.993428      3.478712
  C      -1.472633     -6.433098      2.219801
  H      -0.321853     -6.860718      4.024515
  H       0.119699     -5.348963      3.202901
  H      -1.083429     -7.388958      1.833634
  H      -1.363838     -5.682140      1.433411
  H      -4.753314     -8.335452      4.712795
  H      -3.412418     -7.427627      5.447112
  H      -3.673217     -8.548113      2.650975
  H      -2.211742     -8.267164      3.614709
  H      -2.909755     -5.172610     -0.132498
  H      -4.588401     -4.778452      0.299870
  H      -3.499517     -7.312348      0.627126
  H      -4.808502     -6.686856      1.669704
  C      -2.455376     -3.110456      1.364243
  C      -2.103166     -2.736493      0.042306
  C      -1.482269     -1.523084     -0.182980
  C      -1.229827     -0.625928      0.880751
  C      -1.548646     -0.976257      2.176261
  C      -2.113362     -2.244059      2.446084
  N      -2.490098     -2.687972      3.688179
  C      -1.959584     -2.130111      4.793504
  C      -0.621118     -1.694875      5.045768
  O      -0.220666     -1.059821      5.994714
  Cl      0.673455     -2.377973      3.871562
  C      -5.974996     -6.032156      4.699458
  C      -6.781097     -6.932070      5.430115
  C      -8.076408     -6.579373      5.769201
  C      -8.590440     -5.328269      5.391208
  C      -7.810610     -4.424320      4.683329
  C      -6.485522     -4.751934      4.327323
  N      -5.586530     -3.954125      3.605119
  C      -6.093659     -2.714464      3.294104
  C      -5.659797     -1.860520      2.231980
  O      -4.911688     -1.973733      1.301604
  Cl     -6.775572     -0.325830      2.276170
  C      -1.281332     -4.993990      5.607053
  C       0.019292     -5.179037      6.148329
  C       0.273652     -4.807177      7.450870
  C      -0.744640     -4.234855      8.256518
  C      -2.019516     -4.063775      7.764808
  C      -2.320246     -4.457964      6.438644
  N      -3.533628     -4.324043      5.836435
  C      -4.678499     -4.124846      6.563679
  C      -4.993933     -4.888914      7.711535
  O      -4.441619     -5.828454      8.247242
  Cl     -6.611327     -4.273501      8.443041
  H      -2.357538     -3.374999     -0.802022
  H      -1.225279     -1.234118     -1.203427
  H      -0.805963      0.357006      0.673014
  H      -1.392271     -0.276959      2.996880
  H      -2.580360     -2.104182      5.687521
  H      -6.377313     -7.888072      5.760049
  H      -8.690651     -7.268245      6.349880
  H      -9.608575     -5.054172      5.669870
  H      -8.244186     -3.465232      4.408530
  H      -6.796709     -2.251996      3.985468
  H       0.820702     -5.570119      5.523297
  H       1.279708     -4.920061      7.856781
  H      -0.506377     -3.902202      9.267314
  H      -2.799074     -3.601917      8.369562
  H      -5.433167     -3.455604      6.165535
  N      -7.611060     -4.385106      1.357722
  N      -7.608633     -3.303709      1.760294
  H      -8.198916     -2.464240      1.507676
74
Coordinates from ORCA-job orca E -7353.198627264454
  N      -3.151830     -4.216257      1.729842
  C      -3.625527     -5.134439      0.705871
  C      -3.776019     -6.519386      1.337866
  N      -2.914761     -6.577911      2.544064
  C      -3.162849     -7.831335      3.322766
  C      -4.035537     -7.526078      4.542055
  N      -4.699340     -6.261537      4.280978
  Mo     -3.541273     -4.707044      3.701232
  N      -1.669311     -5.288551      4.347402
  C      -0.727991     -5.987373      3.478124
  C      -1.469204     -6.431660      2.220723
  H      -0.312600     -6.851659      4.024044
  H       0.118623     -5.337871      3.200891
  H      -1.078132     -7.387381      1.836127
  H      -1.363191     -5.681997      1.432696
  H      -4.755384     -8.340124      4.704247
  H      -3.421362     -7.434245      5.452339
  H      -3.652618     -8.555645      2.656531
  H      -2.200319     -8.258382      3.628162
  H      -2.914194     -5.179544     -0.132477
  H      -4.592700     -4.789362      0.302078
  H      -3.494855     -7.319556      0.632038
  H      -4.804624     -6.697263      1.676436
  C      -2.457445     -3.116446      1.361258
  C      -2.107126     -2.744480      0.038032
  C      -1.484980     -1.532337     -0.189789
  C      -1.228912     -0.634489      0.872558
  C      -1.546044     -0.982691      2.169018
  C      -2.112642     -2.249066      2.441377
  N      -2.490344     -2.689983      3.684281
  C      -1.961265     -2.130671      4.789652
  C      -0.623612     -1.694589      5.044031
  O      -0.225126     -1.059270      5.993624
  Cl      0.673753     -2.376224      3.872354
  C      -5.976825     -6.036384      4.694871
  C      -6.784522     -6.937337      5.422906
  C      -8.081174     -6.585876      5.759062
  C      -8.594648     -5.334622      5.381108
  C      -7.812976     -4.428933      4.677185
  C      -6.487055     -4.755991      4.323721
  N      -5.585683     -3.955726      3.606195
  C      -6.091618     -2.713304      3.303261
  C      -5.651917     -1.850632      2.251408
  O      -4.898643     -1.953931      1.324023
  Cl     -6.774350     -0.317755      2.301778
  C      -1.281180     -4.991424      5.607485
  C       0.020068     -5.172356      6.148551
  C       0.273869     -4.798890      7.450954
  C      -0.745440     -4.228452      8.256333
  C      -2.020913     -4.060912      7.764555
  C      -2.321160     -4.457288      6.438966
  N      -3.534954     -4.325920      5.836450
  C      -4.680309     -4.129340      6.563942
  C      -4.994079     -4.893826      7.712393
  O      -4.439294     -5.831322      8.249414
  Cl     -6.613814     -4.282679      8.442492
  H      -2.364047     -3.383867     -0.804840
  H      -1.229652     -1.244922     -1.211102
  H      -0.803718      0.347468      0.663062
  H      -1.387144     -0.282541      2.988407
  H      -2.583801     -2.104925      5.682495
  H      -6.381615     -7.893487      5.753304
  H      -8.695545     -7.276691      6.337498
  H      -9.613698     -5.060657      5.656348
  H      -8.246262     -3.469838      4.402432
  H      -6.792926     -2.253695      3.998248
  H       0.822720     -5.561303      5.523820
  H       1.280658     -4.909017      7.856026
  H      -0.508103     -3.893919      9.266774
  H      -2.801408     -3.599746      8.368474
  H      -5.437314     -3.463549      6.164511
  N      -7.639722     -4.349154      1.355465
  N      -7.613887     -3.272340      1.769246
  H      -8.179711     -2.412110      1.528560
74
Coordinates from ORCA-job orca E -7353.198688517577
  N      -3.154958     -4.220528      1.728305
  C      -3.628032     -5.142510      0.706521
  C      -3.773005     -6.527021      1.341443
  N      -2.910430     -6.579087      2.547014
  C      -3.152909     -7.831465      3.328807
  C      -4.037274     -7.529518      4.540639
  N      -4.699301     -6.264539      4.278008
  Mo     -3.541533     -4.709187      3.701210
  N      -1.668660     -5.286979      4.348121
  C      -0.724569     -5.980797      3.477604
  C      -1.465408     -6.430093      2.221718
  H      -0.302825     -6.841838      4.023661
  H       0.117341     -5.325900      3.198908
  H      -1.072766     -7.385885      1.838962
  H      -1.362166     -5.681990      1.431885
  H      -4.758664     -8.343943      4.694168
  H      -3.431436     -7.441034      5.456930
  H      -3.630608     -8.563228      2.661768
  H      -2.188713     -8.248376      3.642674
  H      -2.917831     -5.187149     -0.132864
  H      -4.596696     -4.800921      0.303247
  H      -3.489319     -7.326967      0.636397
  H      -4.800386     -6.707562      1.681342
  C      -2.459535     -3.122213      1.358115
  C      -2.110763     -2.752298      0.033674
  C      -1.486665     -1.541722     -0.196438
  C      -1.226751     -0.643274      0.864546
  C      -1.542656     -0.989096      2.161864
  C      -2.111696     -2.253855      2.436760
  N      -2.490592     -2.691318      3.680583
  C      -1.963267     -2.130414      4.785866
  C      -0.626647     -1.692706      5.042238
  O      -0.230230     -1.056801      5.992339
  Cl      0.673747     -2.373621      3.873241
  C      -5.976820     -6.039614      4.690633
  C      -6.783783     -6.941750      5.417693
  C      -8.080669     -6.591762      5.754274
  C      -8.594760     -5.340653      5.377340
  C      -7.813780     -4.433659      4.674457
  C      -6.487504     -4.759225      4.320693
  N      -5.586357     -3.956594      3.605337
  C      -6.090960     -2.711911      3.309541
  C      -5.646771     -1.840389      2.267182
  O      -4.890718     -1.933650      1.341361
  Cl     -6.774554     -0.309350      2.325363
  C      -1.281239     -4.989244      5.608288
  C       0.020097     -5.167426      6.149907
  C       0.272097     -4.793950      7.452779
  C      -0.748858     -4.225809      8.257624
  C      -2.024395     -4.060362      7.764957
  C      -2.322733     -4.457055      6.439109
  N      -3.536145     -4.327835      5.835398
  C      -4.682233     -4.133015      6.562662
  C      -4.994858     -4.898254      7.710359
  O      -4.438669     -5.834336      8.248104
  Cl     -6.617418     -4.291517      8.438484
  H      -2.370371     -3.392363     -0.807866
  H      -1.232676     -1.255774     -1.218483
  H      -0.799620      0.337455      0.653246
  H      -1.381284     -0.288156      2.980099
  H      -2.587832     -2.104976      5.677357
  H      -6.379655     -7.897599      5.747571
  H      -8.693439     -7.284109      6.332308
  H      -9.614174     -5.066510      5.651470
  H      -8.248403     -3.474837      4.400497
  H      -6.789503     -2.254825      4.009145
  H       0.824386     -5.554337      5.526026
  H       1.279022     -4.902446      7.858091
  H      -0.513142     -3.891104      9.268390
  H      -2.806520     -3.600700      8.368110
  H      -5.440517     -3.469105      6.162702
  N      -7.670069     -4.310292      1.347914
  N      -7.623038     -3.239786      1.773064
  H      -8.167468     -2.361379      1.545771
74
Coordinates from ORCA-job orca E -7353.198738067373
  N      -3.159054     -4.224928      1.727735
  C      -3.631107     -5.150358      0.708303
  C      -3.770948     -6.534636      1.346176
  N      -2.906692     -6.580017      2.550828
  C      -3.142714     -7.830912      3.336444
  C      -4.040491     -7.533120      4.539853
  N      -4.699971     -6.266972      4.276837
  Mo     -3.542736     -4.710656      3.702251
  N      -1.667684     -5.284655      4.348852
  C      -0.721232     -5.972352      3.476060
  C      -1.462526     -6.427880      2.222600
  H      -0.291107     -6.829604      4.021468
  H       0.114578     -5.310779      3.194723
  H      -1.068347     -7.383980      1.842324
  H      -1.362875     -5.682115      1.430157
  H      -4.764257     -8.347456      4.682414
  H      -3.444032     -7.449857      5.462849
  H      -3.605829     -8.571440      2.668748
  H      -2.176768     -8.235276      3.660825
  H      -2.921739     -5.194392     -0.131732
  H      -4.601071     -4.812609      0.305310
  H      -3.485724     -7.334625      0.641886
  H      -4.797273     -6.716668      1.688045
  C      -2.461866     -3.128615      1.355639
  C      -2.114160     -2.761245      0.030066
  C      -1.487427     -1.552480     -0.202609
  C      -1.223766     -0.653171      0.856699
  C      -1.538960     -0.996215      2.154872
  C      -2.110768     -2.259209      2.432676
  N      -2.490853     -2.692654      3.677683
  C      -1.964898     -2.129888      4.782519
  C      -0.629295     -1.690003      5.040408
  O      -0.234948     -1.051707      5.989628
  Cl      0.674485     -2.371804      3.874654
  C      -5.978922     -6.042665      4.687099
  C      -6.787286     -6.946094      5.411226
  C      -8.085361     -6.597644      5.745174
  C      -8.599159     -5.346489      5.368241
  C      -7.816399     -4.438204      4.668812
  C      -6.489074     -4.762048      4.318177
  N      -5.586433     -3.956884      3.607382
  C      -6.090653     -2.710766      3.316413
  C      -5.640747     -1.831093      2.284069
  O      -4.879543     -1.914819      1.361977
  Cl     -6.775111     -0.301749      2.346984
  C      -1.280025     -4.985601      5.608471
  C       0.021881     -5.160815      6.149809
  C       0.272833     -4.787146      7.452835
  C      -0.749244     -4.221227      8.257846
  C      -2.025116     -4.058184      7.765341
  C      -2.322477     -4.455451      6.439396
  N      -3.536135     -4.329722      5.835759
  C      -4.682641     -4.138184      6.563916
  C      -4.992810     -4.907095      7.709338
  O      -4.434286     -5.842816      8.245271
  Cl     -6.617725     -4.306304      8.439201
  H      -2.376697     -3.401891     -0.810136
  H      -1.234369     -1.268255     -1.225387
  H      -0.794309      0.326192      0.643288
  H      -1.375521     -0.294182      2.971766
  H      -2.591194     -2.104289      5.672878
  H      -6.382613     -7.901831      5.740616
  H      -8.698658     -7.291539      6.320911
  H      -9.619534     -5.072386      5.638647
  H      -8.251136     -3.479499      4.394571
  H      -6.789575     -2.256570      4.017607
  H       0.827337     -5.545782      5.526293
  H       1.279922     -4.893773      7.858148
  H      -0.514038     -3.886278      9.268651
  H      -2.808400     -3.600206      8.368234
  H      -5.442983     -3.475617      6.165628
  N      -7.700204     -4.272383      1.341446
  N      -7.628707     -3.207478      1.778802
  H      -8.153368     -2.312996      1.566326
74
Coordinates from ORCA-job orca E -7353.198778125612
  N      -3.163772     -4.230166      1.727122
  C      -3.634587     -5.159419      0.710018
  C      -3.768319     -6.543110      1.351642
  N      -2.902340     -6.581116      2.555331
  C      -3.130783     -7.830265      3.345320
  C      -4.046326     -7.538120      4.537475
  N      -4.702024     -6.269737      4.274849
  Mo     -3.544303     -4.712968      3.703821
  N      -1.666235     -5.281840      4.349410
  C      -0.717209     -5.961795      3.473631
  C      -1.459306     -6.425541      2.223385
  H      -0.276299     -6.814303      4.017752
  H       0.110727     -5.292087      3.188359
  H      -1.063198     -7.382255      1.846766
  H      -1.363903     -5.683315      1.427180
  H      -4.773539     -8.351995      4.664488
  H      -3.462408     -7.462302      5.469164
  H      -3.574565     -8.581514      2.676380
  H      -2.163086     -8.218261      3.683803
  H      -2.926423     -5.203428     -0.130935
  H      -4.606204     -4.826524      0.307692
  H      -3.480985     -7.343403      0.648671
  H      -4.793382     -6.726771      1.695624
  C      -2.464364     -3.136024      1.353165
  C      -2.116987     -2.771457      0.026714
  C      -1.486890     -1.564897     -0.208459
  C      -1.219789     -0.664656      0.849104
  C      -1.535131     -1.004599      2.147980
  C      -2.109933     -2.265649      2.428786
  N      -2.491123     -2.694491      3.675043
  C      -1.966859     -2.129714      4.779248
  C      -0.632413     -1.686723      5.038566
  O      -0.240731     -1.045432      5.986709
  Cl      0.674897     -2.369522      3.876574
  C      -5.982364     -6.045490      4.683086
  C      -6.792065     -6.949679      5.404733
  C      -8.090832     -6.601876      5.736627
  C      -8.604106     -5.350705      5.359483
  C      -7.819888     -4.441952      4.662249
  C      -6.491782     -4.764336      4.314962
  N      -5.587793     -3.957290      3.608681
  C      -6.089251     -2.709077      3.324639
  C      -5.633309     -1.820425      2.302997
  O      -4.870649     -1.893858      1.381684
  Cl     -6.763427     -0.285928      2.382453
  C      -1.278098     -4.980656      5.608106
  C       0.024838     -5.151399      6.148759
  C       0.274694     -4.777382      7.451836
  C      -0.749111     -4.215184      8.257453
  C      -2.025709     -4.056008      7.765573
  C      -2.321875     -4.453655      6.439411
  N      -3.535958     -4.332548      5.836028
  C      -4.683264     -4.145277      6.564788
  C      -4.991408     -4.919357      7.706960
  O      -4.430919     -5.855536      8.239927
  Cl     -6.618731     -4.325224      8.439014
  H      -2.382310     -3.412646     -0.812204
  H      -1.233938     -1.282734     -1.231831
  H      -0.787646      0.313042      0.633616
  H      -1.370120     -0.301254      2.963397
  H      -2.594615     -2.104171      5.668727
  H      -6.386861     -7.905259      5.733693
  H      -8.705104     -7.296328      6.310649
  H      -9.625201     -5.076524      5.626969
  H      -8.254799     -3.483561      4.387635
  H      -6.787042     -2.258781      4.029602
  H       0.831546     -5.533497      5.525129
  H       1.282161     -4.880806      7.857203
  H      -0.514277     -3.880093      9.268328
  H      -2.810584     -3.601087      8.368698
  H      -5.445369     -3.483358      6.168822
  N      -7.730353     -4.233883      1.332759
  N      -7.639417     -3.176630      1.781865
  H      -8.147809     -2.268227      1.583331
74
Coordinates from ORCA-job orca E -7353.198818626287
  N      -3.168107     -4.234717      1.726466
  C      -3.637094     -5.167078      0.711269
  C      -3.766044     -6.550209      1.356097
  N      -2.898421     -6.581912      2.558905
  C      -3.119702     -7.829215      3.352728
  C      -4.055056     -7.544443      4.531714
  N      -4.705218     -6.272603      4.271168
  Mo     -3.546248     -4.715168      3.705030
  N      -1.665063     -5.279467      4.349686
  C      -0.713324     -5.950195      3.470306
  C      -1.456413     -6.423259      2.223598
  H      -0.260061     -6.797608      4.012166
  H       0.105501     -5.271288      3.180530
  H      -1.058304     -7.381008      1.851798
  H      -1.364878     -5.685713      1.422687
  H      -4.786800     -8.357154      4.639141
  H      -3.485737     -7.478827      5.473159
  H      -3.541405     -8.591566      2.681891
  H      -2.150841     -8.198857      3.707532
  H      -2.929598     -5.210567     -0.130273
  H      -4.610426     -4.839190      0.309409
  H      -3.477280     -7.351449      0.654924
  H      -4.790480     -6.734380      1.701841
  C      -2.465675     -3.142957      1.351165
  C      -2.117534     -2.780863      0.024456
  C      -1.483854     -1.576334     -0.212363
  C      -1.214520     -0.675446      0.843907
  C      -1.530945     -1.012947      2.143154
  C      -2.108370     -2.272308      2.426045
  N      -2.490483     -2.697545      3.673111
  C      -1.968475     -2.130614      4.776692
  C      -0.635443     -1.683402      5.037423
  O      -0.247261     -1.038888      5.984731
  Cl      0.676138     -2.367208      3.879991
  C      -5.985607     -6.048501      4.679712
  C      -6.795466     -6.953638      5.399703
  C      -8.093565     -6.605479      5.733261
  C      -8.606040     -5.353135      5.358650
  C      -7.821169     -4.444722      4.661975
  C      -6.493193     -4.766023      4.314085
  N      -5.589419     -3.957061      3.610130
  C      -6.089977     -2.707108      3.329171
  C      -5.629799     -1.812525      2.315107
  O      -4.860311     -1.879219      1.398533
  Cl     -6.768460     -0.281908      2.392118
  C      -1.276633     -4.976342      5.607464
  C       0.027605     -5.141978      6.147493
  C       0.276155     -4.767996      7.450701
  C      -0.749971     -4.210976      8.257464
  C      -2.027414     -4.056567      7.766449
  C      -2.321973     -4.453501      6.439577
  N      -3.536127     -4.336492      5.836463
  C      -4.683928     -4.152675      6.565615
  C      -4.989907     -4.929769      7.705456
  O      -4.427494     -5.865768      8.236413
  Cl     -6.618833     -4.340396      8.439388
  H      -2.384958     -3.422104     -0.813798
  H      -1.230071     -1.295994     -1.236019
  H      -0.779916      0.300850      0.627030
  H      -1.365289     -0.308395      2.957386
  H      -2.597296     -2.105006      5.665366
  H      -6.389574     -7.909811      5.726271
  H      -8.708637     -7.299729      6.306437
  H      -9.626868     -5.078432      5.626889
  H      -8.256046     -3.485449      4.389547
  H      -6.790154     -2.260228      4.033657
  H       0.835653     -5.520206      5.523272
  H       1.284051     -4.867325      7.856383
  H      -0.515474     -3.876225      9.268610
  H      -2.814139     -3.606022      8.370561
  H      -5.447334     -3.490945      6.171882
  N      -7.758664     -4.193483      1.322588
  N      -7.646406     -3.143643      1.784242
  H      -8.140463     -2.223730      1.600901
74
Coordinates from ORCA-job orca E -7353.198879054818
  N      -3.172729     -4.240541      1.726150
  C      -3.638417     -5.176048      0.712896
  C      -3.762898     -6.558294      1.361878
  N      -2.893222     -6.583183      2.563562
  C      -3.105234     -7.827738      3.362642
  C      -4.068916     -7.554124      4.522524
  N      -4.710289     -6.276427      4.266665
  Mo     -3.548059     -4.718895      3.706870
  N      -1.663401     -5.276683      4.350051
  C      -0.708225     -5.935131      3.465838
  C      -1.452787     -6.420723      2.223971
  H      -0.238668     -6.775646      4.004495
  H       0.098407     -5.244393      3.169897
  H      -1.051710     -7.379863      1.859040
  H      -1.365925     -5.689786      1.416568
  H      -4.807104     -8.364553      4.600154
  H      -3.521235     -7.504841      5.477789
  H      -3.494982     -8.605090      2.689272
  H      -2.135763     -8.171496      3.740794
  H      -2.931100     -5.219607     -0.128776
  H      -4.613574     -4.855135      0.310566
  H      -3.473486     -7.361567      0.663378
  H      -4.786694     -6.741823      1.710315
  C      -2.467769     -3.150701      1.349307
  C      -2.119297     -2.790957      0.022307
  C      -1.483209     -1.587838     -0.216588
  C      -1.212442     -0.685798      0.838182
  C      -1.529321     -1.021222      2.137924
  C      -2.107780     -2.279589      2.423151
  N      -2.488804     -2.702397      3.671172
  C      -1.968524     -2.133260      4.773873
  C      -0.636938     -1.680522      5.034849
  O      -0.252353     -1.033004      5.981416
  Cl      0.678519     -2.361761      3.879742
  C      -5.991187     -6.050956      4.675706
  C      -6.802853     -6.956137      5.393626
  C      -8.100308     -6.606105      5.727812
  C      -8.610818     -5.352348      5.354831
  C      -7.823733     -4.445076      4.659304
  C      -6.495629     -4.766344      4.313010
  N      -5.590579     -3.956935      3.612783
  C      -6.087917     -2.704507      3.336354
  C      -5.623493     -1.804814      2.329652
  O      -4.852741     -1.865143      1.414204
  Cl     -6.759096     -0.270065      2.417296
  C      -1.274594     -4.971132      5.606617
  C       0.031250     -5.130119      6.145185
  C       0.278653     -4.756850      7.448417
  C      -0.749953     -4.206712      8.257163
  C      -2.028358     -4.057977      7.767690
  C      -2.321663     -4.453774      6.440172
  N      -3.536159     -4.341085      5.837614
  C      -4.684543     -4.161307      6.567124
  C      -4.988170     -4.940814      7.705425
  O      -4.423475     -5.876417      8.234635
  Cl     -6.618727     -4.356243      8.441006
  H      -2.388492     -3.432520     -0.815194
  H      -1.228936     -1.309454     -1.240674
  H      -0.776637      0.289683      0.619757
  H      -1.363489     -0.315067      2.950723
  H      -2.597120     -2.108205      5.662746
  H      -6.398079     -7.913433      5.718195
  H      -8.717924     -7.299230      6.299652
  H      -9.631418     -5.077299      5.623257
  H      -8.257391     -3.484965      4.388215
  H      -6.789157     -2.261187      4.042212
  H       0.840394     -5.503346      5.519405
  H       1.286886     -4.851293      7.853942
  H      -0.515734     -3.872916      9.268612
  H      -2.816797     -3.613107      8.373706
  H      -5.449378     -3.500004      6.175426
  N      -7.782390     -4.158267      1.313478
  N      -7.652008     -3.115593      1.787258
  H      -8.134842     -2.186340      1.617996
74
Coordinates from ORCA-job orca E -7353.198942207992
  N      -3.172680     -4.242192      1.727256
  C      -3.634424     -5.176179      0.712246
  C      -3.761698     -6.557985      1.362525
  N      -2.891387     -6.583139      2.564684
  C      -3.098359     -7.825626      3.366764
  C      -4.087722     -7.563663      4.509178
  N      -4.717814     -6.277878      4.262897
  Mo     -3.548758     -4.721847      3.708835
  N      -1.662045     -5.275795      4.349505
  C      -0.705400     -5.924643      3.460598
  C      -1.452171     -6.419716      2.222684
  H      -0.223082     -6.760385      3.995426
  H       0.091834     -5.225409      3.159052
  H      -1.049278     -7.380637      1.864373
  H      -1.367067     -5.695214      1.409321
  H      -4.833504     -8.369766      4.555303
  H      -3.560488     -7.534420      5.476717
  H      -3.458750     -8.614550      2.689991
  H      -2.129975     -8.146808      3.766891
  H      -2.925569     -5.220992     -0.128025
  H      -4.609306     -4.860749      0.307510
  H      -3.474567     -7.363966      0.666226
  H      -4.786312     -6.737022      1.711813
  C      -2.467044     -3.151857      1.351410
  C      -2.116903     -2.791473      0.025414
  C      -1.481836     -1.587400     -0.212744
  C      -1.214398     -0.684908      0.842372
  C      -1.532434     -1.021684      2.141638
  C      -2.108083     -2.281470      2.425885
  N      -2.485396     -2.707363      3.673585
  C      -1.964918     -2.138222      4.775799
  C      -0.633776     -1.681156      5.034721
  O      -0.250812     -1.032960      5.981344
  Cl      0.682030     -2.356538      3.877237
  C      -5.998149     -6.048597      4.676508
  C      -6.811818     -6.951623      5.395045
  C      -8.106904     -6.595939      5.733021
  C      -8.613790     -5.339889      5.361749
  C      -7.824268     -4.436562      4.663962
  C      -6.497574     -4.760958      4.317004
  N      -5.591278     -3.955695      3.615925
  C      -6.084971     -2.702506      3.336769
  C      -5.624441     -1.809542      2.322811
  O      -4.861027     -1.876977      1.401827
  Cl     -6.744991     -0.265625      2.417781
  C      -1.272496     -4.969022      5.605119
  C       0.034997     -5.122944      6.141268
  C       0.282914     -4.751547      7.444388
  C      -0.746986     -4.208026      8.256303
  C      -2.026379     -4.063279      7.769316
  C      -2.320217     -4.456467      6.441156
  N      -3.535294     -4.344571      5.839746
  C      -4.683797     -4.165995      6.569038
  C      -4.987454     -4.944988      7.707933
  O      -4.422798     -5.881317      8.236190
  Cl     -6.616310     -4.358506      8.445226
  H      -2.384453     -3.432690     -0.812915
  H      -1.226053     -1.309050     -1.236486
  H      -0.780591      0.291672      0.624782
  H      -1.369073     -0.314983      2.954450
  H      -2.590399     -2.114404      5.666808
  H      -6.410629     -7.911165      5.717386
  H      -8.728203     -7.285261      6.305695
  H      -9.632775     -5.063573      5.634322
  H      -8.255470     -3.475198      4.394273
  H      -6.787996     -2.258908      4.040713
  H       0.843676     -5.491603      5.512177
  H       1.291493     -4.842099      7.849083
  H      -0.511997     -3.876385      9.268154
  H      -2.815033     -3.623702      8.378649
  H      -5.447787     -3.502938      6.178517
  N      -7.767853     -4.174970      1.310998
  N      -7.649491     -3.129923      1.783834
  H      -8.152780     -2.212672      1.609259
74
Coordinates from ORCA-job orca E -7353.198960793080
  N      -3.173910     -4.243363      1.727512
  C      -3.631449     -5.177460      0.712126
  C      -3.760351     -6.559003      1.363444
  N      -2.890225     -6.582843      2.565711
  C      -3.093871     -7.823511      3.369853
  C      -4.101258     -7.570034      4.498621
  N      -4.722522     -6.278216      4.259544
  Mo     -3.549805     -4.722646      3.709786
  N      -1.661332     -5.274274      4.349198
  C      -0.703433     -5.915672      3.456986
  C      -1.451616     -6.418894      2.222434
  H      -0.210879     -6.747183      3.989151
  H       0.086027     -5.209525      3.150910
  H      -1.047308     -7.381433      1.870046
  H      -1.367465     -5.699974      1.404119
  H      -4.852544     -8.372070      4.521361
  H      -3.589303     -7.556235      5.474606
  H      -3.433185     -8.620308      2.691498
  H      -2.127080     -8.128649      3.785670
  H      -2.920447     -5.221642     -0.126360
  H      -4.606942     -4.866275      0.304878
  H      -3.473906     -7.367442      0.669748
  H      -4.786026     -6.734765      1.711752
  C      -2.467523     -3.152942      1.351865
  C      -2.115655     -2.792742      0.026536
  C      -1.481050     -1.588124     -0.211372
  C      -1.216369     -0.684775      0.843663
  C      -1.535621     -1.021940      2.142650
  C      -2.109257     -2.282684      2.426538
  N      -2.483552     -2.710743      3.674193
  C      -1.963239     -2.140863      4.775908
  C      -0.632673     -1.680272      5.033250
  O      -0.250654     -1.031592      5.979836
  Cl      0.683646     -2.352044      3.873913
  C      -6.001696     -6.046823      4.676749
  C      -6.816192     -6.948788      5.395444
  C      -8.109600     -6.589708      5.736594
  C      -8.614572     -5.332113      5.367193
  C      -7.824015     -4.431137      4.667694
  C      -6.497984     -4.757157      4.319989
  N      -5.591720     -3.953913      3.618461
  C      -6.083280     -2.700443      3.338066
  C      -5.623937     -1.811406      2.320375
  O      -4.863029     -1.882291      1.397862
  Cl     -6.734357     -0.261697      2.419426
  C      -1.271724     -4.967442      5.604248
  C       0.036583     -5.119027      6.139169
  C       0.284370     -4.750309      7.442558
  C      -0.746518     -4.211531      8.256755
  C      -2.026130     -4.068298      7.771061
  C      -2.319858     -4.458273      6.441927
  N      -3.534842     -4.345847      5.841188
  C      -4.683194     -4.167381      6.570403
  C      -4.987088     -4.946294      7.709110
  O      -4.423035     -5.883662      8.236177
  Cl     -6.614850     -4.358189      8.447646
  H      -2.381803     -3.433878     -0.812339
  H      -1.223865     -1.310261     -1.234910
  H      -0.783776      0.292475      0.626406
  H      -1.374103     -0.314592      2.955295
  H      -2.586667     -2.117882      5.668429
  H      -6.417129     -7.909916      5.715577
  H      -8.733113     -7.276699      6.309721
  H      -9.632418     -5.055394      5.643073
  H      -8.253421     -3.468729      4.399092
  H      -6.789025     -2.257882      4.040083
  H       0.844954     -5.484464      5.507804
  H       1.292775     -4.839128      7.847155
  H      -0.511242     -3.882564      9.269260
  H      -2.815113     -3.632664      8.382720
  H      -5.446027     -3.502156      6.181269
  N      -7.755462     -4.185870      1.308500
  N      -7.644403     -3.139319      1.783514
  H      -8.163256     -2.231254      1.607896
74
Coordinates from ORCA-job orca E -7353.198964066888
  N      -3.174164     -4.243738      1.727682
  C      -3.631500     -5.178159      0.712606
  C      -3.759802     -6.559722      1.364375
  N      -2.889921     -6.582866      2.566558
  C      -3.093317     -7.823358      3.371125
  C      -4.102386     -7.570417      4.498550
  N      -4.722773     -6.277925      4.260040
  Mo     -3.549616     -4.722273      3.710499
  N      -1.660643     -5.273989      4.349426
  C      -0.702810     -5.914523      3.456661
  C      -1.451359     -6.419213      2.222846
  H      -0.208583     -6.745247      3.988485
  H       0.085372     -5.207335      3.149622
  H      -1.047248     -7.382235      1.871611
  H      -1.367375     -5.701408      1.403509
  H      -4.854403     -8.371814      4.519132
  H      -3.591970     -7.558082      5.475401
  H      -3.431160     -8.620767      2.692814
  H      -2.126641     -8.127477      3.788080
  H      -2.920603     -5.222388     -0.125919
  H      -4.607368     -4.867132      0.305613
  H      -3.473299     -7.368444      0.671050
  H      -4.785615     -6.735300      1.712247
  C      -2.467656     -3.153440      1.351798
  C      -2.115920     -2.793264      0.026469
  C      -1.481477     -1.588488     -0.211599
  C      -1.216998     -0.684949      0.843275
  C      -1.536085     -1.022135      2.142310
  C      -2.109304     -2.283064      2.426418
  N      -2.483110     -2.711094      3.674294
  C      -1.962869     -2.140679      4.775800
  C      -0.632518     -1.679123      5.032750
  O      -0.250728     -1.029380      5.978677
  Cl      0.684246     -2.350981      3.873454
  C      -6.002359     -6.046331      4.676821
  C      -6.817895     -6.948366      5.394489
  C      -8.111634     -6.589177      5.734516
  C      -8.616078     -5.331237      5.365263
  C      -7.824409     -4.430049      4.667117
  C      -6.498225     -4.756287      4.320347
  N      -5.591339     -3.953064      3.619675
  C      -6.082784     -2.699597      3.338949
  C      -5.624184     -1.810680      2.320583
  O      -4.863421     -1.881514      1.398309
  Cl     -6.736244     -0.262452      2.417898
  C      -1.270757     -4.967086      5.604312
  C       0.037684     -5.118624      6.139073
  C       0.285401     -4.750414      7.442548
  C      -0.745556     -4.212120      8.257074
  C      -2.025160     -4.068776      7.771587
  C      -2.318825     -4.458159      6.442250
  N      -3.533826     -4.346038      5.841706
  C      -4.682219     -4.168137      6.571158
  C      -4.985979     -4.948168      7.708939
  O      -4.421824     -5.886058      8.234933
  Cl     -6.613986     -4.361037      8.448171
  H      -2.382188     -3.434353     -0.812419
  H      -1.224390     -1.310570     -1.235160
  H      -0.784710      0.292479      0.625837
  H      -1.374943     -0.314564      2.954844
  H      -2.586133     -2.117678      5.668418
  H      -6.419294     -7.909787      5.714208
  H      -8.736130     -7.276239      6.306622
  H      -9.634103     -5.054532      5.640333
  H      -8.253309     -3.467343      4.398711
  H      -6.789485     -2.257207      4.040198
  H       0.846028     -5.483777      5.507526
  H       1.293694     -4.839282      7.847272
  H      -0.510113     -3.883685      9.269695
  H      -2.814184     -3.633661      8.383552
  H      -5.445091     -3.502414      6.182901
  N      -7.753674     -4.184850      1.308524
  N      -7.643870     -3.138584      1.784365
  H      -8.165416     -2.232216      1.609410
74
Coordinates from ORCA-job orca E -7353.198967993207
  N      -3.175010     -4.244362      1.727121
  C      -3.632028     -5.179316      0.712449
  C      -3.758962     -6.560933      1.364565
  N      -2.889754     -6.582868      2.567014
  C      -3.093148     -7.823330      3.371922
  C      -4.103301     -7.570657      4.498410
  N      -4.723118     -6.277716      4.260150
  Mo     -3.550256     -4.721582      3.710564
  N      -1.660341     -5.273424      4.349329
  C      -0.702378     -5.912825      3.456140
  C      -1.451075     -6.419406      2.223082
  H      -0.206088     -6.742450      3.987702
  H       0.084185     -5.204258      3.148068
  H      -1.047185     -7.383023      1.873232
  H      -1.367208     -5.702866      1.402558
  H      -4.856053     -8.371390      4.517483
  H      -3.594152     -7.559253      5.475980
  H      -3.430744     -8.620901      2.693637
  H      -2.126469     -8.127529      3.789043
  H      -2.921170     -5.223389     -0.126067
  H      -4.608232     -4.868277      0.305895
  H      -3.471598     -7.369650      0.671587
  H      -4.784986     -6.736998      1.711393
  C      -2.467806     -3.154600      1.351086
  C      -2.115394     -2.794943      0.025864
  C      -1.480373     -1.590428     -0.212271
  C      -1.216230     -0.686620      0.842379
  C      -1.536057     -1.023290      2.141364
  C      -2.109601     -2.284002      2.425694
  N      -2.484072     -2.711209      3.673660
  C      -1.964728     -2.139742      4.775048
  C      -0.634909     -1.676943      5.032270
  O      -0.253913     -1.025562      5.977384
  Cl      0.683095     -2.350100      3.874511
  C      -6.002750     -6.046161      4.676786
  C      -6.818743     -6.948552      5.393516
  C      -8.112484     -6.589505      5.733379
  C      -8.616619     -5.331103      5.365264
  C      -7.824435     -4.429440      4.668353
  C      -6.498304     -4.755656      4.321081
  N      -5.591243     -3.951876      3.620912
  C      -6.082586     -2.698310      3.339920
  C      -5.623092     -1.808289      2.322564
  O      -4.860347     -1.877685      1.401947
  Cl     -6.735090     -0.260379      2.420481
  C      -1.270327     -4.966389      5.604052
  C       0.038247     -5.117770      6.138957
  C       0.285653     -4.749862      7.442571
  C      -0.745561     -4.212004      8.257230
  C      -2.025147     -4.068767      7.771709
  C      -2.318432     -4.457718      6.442089
  N      -3.533418     -4.346243      5.841761
  C      -4.681782     -4.169214      6.571618
  C      -4.985150     -4.950919      7.708041
  O      -4.420814     -5.889497      8.232484
  Cl     -6.613125     -4.364870      8.448612
  H      -2.381564     -3.436107     -0.813025
  H      -1.222655     -1.312801     -1.235751
  H      -0.783609      0.290631      0.624767
  H      -1.375545     -0.315386      2.953735
  H      -2.588507     -2.116686      5.667285
  H      -6.420117     -7.910282      5.712262
  H      -8.737417     -7.276895      6.304552
  H      -9.634652     -5.054268      5.640252
  H      -8.253049     -3.466242      4.401024
  H      -6.790097     -2.256593      4.040783
  H       0.846807     -5.482557      5.507490
  H       1.293880     -4.838596      7.847619
  H      -0.510071     -3.883875      9.269974
  H      -2.814490     -3.634164      8.383668
  H      -5.444790     -3.502848      6.184712
  N      -7.750973     -4.182552      1.307791
  N      -7.642349     -3.136823      1.785509
  H      -8.166731     -2.231947      1.611992
74
Coordinates from ORCA-job orca E -7353.198969713030
  N      -3.175270     -4.244939      1.726913
  C      -3.632694     -5.180068      0.712622
  C      -3.758584     -6.561668      1.364966
  N      -2.889645     -6.582963      2.567526
  C      -3.093037     -7.823374      3.372667
  C      -4.103391     -7.570444      4.498926
  N      -4.723257     -6.277516      4.260245
  Mo     -3.550497     -4.721332      3.710744
  N      -1.660090     -5.273122      4.349262
  C      -0.702099     -5.911984      3.455842
  C      -1.450980     -6.419590      2.223282
  H      -0.204773     -6.741070      3.987285
  H       0.083702     -5.202781      3.147200
  H      -1.047277     -7.383524      1.874115
  H      -1.367357     -5.703741      1.402099
  H      -4.856192     -8.371113      4.517706
  H      -3.594823     -7.558773      5.476775
  H      -3.431006     -8.620914      2.694414
  H      -2.126309     -8.128035      3.789440
  H      -2.922250     -5.224147     -0.126329
  H      -4.609162     -4.868905      0.306839
  H      -3.470659     -7.370223      0.672020
  H      -4.784632     -6.738335      1.711778
  C      -2.467721     -3.155518      1.350714
  C      -2.114928     -2.796294      0.025502
  C      -1.479698     -1.591905     -0.212837
  C      -1.215885     -0.687750      0.841573
  C      -1.536121     -1.023996      2.140572
  C      -2.109670     -2.284642      2.425221
  N      -2.484604     -2.711186      3.673292
  C      -1.965864     -2.139090      4.774617
  C      -0.636430     -1.675240      5.032052
  O      -0.256243     -1.022999      5.976905
  Cl      0.682526     -2.348735      3.875456
  C      -6.002992     -6.045888      4.676361
  C      -6.819315     -6.948475      5.392421
  C      -8.113152     -6.589654      5.731756
  C      -8.617132     -5.331183      5.364020
  C      -7.824770     -4.429102      4.667938
  C      -6.498506     -4.755246      4.320950
  N      -5.591158     -3.951065      3.621464
  C      -6.082669     -2.697566      3.340633
  C      -5.621959     -1.806241      2.324913
  O      -4.858130     -1.874492      1.405251
  Cl     -6.734325     -0.258732      2.423513
  C      -1.269896     -4.966003      5.603833
  C       0.038690     -5.117328      6.138742
  C       0.285912     -4.749590      7.442407
  C      -0.745350     -4.211882      8.257132
  C      -2.024912     -4.068658      7.771636
  C      -2.317999     -4.457490      6.441949
  N      -3.532980     -4.346490      5.841672
  C      -4.681333     -4.170083      6.571688
  C      -4.984414     -4.952520      7.707601
  O      -4.419822     -5.891314      8.231401
  Cl     -6.612694     -4.367534      8.448506
  H      -2.380900     -3.437735     -0.813258
  H      -1.221600     -1.314558     -1.236302
  H      -0.783228      0.289419      0.623721
  H      -1.376135     -0.315758      2.952742
  H      -2.589952     -2.116298      5.666694
  H      -6.420572     -7.910209      5.710903
  H      -8.738421     -7.277279      6.302212
  H      -9.635298     -5.054476      5.638647
  H      -8.253147     -3.465814      4.400938
  H      -6.790387     -2.256261      4.041592
  H       0.847373     -5.482000      5.507374
  H       1.294055     -4.838336      7.847577
  H      -0.509822     -3.883902      9.269899
  H      -2.814341     -3.634286      8.383645
  H      -5.444635     -3.503754      6.185289
  N      -7.749734     -4.180958      1.307774
  N      -7.641882     -3.135650      1.786883
  H      -8.168082     -2.231734      1.614691
74
Coordinates from ORCA-job orca E -7353.198972419110
  N      -3.175675     -4.246023      1.726520
  C      -3.633473     -5.181325      0.712570
  C      -3.757917     -6.562964      1.365162
  N      -2.889346     -6.583331      2.568144
  C      -3.092702     -7.823534      3.373683
  C      -4.103809     -7.570357      4.499301
  N      -4.723899     -6.277545      4.259894
  Mo     -3.550972     -4.721545      3.710913
  N      -1.659886     -5.272895      4.349150
  C      -0.701659     -5.910577      3.455318
  C      -1.450758     -6.419825      2.223504
  H      -0.202604     -6.738815      3.986489
  H       0.082858     -5.200266      3.145864
  H      -1.047027     -7.384108      1.875352
  H      -1.367639     -5.705011      1.401372
  H      -4.856412     -8.371209      4.517326
  H      -3.596332     -7.558106      5.477636
  H      -3.430467     -8.621282      2.695434
  H      -2.126011     -8.128186      3.790593
  H      -2.923746     -5.225239     -0.127082
  H      -4.610307     -4.870463      0.307871
  H      -3.468840     -7.371213      0.672359
  H      -4.783830     -6.740731      1.712169
  C      -2.467702     -3.156970      1.350210
  C      -2.114299     -2.798306      0.025052
  C      -1.478675     -1.594156     -0.213530
  C      -1.215259     -0.689605      0.840598
  C      -1.536088     -1.025355      2.139587
  C      -2.109711     -2.285883      2.424602
  N      -2.485176     -2.711719      3.672748
  C      -1.967191     -2.138918      4.774009
  C      -0.638255     -1.673639      5.031710
  O      -0.259279     -1.020227      5.976217
  Cl      0.681908     -2.347057      3.876534
  C      -6.003827     -6.045772      4.675414
  C      -6.820764     -6.948817      5.390274
  C      -8.114674     -6.590125      5.729143
  C      -8.618074     -5.331153      5.362523
  C      -7.825198     -4.428523      4.667854
  C      -6.498889     -4.754688      4.320899
  N      -5.591185     -3.949989      3.622239
  C      -6.082953     -2.696460      3.341644
  C      -5.620556     -1.802854      2.328690
  O      -4.855196     -1.869381      1.410264
  Cl     -6.732575     -0.255368      2.429521
  C      -1.269472     -4.965385      5.603460
  C       0.039246     -5.115949      6.138261
  C       0.286296     -4.747938      7.441848
  C      -0.745147     -4.210704      8.256676
  C      -2.024838     -4.068270      7.771344
  C      -2.317691     -4.457392      6.441723
  N      -3.532748     -4.347306      5.841490
  C      -4.681072     -4.171748      6.571646
  C      -4.983549     -4.954539      7.707460
  O      -4.418348     -5.893184      8.230956
  Cl     -6.612181     -4.370869      8.448512
  H      -2.379910     -3.440122     -0.813533
  H      -1.219962     -1.317251     -1.236963
  H      -0.782534      0.287455      0.622473
  H      -1.376738     -0.316712      2.951501
  H      -2.591539     -2.116433      5.665907
  H      -6.422100     -7.910834      5.708052
  H      -8.740675     -7.278107      6.298359
  H      -9.636317     -5.054515      5.636996
  H      -8.253066     -3.464785      4.401899
  H      -6.790526     -2.255726      4.043155
  H       0.848144     -5.480237      5.506953
  H       1.294472     -4.836037      7.847046
  H      -0.509547     -3.882488      9.269339
  H      -2.814429     -3.634367      8.383462
  H      -5.444910     -3.505826      6.185629
  N      -7.747005     -4.178475      1.308114
  N      -7.640886     -3.133796      1.789306
  H      -8.169432     -2.230984      1.619392
74
Coordinates from ORCA-job orca E -7353.198974248326
  N      -3.175937     -4.247022      1.726279
  C      -3.634001     -5.182542      0.712650
  C      -3.757569     -6.564131      1.365406
  N      -2.889123     -6.583943      2.568659
  C      -3.092529     -7.823769      3.374648
  C      -4.104252     -7.570162      4.499643
  N      -4.724710     -6.277660      4.259168
  Mo     -3.551265     -4.722188      3.710978
  N      -1.659680     -5.272782      4.348952
  C      -0.701274     -5.909572      3.454773
  C      -1.450641     -6.420319      2.223679
  H      -0.200849     -6.737098      3.985804
  H       0.082252     -5.198493      3.144528
  H      -1.046716     -7.384849      1.876442
  H      -1.367996     -5.706434      1.400715
  H      -4.856362     -8.371474      4.517488
  H      -3.597439     -7.556836      5.478244
  H      -3.429744     -8.621898      2.696556
  H      -2.125957     -8.127903      3.792214
  H      -2.925018     -5.226321     -0.127676
  H      -4.611317     -4.872426      0.308751
  H      -3.467674     -7.372103      0.672625
  H      -4.783282     -6.742867      1.712623
  C      -2.467701     -3.158181      1.349873
  C      -2.113855     -2.799932      0.024742
  C      -1.477971     -1.595955     -0.214062
  C      -1.214849     -0.691084      0.839853
  C      -1.536067     -1.026483      2.138840
  C      -2.109672     -2.286954      2.424153
  N      -2.485393     -2.712418      3.672339
  C      -1.968118     -2.139126      4.773586
  C      -0.639640     -1.672470      5.031621
  O      -0.261881     -1.018391      5.976145
  Cl      0.681639     -2.345132      3.877509
  C      -6.004768     -6.045738      4.674178
  C      -6.822198     -6.949188      5.387966
  C      -8.116112     -6.590465      5.726598
  C      -8.618910     -5.331026      5.360891
  C      -7.825619     -4.428040      4.667226
  C      -6.499245     -4.754238      4.320413
  N      -5.591121     -3.949228      3.622684
  C      -6.083041     -2.695597      3.342649
  C      -5.618980     -1.799819      2.332495
  O      -4.852586     -1.865140      1.414915
  Cl     -6.730657     -0.252342      2.435066
  C      -1.269130     -4.964793      5.603035
  C       0.039771     -5.114271      6.137616
  C       0.286738     -4.745830      7.441055
  C      -0.744930     -4.209262      8.256029
  C      -2.024813     -4.067936      7.770943
  C      -2.317536     -4.457506      6.441473
  N      -3.532731     -4.348361      5.841302
  C      -4.681025     -4.173487      6.571615
  C      -4.982846     -4.956266      7.707649
  O      -4.416945     -5.894487      8.231233
  Cl     -6.611818     -4.373725      8.448692
  H      -2.379162     -3.442066     -0.813680
  H      -1.218798     -1.319434     -1.237483
  H      -0.782136      0.285924      0.621504
  H      -1.377113     -0.317510      2.950530
  H      -2.592654     -2.116983      5.665365
  H      -6.423745     -7.911503      5.705091
  H      -8.742815     -7.278605      6.294824
  H      -9.637164     -5.054481      5.635426
  H      -8.252986     -3.463854      4.402221
  H      -6.790439     -2.255333      4.044693
  H       0.848822     -5.478074      5.506222
  H       1.294998     -4.833025      7.846154
  H      -0.509286     -3.880694      9.268544
  H      -2.814592     -3.634616      8.383216
  H      -5.445386     -3.508101      6.185746
  N      -7.744338     -4.175935      1.308399
  N      -7.639926     -3.131946      1.791688
  H      -8.170726     -2.230138      1.624280
74
Coordinates from ORCA-job orca E -7353.199100779103
  N      -3.176634     -4.250426      1.726264
  C      -3.638768     -5.188531      0.715319
  C      -3.759303     -6.569855      1.369514
  N      -2.889160     -6.585486      2.571233
  C      -3.089434     -7.822945      3.380855
  C      -4.109901     -7.571762      4.496858
  N      -4.726599     -6.278157      4.255270
  Mo     -3.551532     -4.723405      3.711134
  N      -1.659295     -5.273869      4.348459
  C      -0.700385     -5.907477      3.452420
  C      -1.450883     -6.422449      2.224074
  H      -0.195242     -6.731726      3.983790
  H       0.079474     -5.193321      3.140085
  H      -1.047520     -7.388204      1.879438
  H      -1.369388     -5.711175      1.398832
  H      -4.862708     -8.372548      4.506975
  H      -3.612113     -7.561988      5.479807
  H      -3.417188     -8.626026      2.704371
  H      -2.123601     -8.119200      3.805155
  H      -2.932567     -5.233151     -0.127217
  H      -4.617233     -4.875971      0.313824
  H      -3.467514     -7.376806      0.676543
  H      -4.783385     -6.753294      1.717213
  C      -2.468124     -3.162632      1.349079
  C      -2.115225     -2.805765      0.022882
  C      -1.480784     -1.601900     -0.217462
  C      -1.217036     -0.695791      0.835386
  C      -1.536732     -1.029539      2.135000
  C      -2.109784     -2.289712      2.422128
  N      -2.488504     -2.712700      3.670723
  C      -1.976641     -2.135698      4.772854
  C      -0.650644     -1.665607      5.035872
  O      -0.278534     -1.010326      5.981661
  Cl      0.677751     -2.339039      3.892094
  C      -6.005703     -6.045270      4.667686
  C      -6.823920     -6.951431      5.376426
  C      -8.118090     -6.593928      5.714802
  C      -8.619314     -5.332363      5.354478
  C      -7.825212     -4.424513      4.667874
  C      -6.499027     -4.752298      4.319271
  N      -5.588893     -3.945949      3.624119
  C      -6.078783     -2.691064      3.347234
  C      -5.608643     -1.792191      2.341727
  O      -4.838249     -1.857962      1.426752
  Cl     -6.718457     -0.244256      2.443750
  C      -1.267632     -4.965732      5.602638
  C       0.042395     -5.111894      6.135842
  C       0.290441     -4.741294      7.439055
  C      -0.741024     -4.204933      8.254161
  C      -2.022084     -4.065979      7.769736
  C      -2.315783     -4.458814      6.441377
  N      -3.531820     -4.351241      5.841228
  C      -4.680096     -4.177626      6.572362
  C      -4.980608     -4.961134      7.708976
  O      -4.413348     -5.898348      8.233129
  Cl     -6.611579     -4.383624      8.447890
  H      -2.380560     -3.449114     -0.814442
  H      -1.223213     -1.326260     -1.241442
  H      -0.785371      0.281048      0.615586
  H      -1.377567     -0.319549      2.945739
  H      -2.605194     -2.114135      5.661739
  H      -6.426115     -7.915400      5.689846
  H      -8.744720     -7.285304      6.279023
  H      -9.638327     -5.056357      5.627476
  H      -8.251415     -3.458312      4.406718
  H      -6.783968     -2.249420      4.049994
  H       0.851914     -5.473995      5.504068
  H       1.300314     -4.825777      7.842515
  H      -0.505018     -3.873545      9.265968
  H      -2.811700     -3.630983      8.381148
  H      -5.446219     -3.515037      6.185380
  N      -7.735222     -4.161452      1.313763
  N      -7.632362     -3.120525      1.801355
  H      -8.165227     -2.219599      1.640835
74
Coordinates from ORCA-job orca E -7353.199166452080
  N      -3.178796     -4.257156      1.726980
  C      -3.650336     -5.200815      0.721993
  C      -3.762380     -6.582122      1.378465
  N      -2.887933     -6.586781      2.575984
  C      -3.076395     -7.818125      3.395037
  C      -4.127669     -7.579435      4.481798
  N      -4.732481     -6.280471      4.243210
  Mo     -3.553522     -4.726006      3.710509
  N      -1.660671     -5.274408      4.347691
  C      -0.698846     -5.898260      3.447154
  C      -1.450401     -6.422772      2.224055
  H      -0.181706     -6.714045      3.979489
  H       0.071360     -5.175210      3.131546
  H      -1.046789     -7.390261      1.884374
  H      -1.372193     -5.716165      1.394626
  H      -4.882930     -8.377742      4.462566
  H      -3.659526     -7.587182      5.479061
  H      -3.368156     -8.637621      2.722183
  H      -2.113341     -8.084815      3.843509
  H      -2.950269     -5.245848     -0.125429
  H      -4.630481     -4.881917      0.325954
  H      -3.464653     -7.385760      0.684288
  H      -4.782535     -6.779676      1.726183
  C      -2.467270     -3.173533      1.348819
  C      -2.112635     -2.822066      0.020458
  C      -1.475117     -1.621637     -0.222544
  C      -1.206628     -0.713883      0.828206
  C      -1.527498     -1.041235      2.128799
  C      -2.108291     -2.296866      2.419059
  N      -2.497298     -2.712887      3.667832
  C      -1.991801     -2.131550      4.771281
  C      -0.670994     -1.650941      5.036323
  O      -0.304892     -0.989799      5.980460
  Cl      0.657889     -2.271207      3.867142
  C      -6.009348     -6.044554      4.652522
  C      -6.829493     -6.956147      5.351647
  C      -8.123414     -6.599908      5.692562
  C      -8.619919     -5.332853      5.346515
  C      -7.824628     -4.415003      4.673991
  C      -6.500279     -4.748224      4.317520
  N      -5.586286     -3.939469      3.626124
  C      -6.072520     -2.680878      3.359694
  C      -5.596435     -1.775735      2.360560
  O      -4.822577     -1.842233      1.447011
  Cl     -6.704703     -0.229684      2.464477
  C      -1.267751     -4.966915      5.602839
  C       0.043949     -5.105925      6.133786
  C       0.293242     -4.731718      7.437188
  C      -0.738537     -4.197449      8.252183
  C      -2.021768     -4.064045      7.768161
  C      -2.316068     -4.462008      6.441595
  N      -3.533753     -4.358671      5.841204
  C      -4.681932     -4.192068      6.574938
  C      -4.974499     -4.976930      7.714308
  O      -4.396909     -5.905482      8.242842
  Cl     -6.607601     -4.412298      8.454105
  H      -2.378581     -3.468172     -0.814372
  H      -1.217506     -1.350038     -1.247504
  H      -0.770459      0.259981      0.605761
  H      -1.363718     -0.330102      2.937557
  H      -2.623581     -2.117103      5.658030
  H      -6.434913     -7.924240      5.656488
  H      -8.748158     -7.298667      6.249517
  H      -9.638949     -5.055357      5.619427
  H      -8.247418     -3.443984      4.422989
  H      -6.771404     -2.236558      4.066386
  H       0.855238     -5.463447      5.501695
  H       1.306094     -4.810902      7.836827
  H      -0.503844     -3.861392      9.263171
  H      -2.812369     -3.627366      8.377390
  H      -5.454929     -3.539527      6.185219
  N      -7.721895     -4.130537      1.330786
  N      -7.621779     -3.094925      1.824996
  H      -8.155952     -2.193306      1.679018
74
Coordinates from ORCA-job orca E -7353.199263086947
  N      -3.180208     -4.262538      1.726000
  C      -3.658609     -5.211181      0.726282
  C      -3.761717     -6.592596      1.384740
  N      -2.883725     -6.585975      2.578740
  C      -3.058834     -7.810632      3.407845
  C      -4.144799     -7.587653      4.462134
  N      -4.737189     -6.281950      4.230467
  Mo     -3.554583     -4.727279      3.707498
  N      -1.661179     -5.270466      4.344909
  C      -0.695617     -5.884116      3.440435
  C      -1.447293     -6.419205      2.222221
  H      -0.166012     -6.690866      3.973983
  H       0.064354     -5.151815      3.121422
  H      -1.041752     -7.387576      1.887355
  H      -1.373183     -5.716996      1.388770
  H      -4.902377     -8.382289      4.408010
  H      -3.709570     -7.617823      5.474098
  H      -3.307537     -8.648001      2.739528
  H      -2.100377     -8.041876      3.884375
  H      -2.963619     -5.255360     -0.125164
  H      -4.639576     -4.888447      0.334800
  H      -3.457147     -7.393294      0.689921
  H      -4.778466     -6.804171      1.731907
  C      -2.467374     -3.181959      1.346278
  C      -2.113054     -2.835463      0.015492
  C      -1.477593     -1.635679     -0.231412
  C      -1.210345     -0.723495      0.816230
  C      -1.529864     -1.045605      2.118188
  C      -2.108419     -2.301056      2.413374
  N      -2.503147     -2.712688      3.662823
  C      -2.004062     -2.130054      4.769519
  C      -0.681981     -1.665357      5.053038
  O      -0.321906     -1.018640      6.009824
  Cl      0.664597     -2.350727      3.944716
  C      -6.012694     -6.042335      4.639684
  C      -6.835314     -6.956791      5.333187
  C      -8.128123     -6.599127      5.678711
  C      -8.618979     -5.327001      5.345017
  C      -7.822407     -4.403658      4.680875
  C      -6.500971     -4.743163      4.315332
  N      -5.584267     -3.933888      3.624644
  C      -6.067605     -2.671628      3.367615
  C      -5.592635     -1.763398      2.369156
  O      -4.820696     -1.831582      1.453100
  Cl     -6.699339     -0.219261      2.476823
  C      -1.266948     -4.960528      5.599890
  C       0.046569     -5.089831      6.127775
  C       0.296975     -4.711018      7.430776
  C      -0.735729     -4.181188      8.246221
  C      -2.021310     -4.056447      7.763594
  C      -2.316016     -4.459600      6.439066
  N      -3.535671     -4.362807      5.839538
  C      -4.682908     -4.204675      6.576787
  C      -4.964582     -4.989464      7.720134
  O      -4.375432     -5.909031      8.251611
  Cl     -6.601120     -4.441073      8.460673
  H      -2.378185     -3.485741     -0.816340
  H      -1.221586     -1.367603     -1.257722
  H      -0.775743      0.250267      0.590215
  H      -1.366505     -0.331058      2.923774
  H      -2.646641     -2.112065      5.648375
  H      -6.445596     -7.928747      5.631489
  H      -8.750869     -7.302911      6.231610
  H      -9.636161     -5.045118      5.621263
  H      -8.241228     -3.428515      4.438811
  H      -6.759811     -2.224412      4.079211
  H       0.859636     -5.442486      5.495202
  H       1.312323     -4.783552      7.825885
  H      -0.502981     -3.840609      9.256229
  H      -2.813729     -3.621206      8.371646
  H      -5.463921     -3.563468      6.184973
  N      -7.714008     -4.108714      1.345671
  N      -7.615995     -3.075191      1.841710
  H      -8.148170     -2.170582      1.705655
74
Coordinates from ORCA-job orca E -7353.199456924113
  N      -3.180126     -4.263782      1.727391
  C      -3.652826     -5.211862      0.726423
  C      -3.754880     -6.593522      1.384601
  N      -2.880249     -6.588666      2.581351
  C      -3.059080     -7.813887      3.409502
  C      -4.146127     -7.589988      4.464718
  N      -4.736860     -6.282521      4.235227
  Mo     -3.552004     -4.729033      3.710289
  N      -1.657674     -5.271310      4.347709
  C      -0.692388     -5.886537      3.444459
  C      -1.443735     -6.422900      2.226025
  H      -0.163287     -6.694282      3.977287
  H       0.068118     -5.155209      3.124563
  H      -1.038337     -7.391870      1.892983
  H      -1.368602     -5.722368      1.391197
  H      -4.906403     -8.382085      4.406478
  H      -3.711345     -7.622916      5.477014
  H      -3.308294     -8.650346      2.739674
  H      -2.101253     -8.046297      3.887359
  H      -2.956501     -5.254257     -0.124109
  H      -4.634393     -4.895422      0.334445
  H      -3.448771     -7.394873      0.690988
  H      -4.773502     -6.802500      1.730428
  C      -2.473350     -3.178613      1.345812
  C      -2.123861     -2.828361      0.015366
  C      -1.492430     -1.625494     -0.231718
  C      -1.226642     -0.713890      0.816396
  C      -1.542153     -1.040100      2.118561
  C      -2.114167     -2.298771      2.413348
  N      -2.497272     -2.715581      3.663799
  C      -1.993845     -2.131909      4.767441
  C      -0.673114     -1.655739      5.041188
  O      -0.312120     -1.002481      5.993271
  Cl      0.670148     -2.315487      3.910809
  C      -6.014384     -6.041978      4.644474
  C      -6.840213     -6.953283      5.338878
  C      -8.132389     -6.591687      5.683138
  C      -8.620732     -5.319534      5.345972
  C      -7.820894     -4.402735      4.677098
  C      -6.499523     -4.742440      4.315458
  N      -5.581526     -3.935383      3.625857
  C      -6.062847     -2.673165      3.364874
  C      -5.586134     -1.767546      2.365465
  O      -4.814438     -1.836494      1.450216
  Cl     -6.687462     -0.218791      2.473394
  C      -1.264965     -4.963033      5.602626
  C       0.047168     -5.097153      6.132473
  C       0.295881     -4.722075      7.435852
  C      -0.736898     -4.191707      8.251374
  C      -2.020895     -4.063828      7.768203
  C      -2.314621     -4.463376      6.442405
  N      -3.533135     -4.363564      5.842700
  C      -4.680003     -4.201692      6.579159
  C      -4.968451     -4.989423      7.717736
  O      -4.390930     -5.921933      8.239185
  Cl     -6.608986     -4.440641      8.451888
  H      -2.389060     -3.477982     -0.817052
  H      -1.238693     -1.354975     -1.258022
  H      -0.795977      0.262024      0.590892
  H      -1.379860     -0.326108      2.924965
  H      -2.630447     -2.115823      5.650632
  H      -6.452776     -7.925719      5.638629
  H      -8.759230     -7.291562      6.236512
  H      -9.636523     -5.034820      5.623511
  H      -8.237704     -3.427797      4.433205
  H      -6.756784     -2.225722      4.075157
  H       0.859940     -5.451128      5.500340
  H       1.309294     -4.798089      7.833242
  H      -0.504055     -3.854404      9.262136
  H      -2.813125     -3.630416      8.377489
  H      -5.456332     -3.552715      6.190667
  N      -7.708586     -4.115799      1.337356
  N      -7.611660     -3.080264      1.833378
  H      -8.145257     -2.176424      1.694476
74
Coordinates from ORCA-job orca E -7353.199630460901
  N      -3.183661     -4.267694      1.727862
  C      -3.653692     -5.216534      0.727506
  C      -3.747939     -6.599161      1.385975
  N      -2.875777     -6.589643      2.584266
  C      -3.050358     -7.811972      3.416733
  C      -4.162537     -7.599999      4.449830
  N      -4.741805     -6.284966      4.231130
  Mo     -3.552806     -4.731383      3.711324
  N      -1.655887     -5.267851      4.347929
  C      -0.688745     -5.876469      3.442602
  C      -1.440134     -6.421736      2.227264
  H      -0.150476     -6.679521      3.973333
  H       0.064198     -5.139016      3.118905
  H      -1.032835     -7.391578      1.899288
  H      -1.367676     -5.726060      1.388000
  H      -4.928478     -8.383988      4.357853
  H      -3.752378     -7.655772      5.471538
  H      -3.270059     -8.658107      2.748149
  H      -2.097653     -8.021381      3.915404
  H      -2.959017     -5.255650     -0.124638
  H      -4.637837     -4.906642      0.338566
  H      -3.435525     -7.399292      0.693559
  H      -4.766910     -6.812597      1.729649
  C      -2.476306     -3.182534      1.344470
  C      -2.125988     -2.832778      0.014660
  C      -1.491013     -1.630992     -0.232523
  C      -1.223588     -0.720146      0.815542
  C      -1.540542     -1.046204      2.117607
  C      -2.115121     -2.303756      2.412255
  N      -2.496247     -2.719900      3.662747
  C      -1.993496     -2.133556      4.764878
  C      -0.675118     -1.648666      5.034616
  O      -0.315686     -0.991201      5.984552
  Cl      0.666999     -2.287937      3.889336
  C      -6.020499     -6.042642      4.641375
  C      -6.849898     -6.953493      5.332008
  C      -8.140376     -6.587920      5.679113
  C      -8.624287     -5.312895      5.346986
  C      -7.820926     -4.399653      4.677557
  C      -6.501146     -4.740651      4.314792
  N      -5.581270     -3.934414      3.628038
  C      -6.059719     -2.670328      3.369961
  C      -5.585672     -1.764360      2.370078
  O      -4.818341     -1.832027      1.451980
  Cl     -6.681803     -0.212524      2.486523
  C      -1.263726     -4.958576      5.601945
  C       0.048833     -5.089543      6.131519
  C       0.295776     -4.717586      7.435399
  C      -0.738797     -4.193354      8.252962
  C      -2.022652     -4.068638      7.770767
  C      -2.315126     -4.465077      6.443738
  N      -3.533870     -4.367744      5.845283
  C      -4.679937     -4.209365      6.583137
  C      -4.966577     -5.000579      7.718877
  O      -4.381934     -5.927304      8.242526
  Cl     -6.589185     -4.431131      8.478934
  H      -2.392750     -3.481664     -0.817904
  H      -1.235443     -1.361051     -1.258555
  H      -0.790427      0.254880      0.590279
  H      -1.377200     -0.332359      2.924070
  H      -2.628404     -2.118977      5.649400
  H      -6.466430     -7.929074      5.626895
  H      -8.770633     -7.286981      6.229633
  H      -9.637539     -5.024246      5.628980
  H      -8.234477     -3.422584      4.438047
  H      -6.752168     -2.224044      4.082722
  H       0.862742     -5.439609      5.498737
  H       1.308783     -4.791929      7.832921
  H      -0.506746     -3.858309      9.264465
  H      -2.816342     -3.641115      8.382186
  H      -5.456502     -3.557368      6.199771
  N      -7.703800     -4.112621      1.336870
  N      -7.610710     -3.076507      1.834970
  H      -8.147262     -2.173995      1.699059
74
Coordinates from ORCA-job orca E -7353.199913290963
  N      -3.187707     -4.271720      1.729403
  C      -3.657693     -5.222107      0.731167
  C      -3.741545     -6.605714      1.390830
  N      -2.870259     -6.588504      2.589133
  C      -3.036108     -7.805123      3.429606
  C      -4.188212     -7.613738      4.423689
  N      -4.747448     -6.286459      4.224316
  Mo     -3.552723     -4.732611      3.712430
  N      -1.653650     -5.260603      4.348397
  C      -0.684175     -5.861272      3.440348
  C      -1.435836     -6.417891      2.229250
  H      -0.134650     -6.657732      3.969279
  H       0.059253     -5.116297      3.111985
  H      -1.026090     -7.388761      1.907466
  H      -1.367176     -5.728146      1.384627
  H      -4.961547     -8.382661      4.276523
  H      -3.819360     -7.709474      5.458403
  H      -3.205745     -8.667129      2.766067
  H      -2.093796     -7.974670      3.962154
  H      -2.966714     -5.258050     -0.124191
  H      -4.645324     -4.918556      0.347279
  H      -3.422322     -7.404567      0.699856
  H      -4.759842     -6.825259      1.733574
  C      -2.478299     -3.188100      1.342917
  C      -2.127444     -2.840599      0.013213
  C      -1.487750     -1.640973     -0.235304
  C      -1.216787     -0.730380      0.811876
  C      -1.534808     -1.054499      2.114355
  C      -2.113666     -2.309836      2.410227
  N      -2.493660     -2.723930      3.661179
  C      -1.990191     -2.137073      4.762520
  C      -0.672135     -1.651085      5.030351
  O      -0.311888     -0.992143      5.979134
  Cl      0.666763     -2.279087      3.873646
  C      -6.025659     -6.040414      4.639072
  C      -6.857453     -6.950139      5.327627
  C      -8.144572     -6.578767      5.682480
  C      -8.623433     -5.300141      5.357476
  C      -7.817546     -4.390914      4.685307
  C      -6.501094     -4.735203      4.317334
  N      -5.580065     -3.931452      3.631071
  C      -6.053550     -2.664232      3.378628
  C      -5.588615     -1.762734      2.371183
  O      -4.833205     -1.833280      1.444084
  Cl     -6.677967     -0.206339      2.497332
  C      -1.261870     -4.948331      5.601254
  C       0.051880     -5.072236      6.129651
  C       0.297154     -4.702450      7.433917
  C      -0.740048     -4.187173      8.254068
  C      -2.024417     -4.068682      7.773393
  C      -2.315613     -4.462454      6.445217
  N      -3.535135     -4.370294      5.848556
  C      -4.681429     -4.220770      6.587336
  C      -4.966073     -5.021021      7.716552
  O      -4.382729     -5.955285      8.227841
  Cl     -6.602759     -4.476625      8.466911
  H      -2.397429     -3.489010     -0.818786
  H      -1.231073     -1.372721     -1.261519
  H      -0.780039      0.242996      0.585863
  H      -1.369002     -0.340163      2.919932
  H      -2.623959     -2.123334      5.648079
  H      -6.479080     -7.929799      5.615672
  H      -8.776540     -7.277062      6.231990
  H      -9.632896     -5.006073      5.646677
  H      -8.227603     -3.411237      4.451053
  H      -6.740620     -2.216885      4.096165
  H       0.867544     -5.416225      5.495848
  H       1.310504     -4.772707      7.830414
  H      -0.509555     -3.853736      9.266323
  H      -2.820221     -3.648662      8.387210
  H      -5.461630     -3.570968      6.206847
  N      -7.705417     -4.107610      1.345713
  N      -7.613172     -3.069521      1.840962
  H      -8.147617     -2.165637      1.705778
74
Coordinates from ORCA-job orca E -7353.200253158854
  N      -3.190591     -4.275480      1.731801
  C      -3.661878     -5.227768      0.736357
  C      -3.736334     -6.612067      1.397538
  N      -2.865068     -6.587176      2.595204
  C      -3.023010     -7.797611      3.443736
  C      -4.213199     -7.627115      4.395703
  N      -4.751095     -6.287535      4.217497
  Mo     -3.551107     -4.733215      3.714294
  N      -1.650491     -5.253892      4.349801
  C      -0.679465     -5.849160      3.439909
  C      -1.431523     -6.415417      2.232854
  H      -0.121614     -6.640236      3.967969
  H       0.056831     -5.098912      3.107600
  H      -1.020414     -7.387700      1.917071
  H      -1.365687     -5.731369      1.383295
  H      -4.991742     -8.378035      4.191199
  H      -3.887544     -7.765508      5.440354
  H      -3.143192     -8.673953      2.787511
  H      -2.094013     -7.927787      4.009485
  H      -2.975332     -5.261539     -0.122694
  H      -4.652929     -4.928911      0.358116
  H      -3.412106     -7.410329      0.708188
  H      -4.753725     -6.835870      1.740822
  C      -2.481568     -3.192395      1.341562
  C      -2.133586     -2.846456      0.011198
  C      -1.494443     -1.646849     -0.240072
  C      -1.221911     -0.734944      0.805442
  C      -1.537348     -1.057723      2.108997
  C      -2.114705     -2.313187      2.407692
  N      -2.490133     -2.726766      3.660043
  C      -1.985438     -2.140378      4.761128
  C      -0.666840     -1.656220      5.029145
  O      -0.305951     -0.997835      5.978094
  Cl      0.671560     -2.286043      3.871854
  C      -6.028694     -6.038196      4.635003
  C      -6.862443     -6.947667      5.320340
  C      -8.147074     -6.572080      5.680699
  C      -8.621941     -5.290514      5.361873
  C      -7.813869     -4.383099      4.689446
  C      -6.499741     -4.730017      4.318452
  N      -5.577302     -3.928548      3.633781
  C      -6.044578     -2.658287      3.386452
  C      -5.586534     -1.764065      2.370120
  O      -4.842702     -1.840402      1.434267
  Cl     -6.668787     -0.201525      2.501200
  C      -1.259097     -4.940166      5.602073
  C       0.055549     -5.059036      6.129687
  C       0.299392     -4.692313      7.434757
  C      -0.740057     -4.185006      8.257248
  C      -2.024785     -4.070568      7.777424
  C      -2.314614     -4.460310      6.447644
  N      -3.534335     -4.370995      5.852146
  C      -4.680637     -4.227011      6.591506
  C      -4.962779     -5.032088      7.717537
  O      -4.379646     -5.970724      8.220805
  Cl     -6.609481     -4.505750      8.460482
  H      -2.406137     -3.495433     -0.819653
  H      -1.239953     -1.379522     -1.267080
  H      -0.786066      0.238437      0.577505
  H      -1.370916     -0.341795      2.912935
  H      -2.618560     -2.127456      5.647359
  H      -6.487899     -7.930437      5.602456
  H      -8.780417     -7.270223      6.228780
  H      -9.629144     -4.993175      5.655092
  H      -8.221288     -3.401490      4.458791
  H      -6.725932     -2.208115      4.107851
  H       0.872710     -5.397432      5.494829
  H       1.313036     -4.759696      7.830522
  H      -0.511050     -3.854218      9.270636
  H      -2.822369     -3.657014      8.393414
  H      -5.463374     -3.578778      6.213077
  N      -7.706616     -4.102618      1.354404
  N      -7.613235     -3.062641      1.845304
  H      -8.143580     -2.156686      1.708356
74
Coordinates from ORCA-job orca E -7353.200609424872
  N      -3.192242     -4.278695      1.734918
  C      -3.668772     -5.233170      0.743696
  C      -3.735469     -6.617731      1.406687
  N      -2.862128     -6.585142      2.602654
  C      -3.014756     -7.788933      3.458775
  C      -4.238686     -7.639077      4.364816
  N      -4.752698     -6.286818      4.210371
  Mo     -3.548350     -4.732158      3.717350
  N      -1.646299     -5.247078      4.351668
  C      -0.675413     -5.840838      3.440752
  C      -1.428843     -6.414713      2.238385
  H      -0.113148     -6.628280      3.969265
  H       0.057157     -5.088737      3.104590
  H      -1.018172     -7.389255      1.928802
  H      -1.364821     -5.736504      1.384037
  H      -5.019588     -8.368667      4.100307
  H      -3.957057     -7.822550      5.415357
  H      -3.089740     -8.677156      2.811482
  H      -2.101955     -7.883141      4.056323
  H      -2.989624     -5.266549     -0.121092
  H      -4.664190     -4.936366      0.373853
  H      -3.409697     -7.416449      0.719139
  H      -4.751169     -6.842288      1.753693
  C      -2.482962     -3.197448      1.340528
  C      -2.139370     -2.854496      0.008627
  C      -1.504700     -1.654118     -0.247492
  C      -1.232162     -0.738449      0.794843
  C      -1.542735     -1.058428      2.100181
  C      -2.114924     -2.315063      2.404168
  N      -2.486503     -2.726730      3.658816
  C      -1.983825     -2.139680      4.760662
  C      -0.664928     -1.658330      5.033750
  O      -0.306107     -1.005968      5.987139
  Cl      0.680107     -2.314852      3.900057
  C      -6.028524     -6.035266      4.628329
  C      -6.862532     -6.947666      5.307340
  C      -8.146249     -6.571786      5.670217
  C      -8.619675     -5.287984      5.357827
  C      -7.810942     -4.376637      4.690932
  C      -6.496995     -4.724431      4.319676
  N      -5.573694     -3.923980      3.638322
  C      -6.034261     -2.651005      3.396408
  C      -5.579317     -1.765750      2.372046
  O      -4.846206     -1.850500      1.427774
  Cl     -6.655344     -0.195051      2.504129
  C      -1.254195     -4.932293      5.603560
  C       0.061954     -5.046283      6.129624
  C       0.305685     -4.681898      7.435535
  C      -0.735543     -4.181609      8.260446
  C      -2.021423     -4.070429      7.781613
  C      -2.310568     -4.456422      6.450276
  N      -3.530300     -4.369101      5.855238
  C      -4.677768     -4.229591      6.593728
  C      -4.956583     -5.036857      7.719469
  O      -4.370930     -5.975247      8.220385
  Cl     -6.612455     -4.527777      8.454317
  H      -2.413644     -3.505585     -0.820095
  H      -1.254693     -1.388469     -1.276000
  H      -0.800518      0.235696      0.562952
  H      -1.377331     -0.339178      2.901126
  H      -2.618895     -2.126656      5.645531
  H      -6.488216     -7.932200      5.582729
  H      -8.780533     -7.271457      6.215247
  H      -9.628040     -4.993012      5.649567
  H      -8.217596     -3.393808      4.462358
  H      -6.708923     -2.196704      4.121429
  H       0.879933     -5.379071      5.492803
  H       1.320265     -4.745522      7.830466
  H      -0.506853     -3.853448      9.274901
  H      -2.819928     -3.661415      8.399670
  H      -5.462978     -3.584293      6.215589
  N      -7.709292     -4.094367      1.367039
  N      -7.613249     -3.053950      1.853558
  H      -8.140407     -2.147180      1.713049
74
Coordinates from ORCA-job orca E -7353.200910230664
  N      -3.195143     -4.284600      1.737306
  C      -3.672693     -5.241542      0.748918
  C      -3.730346     -6.627051      1.413157
  N      -2.857223     -6.585939      2.608730
  C      -3.002155     -7.782149      3.474869
  C      -4.261358     -7.651798      4.335591
  N      -4.757679     -6.289602      4.203500
  Mo     -3.547838     -4.735090      3.719474
  N      -1.643652     -5.243029      4.352678
  C      -0.671084     -5.829491      3.438856
  C      -1.424973     -6.413700      2.241058
  H      -0.098918     -6.610528      3.966122
  H       0.052877     -5.071115      3.098302
  H      -1.012319     -7.389325      1.937646
  H      -1.364658     -5.741484      1.381619
  H      -5.040459     -8.362219      4.017004
  H      -4.023778     -7.874962      5.389364
  H      -3.027216     -8.682909      2.840726
  H      -2.107487     -7.837005      4.104103
  H      -2.997914     -5.272135     -0.119337
  H      -4.671107     -4.948480      0.384552
  H      -3.398880     -7.424719      0.727059
  H      -4.744897     -6.857279      1.759492
  C      -2.485939     -3.203852      1.340089
  C      -2.143426     -2.862557      0.007604
  C      -1.508004     -1.662720     -0.250502
  C      -1.233907     -0.746116      0.790512
  C      -1.543418     -1.064567      2.096533
  C      -2.116068     -2.320497      2.402440
  N      -2.485652     -2.730742      3.657771
  C      -1.984456     -2.141031      4.758710
  C      -0.667745     -1.653387      5.030531
  O      -0.311766     -0.994820      5.980821
  Cl      0.677991     -2.291222      3.886432
  C      -6.033522     -6.034209      4.623589
  C      -6.871714     -6.946708      5.297314
  C      -8.153048     -6.566003      5.664789
  C      -8.620257     -5.277949      5.360737
  C      -7.807947     -4.367819      4.696318
  C      -6.496463     -4.719573      4.321406
  N      -5.570900     -3.921096      3.641722
  C      -6.025126     -2.644691      3.404856
  C      -5.574770     -1.764357      2.374511
  O      -4.850355     -1.854060      1.424088
  Cl     -6.641641     -0.187346      2.512313
  C      -1.251576     -4.926994      5.603999
  C       0.065604     -5.035428      6.128651
  C       0.308615     -4.672708      7.434954
  C      -0.734222     -4.179269      8.261992
  C      -2.020751     -4.072916      7.784576
  C      -2.309367     -4.457224      6.452629
  N      -3.529777     -4.373159      5.858823
  C      -4.677101     -4.239900      6.598342
  C      -4.953426     -5.053109      7.720227
  O      -4.365310     -5.992646      8.215885
  Cl     -6.610699     -4.551903      8.457982
  H      -2.419064     -3.514305     -0.820127
  H      -1.258572     -1.398393     -1.279491
  H      -0.801712      0.227509      0.557228
  H      -1.376636     -0.344394      2.896440
  H      -2.619264     -2.129771      5.643810
  H      -6.502750     -7.935343      5.565535
  H      -8.790128     -7.265778      6.206416
  H      -9.626228     -4.978868      5.656364
  H      -8.210292     -3.382046      4.473125
  H      -6.694181     -2.187727      4.133424
  H       0.884719     -5.362922      5.490599
  H       1.323762     -4.732663      7.828632
  H      -0.506397     -3.852275      9.276966
  H      -2.820537     -3.669094      8.404315
  H      -5.464584     -3.595536      6.223186
  N      -7.707363     -4.084961      1.376158
  N      -7.610754     -3.043563      1.860944
  H      -8.135514     -2.135180      1.721259
74
Coordinates from ORCA-job orca E -7353.201085998973
  N      -3.191343     -4.293009      1.741826
  C      -3.673527     -5.252816      0.756260
  C      -3.731194     -6.638750      1.418959
  N      -2.855017     -6.594470      2.613660
  C      -3.001575     -7.784776      3.487139
  C      -4.285149     -7.667846      4.304020
  N      -4.762169     -6.294072      4.205109
  Mo     -3.545512     -4.742988      3.726200
  N      -1.638451     -5.250623      4.356260
  C      -0.667526     -5.838614      3.440882
  C      -1.422385     -6.423035      2.245073
  H      -0.096045     -6.618835      3.970520
  H       0.057229     -5.082023      3.098405
  H      -1.010292     -7.399331      1.943307
  H      -1.362732     -5.751874      1.384868
  H      -5.060971     -8.359284      3.936587
  H      -4.086151     -7.928288      5.355260
  H      -2.993336     -8.692424      2.863717
  H      -2.124178     -7.817566      4.143180
  H      -3.005799     -5.281864     -0.116820
  H      -4.674048     -4.956266      0.398900
  H      -3.401745     -7.435796      0.732014
  H      -4.743859     -6.868251      1.766384
  C      -2.485083     -3.211278      1.345309
  C      -2.142423     -2.871104      0.010764
  C      -1.515091     -1.668499     -0.249464
  C      -1.247065     -0.747310      0.789510
  C      -1.554439     -1.064220      2.095875
  C      -2.120694     -2.322167      2.403721
  N      -2.492680     -2.730606      3.658789
  C      -2.002043     -2.129469      4.757364
  C      -0.695022     -1.613086      5.026352
  O      -0.355334     -0.926430      5.962207
  Cl      0.659065     -2.197142      3.867154
  C      -6.037413     -6.034656      4.619109
  C      -6.885114     -6.953974      5.275397
  C      -8.168255     -6.573709      5.635538
  C      -8.626796     -5.279373      5.343223
  C      -7.808715     -4.360045      4.699931
  C      -6.494845     -4.717034      4.328156
  N      -5.565700     -3.918380      3.650428
  C      -6.012090     -2.638444      3.414691
  C      -5.554541     -1.766552      2.380726
  O      -4.829913     -1.869904      1.430940
  Cl     -6.604575     -0.175747      2.513447
  C      -1.244035     -4.935739      5.608201
  C       0.074410     -5.042633      6.129685
  C       0.320845     -4.676268      7.435472
  C      -0.720364     -4.180201      8.262503
  C      -2.008734     -4.074676      7.786779
  C      -2.299746     -4.464067      6.457094
  N      -3.521057     -4.379448      5.862250
  C      -4.669468     -4.247812      6.601082
  C      -4.942908     -5.061466      7.725290
  O      -4.339298     -5.981297      8.238992
  Cl     -6.563787     -4.518057      8.506525
  H      -2.410529     -3.526855     -0.815589
  H      -1.266676     -1.405839     -1.279041
  H      -0.820614      0.228044      0.553899
  H      -1.390081     -0.342520      2.895321
  H      -2.637844     -2.122812      5.640983
  H      -6.519288     -7.947170      5.533169
  H      -8.812817     -7.276086      6.164941
  H      -9.637196     -4.983822      5.629156
  H      -8.204987     -3.370788      4.480101
  H      -6.675765     -2.174384      4.142572
  H       0.891523     -5.369923      5.488981
  H       1.337423     -4.732439      7.828013
  H      -0.489645     -3.851158      9.276490
  H      -2.806624     -3.666355      8.405700
  H      -5.454924     -3.600275      6.229401
  N      -7.708122     -4.065446      1.390995
  N      -7.602295     -3.025531      1.875632
  H      -8.123391     -2.115086      1.730744
74
Coordinates from ORCA-job orca E -7353.201568754431
  N      -3.195483     -4.298290      1.743172
  C      -3.678031     -5.260126      0.760638
  C      -3.725072     -6.646846      1.424891
  N      -2.850928     -6.593856      2.620506
  C      -2.994509     -7.775953      3.503350
  C      -4.306322     -7.676191      4.274617
  N      -4.766994     -6.294987      4.197591
  Mo     -3.546195     -4.743943      3.727930
  N      -1.635441     -5.240519      4.355841
  C      -0.663249     -5.822830      3.438847
  C      -1.418832     -6.422068      2.250013
  H      -0.081023     -6.594995      3.968227
  H       0.052106     -5.060525      3.089271
  H      -1.004835     -7.400534      1.957908
  H      -1.362211     -5.760148      1.382494
  H      -5.075841     -8.345230      3.855506
  H      -4.148761     -7.975155      5.323587
  H      -2.941613     -8.693708      2.896087
  H      -2.139511     -7.772409      4.188221
  H      -3.015280     -5.285913     -0.116393
  H      -4.682392     -4.969229      0.409654
  H      -3.388382     -7.442650      0.739971
  H      -4.737111     -6.882708      1.771091
  C      -2.487539     -3.218722      1.343105
  C      -2.144273     -2.882677      0.008356
  C      -1.514327     -1.681880     -0.254981
  C      -1.244799     -0.758586      0.781678
  C      -1.553000     -1.071828      2.088881
  C      -2.121059     -2.328253      2.400205
  N      -2.491915     -2.733743      3.656585
  C      -2.000670     -2.132785      4.754932
  C      -0.693262     -1.617322      5.023866
  O      -0.349586     -0.951287      5.973038
  Cl      0.663819     -2.231467      3.883506
  C      -6.042134     -6.033300      4.613462
  C      -6.892322     -6.954039      5.262622
  C      -8.172950     -6.570593      5.628959
  C      -8.626850     -5.272232      5.347129
  C      -7.806157     -4.353310      4.706187
  C      -6.494790     -4.711866      4.330098
  N      -5.564668     -3.913939      3.655232
  C      -6.006997     -2.631634      3.425971
  C      -5.553952     -1.759783      2.390540
  O      -4.837776     -1.863478      1.434658
  Cl     -6.597106     -0.165129      2.534272
  C      -1.240552     -4.920979      5.605932
  C       0.079397     -5.019076      6.125630
  C       0.324661     -4.653139      7.431342
  C      -0.718954     -4.165937      8.260861
  C      -2.008423     -4.068526      7.787133
  C      -2.298237     -4.456998      6.456909
  N      -3.520600     -4.380088      5.864365
  C      -4.668512     -4.256389      6.604950
  C      -4.937345     -5.076480      7.725008
  O      -4.335053     -6.004443      8.225464
  Cl     -6.576591     -4.565125      8.491288
  H      -2.414116     -3.540008     -0.816525
  H      -1.265003     -1.422214     -1.285138
  H      -0.816886      0.215629      0.543578
  H      -1.388498     -0.347778      2.885911
  H      -2.635087     -2.128810      5.639947
  H      -6.530432     -7.951013      5.510330
  H      -8.820261     -7.273974      6.153669
  H      -9.634699     -4.974247      5.638840
  H      -8.198821     -3.360990      4.493902
  H      -6.665809     -2.167810      4.159064
  H       0.898007     -5.340238      5.483700
  H       1.341722     -4.703478      7.822679
  H      -0.489135     -3.837311      9.275067
  H      -2.808555     -3.668092      8.408516
  H      -5.458344     -3.612066      6.236259
  N      -7.705892     -4.054752      1.401422
  N      -7.603241     -3.015026      1.887664
  H      -8.127055     -2.106011      1.747130
74
Coordinates from ORCA-job orca E -7353.201850087205
  N      -3.195768     -4.305869      1.744819
  C      -3.678742     -5.269717      0.764717
  C      -3.718217     -6.656651      1.429409
  N      -2.846791     -6.597662      2.626694
  C      -2.993067     -7.771691      3.518434
  C      -4.329422     -7.685724      4.242562
  N      -4.772522     -6.296954      4.193618
  Mo     -3.546069     -4.747790      3.730944
  N      -1.631174     -5.234739      4.355967
  C      -0.658701     -5.815325      3.438666
  C      -1.414689     -6.426989      2.256237
  H      -0.069229     -6.580653      3.969757
  H       0.050135     -5.050160      3.082034
  H      -0.999840     -7.407736      1.973148
  H      -1.359151     -5.773197      1.382482
  H      -5.090667     -8.329377      3.771400
  H      -4.213934     -8.025428      5.285127
  H      -2.899766     -8.698077      2.928755
  H      -2.163083     -7.735846      4.232215
  H      -3.020668     -5.292596     -0.115881
  H      -4.686148     -4.982743      0.419283
  H      -3.375527     -7.450727      0.745509
  H      -4.729949     -6.898048      1.772667
  C      -2.487271     -3.227881      1.342441
  C      -2.142717     -2.895885      0.007036
  C      -1.514575     -1.694959     -0.259684
  C      -1.249014     -0.767101      0.773941
  C      -1.558139     -1.076571      2.081781
  C      -2.122127     -2.333925      2.397287
  N      -2.493797     -2.736318      3.654716
  C      -2.007133     -2.132332      4.753179
  C      -0.700430     -1.617102      5.028122
  O      -0.364460     -0.940742      5.972682
  Cl      0.665251     -2.243893      3.905314
  C      -6.047412     -6.031990      4.608810
  C      -6.903279     -6.955315      5.246048
  C      -8.181728     -6.568623      5.616412
  C      -8.628110     -5.264675      5.348206
  C      -7.802889     -4.344656      4.714913
  C      -6.493726     -4.706703      4.334850
  N      -5.561913     -3.909505      3.661980
  C      -5.999335     -2.624804      3.438365
  C      -5.547504     -1.753026      2.402461
  O      -4.837047     -1.859416      1.442667
  Cl     -6.579296     -0.152675      2.555527
  C      -1.235040     -4.909973      5.604170
  C       0.086459     -4.999292      6.121381
  C       0.331530     -4.631560      7.426562
  C      -0.713797     -4.151438      8.258046
  C      -2.004726     -4.062241      7.786593
  C      -2.293825     -4.451806      6.456703
  N      -3.517370     -4.382040      5.865816
  C      -4.664956     -4.267329      6.608254
  C      -4.928056     -5.095162      7.723702
  O      -4.320858     -6.024270      8.216047
  Cl     -6.574126     -4.603998      8.488569
  H      -2.410566     -3.556388     -0.816081
  H      -1.264522     -1.438386     -1.290462
  H      -0.823977      0.207617      0.532726
  H      -1.397993     -0.348601      2.875920
  H      -2.645321     -2.126147      5.635459
  H      -6.546844     -7.957289      5.480761
  H      -8.834037     -7.273543      6.132752
  H      -9.634051     -4.964242      5.643863
  H      -8.189603     -3.348211      4.511358
  H      -6.653572     -2.160130      4.175319
  H       0.905827     -5.315727      5.478037
  H       1.349330     -4.675445      7.816516
  H      -0.484084     -3.821637      9.271854
  H      -2.806626     -3.667630      8.409576
  H      -5.458874     -3.625510      6.243673
  N      -7.703890     -4.038403      1.414305
  N      -7.600912     -2.999781      1.903269
  H      -8.126413     -2.091678      1.765906
74
Coordinates from ORCA-job orca E -7353.202044097155
  N      -3.194573     -4.313845      1.746623
  C      -3.675999     -5.280309      0.768105
  C      -3.709309     -6.667087      1.432581
  N      -2.841932     -6.604256      2.632457
  C      -2.994309     -7.770301      3.533039
  C      -4.351463     -7.695043      4.211933
  N      -4.778630     -6.300106      4.193434
  Mo     -3.546251     -4.753467      3.734846
  N      -1.626667     -5.230338      4.356297
  C      -0.654116     -5.812541      3.440425
  C      -1.409733     -6.435080      2.263679
  H      -0.060167     -6.571817      3.975126
  H       0.050413     -5.046649      3.076811
  H      -0.994323     -7.417936      1.988945
  H      -1.353944     -5.788391      1.384560
  H      -5.102515     -8.313059      3.691942
  H      -4.275836     -8.073699      5.244795
  H      -2.865035     -8.704352      2.962234
  H      -2.190104     -7.704842      4.274169
  H      -3.021103     -5.300056     -0.114853
  H      -4.685666     -4.997727      0.426090
  H      -3.360115     -7.458555      0.748862
  H      -4.721120     -6.914858      1.770450
  C      -2.487997     -3.235666      1.342708
  C      -2.141245     -2.906552      0.006753
  C      -1.514825     -1.705260     -0.262086
  C      -1.252693     -0.773905      0.769395
  C      -1.563997     -1.080187      2.077352
  C      -2.126668     -2.337537      2.395223
  N      -2.500036     -2.736948      3.652901
  C      -2.015531     -2.128363      4.749144
  C      -0.712155     -1.601200      5.018963
  O      -0.377646     -0.930504      5.968044
  Cl      0.654982     -2.224796      3.897451
  C      -6.053763     -6.031821      4.606078
  C      -6.917511     -6.958028      5.228680
  C      -8.194144     -6.568130      5.601428
  C      -8.631148     -5.257799      5.348999
  C      -7.799954     -4.336542      4.726040
  C      -6.493101     -4.703012      4.341753
  N      -5.559394     -3.906354      3.669765
  C      -5.991961     -2.619643      3.450843
  C      -5.539407     -1.747599      2.414904
  O      -4.832821     -1.858290      1.452630
  Cl     -6.555970     -0.140839      2.576205
  C      -1.229535     -4.900684      5.603072
  C       0.092732     -4.983635      6.118839
  C       0.337328     -4.613530      7.423541
  C      -0.709196     -4.137348      8.255510
  C      -2.001042     -4.054256      7.785183
  C      -2.289017     -4.446058      6.456037
  N      -3.513683     -4.383397      5.866460
  C      -4.660337     -4.277364      6.611805
  C      -4.917331     -5.114444      7.721509
  O      -4.304509     -6.044771      8.204579
  Cl     -6.564314     -4.637642      8.492743
  H      -2.405241     -3.570154     -0.815087
  H      -1.262814     -1.451497     -1.293101
  H      -0.828912      0.200850      0.526112
  H      -1.406677     -0.349793      2.869846
  H      -2.651212     -2.126210      5.633351
  H      -6.567990     -7.965660      5.449089
  H      -8.852703     -7.275029      6.106940
  H      -9.635010     -4.954148      5.648497
  H      -8.179229     -3.335362      4.532504
  H      -6.642449     -2.153583      4.190351
  H       0.912612     -5.297700      5.475024
  H       1.355474     -4.652750      7.812913
  H      -0.479864     -3.805953      9.268863
  H      -2.804755     -3.663803      8.408584
  H      -5.457215     -3.635575      6.253630
  N      -7.703850     -4.020462      1.428019
  N      -7.598116     -2.983351      1.920402
  H      -8.124195     -2.075443      1.785272
74
Coordinates from ORCA-job orca E -7353.202119129000
  N      -3.187826     -4.322535      1.745862
  C      -3.665755     -5.290315      0.766588
  C      -3.698256     -6.676013      1.429914
  N      -2.838081     -6.615387      2.634403
  C      -3.004284     -7.777025      3.538953
  C      -4.367616     -7.700185      4.197559
  N      -4.784805     -6.302911      4.197324
  Mo     -3.546763     -4.760843      3.737019
  N      -1.622303     -5.228549      4.353879
  C      -0.650553     -5.819505      3.443282
  C      -1.405324     -6.449590      2.270927
  H      -0.057862     -6.575055      3.984558
  H       0.054686     -5.057424      3.072817
  H      -0.990732     -7.434601      2.002692
  H      -1.346423     -5.807889      1.388146
  H      -5.113139     -8.303818      3.653148
  H      -4.310512     -8.098468      5.224303
  H      -2.865204     -8.715312      2.977527
  H      -2.213929     -7.701479      4.294668
  H      -3.010176     -5.308572     -0.115956
  H      -4.675912     -5.012178      0.423027
  H      -3.342437     -7.463863      0.745065
  H      -4.711666     -6.930256      1.758312
  C      -2.483040     -3.244007      1.342235
  C      -2.131351     -2.917694      0.006404
  C      -1.509827     -1.714330     -0.263762
  C      -1.258266     -0.777168      0.765252
  C      -1.574538     -1.080208      2.072568
  C      -2.129995     -2.340296      2.392887
  N      -2.509464     -2.735917      3.650054
  C      -2.032868     -2.121977      4.746170
  C      -0.731524     -1.590805      5.022448
  O      -0.409077     -0.904792      5.964751
  Cl      0.646536     -2.220444      3.919599
  C      -6.060106     -6.031563      4.605425
  C      -6.932188     -6.960151      5.212861
  C      -8.207190     -6.567669      5.587026
  C      -8.634419     -5.251021      5.351657
  C      -7.796566     -4.328924      4.739898
  C      -6.492575     -4.700091      4.349955
  N      -5.557441     -3.903642      3.677330
  C      -5.987461     -2.616348      3.462580
  C      -5.529556     -1.737951      2.432993
  O      -4.822963     -1.850403      1.470787
  Cl     -6.529044     -0.127193      2.605479
  C      -1.223414     -4.891079      5.598426
  C       0.099343     -4.967545      6.113024
  C       0.343549     -4.591469      7.416292
  C      -0.703755     -4.116153      8.247338
  C      -1.996434     -4.039455      7.777738
  C      -2.283051     -4.436816      6.450395
  N      -3.509159     -4.383798      5.862266
  C      -4.654327     -4.287173      6.612151
  C      -4.904307     -5.136314      7.713695
  O      -4.285525     -6.069713      8.183491
  Cl     -6.552476     -4.677718      8.492879
  H      -2.387696     -3.585619     -0.814370
  H      -1.254294     -1.463208     -1.294587
  H      -0.839738      0.199337      0.519960
  H      -1.427427     -0.345241      2.862672
  H      -2.673965     -2.117121      5.626499
  H      -6.590174     -7.973234      5.418921
  H      -8.872358     -7.277041      6.080127
  H      -9.635496     -4.943502      5.656424
  H      -8.167481     -3.322488      4.558636
  H      -6.636473     -2.150503      4.203756
  H       0.919597     -5.282422      5.470068
  H       1.361928     -4.626212      7.805251
  H      -0.474810     -3.780531      9.259354
  H      -2.802203     -3.651405      8.400188
  H      -5.454232     -3.644366      6.262352
  N      -7.707123     -3.996862      1.441440
  N      -7.596465     -2.963443      1.941616
  H      -8.124781     -2.056576      1.811595
74
Coordinates from ORCA-job orca E -7353.202152855682
  N      -3.187266     -4.326481      1.746690
  C      -3.665780     -5.296118      0.768448
  C      -3.696784     -6.682723      1.432709
  N      -2.837458     -6.618374      2.637026
  C      -3.000011     -7.775311      3.547236
  C      -4.373684     -7.704689      4.187163
  N      -4.786956     -6.305560      4.193735
  Mo     -3.547013     -4.763681      3.737407
  N      -1.621585     -5.227875      4.352206
  C      -0.649694     -5.818962      3.441728
  C      -1.405095     -6.452709      2.271746
  H      -0.055408     -6.572367      3.984211
  H       0.054181     -5.056750      3.068988
  H      -0.989883     -7.438159      2.005896
  H      -1.348090     -5.813698      1.386832
  H      -5.114429     -8.301209      3.627382
  H      -4.331178     -8.113804      5.209622
  H      -2.845792     -8.716701      2.995374
  H      -2.217369     -7.686459      4.310031
  H      -3.010824     -5.314241     -0.114461
  H      -4.676552     -5.018659      0.425348
  H      -3.338289     -7.469977      0.748520
  H      -4.709766     -6.939513      1.759346
  C      -2.483080     -3.247405      1.342769
  C      -2.131243     -2.920878      0.006942
  C      -1.510689     -1.717081     -0.263125
  C      -1.259824     -0.779524      0.765748
  C      -1.576188     -1.082333      2.073005
  C      -2.131157     -2.342573      2.393341
  N      -2.511509     -2.736949      3.650350
  C      -2.038153     -2.121235      4.746677
  C      -0.739501     -1.583503      5.023555
  O      -0.421257     -0.894771      5.965206
  Cl      0.640388     -2.195534      3.914212
  C      -6.062410     -6.032125      4.602090
  C      -6.936705     -6.960547      5.206622
  C      -8.211126     -6.566252      5.581355
  C      -8.635310     -5.247705      5.350808
  C      -7.795388     -4.324625      4.742850
  C      -6.492618     -4.698213      4.350571
  N      -5.556197     -3.902801      3.678559
  C      -5.981769     -2.613722      3.466521
  C      -5.523081     -1.738336      2.434400
  O      -4.821564     -1.856338      1.468692
  Cl     -6.512898     -0.122100      2.608760
  C      -1.222318     -4.889521      5.596749
  C       0.100616     -4.964422      6.111182
  C       0.344632     -4.588037      7.414603
  C      -0.702960     -4.113576      8.245705
  C      -1.995751     -4.037691      7.775971
  C      -2.282115     -4.435576      6.448636
  N      -3.508854     -4.385683      5.861286
  C      -4.653575     -4.291830      6.613080
  C      -4.900824     -5.145451      7.711775
  O      -4.279003     -6.078411      8.178634
  Cl     -6.542501     -4.684490      8.503370
  H      -2.386793     -3.588964     -0.813818
  H      -1.255210     -1.465902     -1.293922
  H      -0.841622      0.197070      0.520408
  H      -1.429726     -0.347053      2.863062
  H      -2.680294     -2.118693      5.626198
  H      -6.597441     -7.975204      5.410244
  H      -8.877469     -7.276336      6.071911
  H      -9.635775     -4.938699      5.656226
  H      -8.164284     -3.316653      4.565297
  H      -6.627277     -2.145098      4.208759
  H       0.921376     -5.278297      5.468399
  H       1.363367     -4.621881      7.803096
  H      -0.474592     -3.778051      9.257952
  H      -2.802055     -3.650433      8.398176
  H      -5.453748     -3.647292      6.267415
  N      -7.711765     -3.987092      1.447522
  N      -7.596515     -2.954425      1.947563
  H      -8.122055     -2.045779      1.817647
74
Coordinates from ORCA-job orca E -7353.202185834969
  N      -3.184436     -4.325768      1.745784
  C      -3.661543     -5.294896      0.765955
  C      -3.695889     -6.681636      1.429984
  N      -2.838050     -6.619957      2.634860
  C      -3.001510     -7.778488      3.543147
  C      -4.370982     -7.704142      4.193602
  N      -4.786428     -6.306100      4.193972
  Mo     -3.547057     -4.764249      3.735822
  N      -1.622315     -5.228204      4.350226
  C      -0.650466     -5.823960      3.442600
  C      -1.405275     -6.454789      2.271038
  H      -0.060887     -6.579431      3.987362
  H       0.057650     -5.065110      3.070989
  H      -0.990273     -7.439829      2.003232
  H      -1.347064     -5.813955      1.387554
  H      -5.115178     -8.305890      3.644312
  H      -4.319291     -8.105859      5.218577
  H      -2.857331     -8.718792      2.986739
  H      -2.212319     -7.697588      4.299917
  H      -3.003549     -5.314261     -0.114707
  H      -4.670769     -5.017348      0.419170
  H      -3.337177     -7.468270      0.745054
  H      -4.709541     -6.938100      1.754865
  C      -2.481049     -3.245803      1.342803
  C      -2.128045     -2.918585      0.007529
  C      -1.507677     -1.714456     -0.261425
  C      -1.257801     -0.777287      0.768055
  C      -1.575651     -1.080497      2.074857
  C      -2.131231     -2.340784      2.394064
  N      -2.513519     -2.734590      3.650434
  C      -2.041397     -2.118668      4.746965
  C      -0.743402     -1.579128      5.023774
  O      -0.425382     -0.894617      5.968536
  Cl      0.636306     -2.189045      3.914136
  C      -6.061535     -6.032725      4.603479
  C      -6.934730     -6.960229      5.210780
  C      -8.208792     -6.565638      5.586756
  C      -8.633583     -5.247466      5.355742
  C      -7.794139     -4.324960      4.745975
  C      -6.492429     -4.699024      4.351412
  N      -5.557052     -3.904402      3.677170
  C      -5.981792     -2.615363      3.464971
  C      -5.523806     -1.742300      2.430294
  O      -4.826140     -1.864382      1.461990
  Cl     -6.507445     -0.123225      2.605058
  C      -1.223462     -4.889656      5.595127
  C       0.098752     -4.966195      6.110867
  C       0.342070     -4.589355      7.414387
  C      -0.705606     -4.112985      8.244184
  C      -1.997838     -4.035703      7.773092
  C      -2.283411     -4.434002      6.445664
  N      -3.509946     -4.384782      5.857910
  C      -4.654537     -4.290494      6.610801
  C      -4.901768     -5.147176      7.706726
  O      -4.280407     -6.082251      8.170174
  Cl     -6.540613     -4.684766      8.503932
  H      -2.382523     -3.586486     -0.813715
  H      -1.251301     -1.462790     -1.291879
  H      -0.839163      0.199330      0.523572
  H      -1.429988     -0.345584      2.865429
  H      -2.684293     -2.116008      5.625884
  H      -6.595674     -7.974606      5.416304
  H      -8.873699     -7.275893      6.079062
  H      -9.633300     -4.937589      5.662655
  H      -8.163592     -3.317035      4.569200
  H      -6.626308     -2.145062      4.206977
  H       0.919903     -5.281654      5.469344
  H       1.360553     -4.624567      7.803454
  H      -0.478153     -3.777290      9.256589
  H      -2.804635     -3.647418      8.394058
  H      -5.453389     -3.642805      6.267819
  N      -7.723365     -3.985191      1.449952
  N      -7.601776     -2.952630      1.948533
  H      -8.123093     -2.041599      1.816701
74
Coordinates from ORCA-job orca E -7353.202219911327
  N      -3.179928     -4.327929      1.745369
  C      -3.654908     -5.296521      0.763749
  C      -3.693313     -6.683842      1.427502
  N      -2.838333     -6.624160      2.633839
  C      -3.003570     -7.782997      3.541261
  C      -4.371252     -7.705648      4.196814
  N      -4.787869     -6.308326      4.191639
  Mo     -3.547723     -4.767290      3.734145
  N      -1.622669     -5.227131      4.346479
  C      -0.650625     -5.829127      3.443174
  C      -1.404865     -6.459540      2.271484
  H      -0.065942     -6.585554      3.991903
  H       0.062071     -5.074731      3.071123
  H      -0.989596     -7.444373      2.003232
  H      -1.345913     -5.818507      1.388218
  H      -5.116868     -8.311142      3.653887
  H      -4.314296     -8.101842      5.223747
  H      -2.866505     -8.723114      2.982488
  H      -2.210523     -7.707755      4.294282
  H      -2.992934     -5.317368     -0.113937
  H      -4.662294     -5.018538      0.412393
  H      -3.332624     -7.469390      0.742178
  H      -4.707950     -6.940807      1.749192
  C      -2.477943     -3.246663      1.343560
  C      -2.122700     -2.919317      0.009078
  C      -1.504073     -1.714180     -0.259150
  C      -1.258202     -0.775959      0.770324
  C      -1.578586     -1.078976      2.076541
  C      -2.132529     -2.340215      2.395420
  N      -2.517585     -2.732510      3.651173
  C      -2.048431     -2.116945      4.748602
  C      -0.750860     -1.576898      5.028575
  O      -0.436659     -0.892120      5.974371
  Cl      0.630960     -2.185799      3.923277
  C      -6.062585     -6.034020      4.602280
  C      -6.935950     -6.960481      5.210277
  C      -8.208902     -6.564186      5.588888
  C      -8.632066     -5.245061      5.361150
  C      -7.791669     -4.323142      4.751365
  C      -6.492314     -4.699174      4.352340
  N      -5.557631     -3.906045      3.676240
  C      -5.978515     -2.616033      3.465396
  C      -5.519749     -1.747137      2.427373
  O      -4.830340     -1.878257      1.453939
  Cl     -6.485735     -0.119542      2.606174
  C      -1.223839     -4.885947      5.591040
  C       0.097898     -4.960979      6.107594
  C       0.340125     -4.582125      7.410882
  C      -0.708337     -4.105461      8.239359
  C      -2.000321     -4.029703      7.767168
  C      -2.284507     -4.429927      6.439993
  N      -3.511295     -4.385487      5.852387
  C      -4.655006     -4.292320      6.608690
  C      -4.899418     -5.156048      7.698859
  O      -4.278320     -6.096370      8.152441
  Cl     -6.533538     -4.695481      8.507990
  H      -2.374337     -3.588068     -0.812366
  H      -1.246110     -1.462438     -1.289191
  H      -0.840806      0.201282      0.526240
  H      -1.436695     -0.343124      2.866884
  H      -2.694030     -2.113498      5.625521
  H      -6.598919     -7.975547      5.415698
  H      -8.873284     -7.274779      6.081465
  H      -9.630147     -4.933111      5.671154
  H      -8.159919     -3.313960      4.578967
  H      -6.619319     -2.142010      4.208364
  H       0.920000     -5.277102      5.467562
  H       1.358558     -4.616518      7.800161
  H      -0.482281     -3.768647      9.251707
  H      -2.808587     -3.642057      8.386731
  H      -5.452363     -3.638885      6.273040
  N      -7.742228     -3.974364      1.457567
  N      -7.609160     -2.942933      1.955760
  H      -8.123860     -2.028142      1.823188
74
Coordinates from ORCA-job orca E -7353.202244222661
  N      -3.175152     -4.331580      1.745688
  C      -3.648665     -5.299685      0.762890
  C      -3.690354     -6.687519      1.426335
  N      -2.837735     -6.628456      2.634291
  C      -3.005153     -7.786451      3.541921
  C      -4.374367     -7.708034      4.194456
  N      -4.790256     -6.310503      4.187703
  Mo     -3.547925     -4.770945      3.733017
  N      -1.621911     -5.225185      4.342871
  C      -0.649679     -5.832538      3.443342
  C      -1.403539     -6.464801      2.272773
  H      -0.068320     -6.588684      3.996021
  H       0.066302     -5.082002      3.069746
  H      -0.988186     -7.449989      2.005992
  H      -1.344089     -5.825351      1.388454
  H      -5.118996     -8.313588      3.650401
  H      -4.319213     -8.103412      5.221886
  H      -2.868246     -8.727271      2.984013
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  H      -2.983777     -5.321893     -0.112560
  H      -4.654516     -5.020299      0.408409
  H      -3.327672     -7.472380      0.741239
  H      -4.705748     -6.944499      1.745575
  C      -2.473948     -3.249569      1.344513
  C      -2.115706     -2.923553      0.010589
  C      -1.499481     -1.717339     -0.258127
  C      -1.259342     -0.776492      0.770292
  C      -1.582749     -1.078077      2.076070
  C      -2.133742     -2.340499      2.395966
  N      -2.521866     -2.730202      3.651347
  C      -2.057951     -2.112681      4.749163
  C      -0.762207     -1.568547      5.032941
  O      -0.454932     -0.881008      5.978984
  Cl      0.624823     -2.175315      3.935497
  C      -6.064192     -6.034584      4.600299
  C      -6.938519     -6.959977      5.208010
  C      -8.209550     -6.560782      5.590794
  C      -8.629418     -5.239804      5.368199
  C      -7.787650     -4.318894      4.758483
  C      -6.491308     -4.698093      4.353897
  N      -5.557223     -3.907119      3.675743
  C      -5.972691     -2.615362      3.466804
  C      -5.514473     -1.752712      2.423495
  O      -4.836757     -1.895596      1.443244
  Cl     -6.457104     -0.113631      2.608437
  C      -1.223226     -4.881373      5.587124
  C       0.098147     -4.953880      6.104285
  C       0.338958     -4.573661      7.407571
  C      -0.710818     -4.098556      8.235134
  C      -2.002727     -4.025481      7.762112
  C      -2.285163     -4.426789      6.434896
  N      -3.512164     -4.387875      5.847154
  C      -4.655440     -4.298339      6.606773
  C      -4.896480     -5.172188      7.688640
  O      -4.274634     -6.117804      8.130564
  Cl     -6.527315     -4.718128      8.509501
  H      -2.363612     -3.594286     -0.810371
  H      -1.239425     -1.466639     -1.287895
  H      -0.844106      0.201527      0.525623
  H      -1.445796     -0.340178      2.865367
  H      -2.707235     -2.108021      5.623317
  H      -6.604358     -7.976409      5.411255
  H      -8.874266     -7.271129      6.083310
  H      -9.625381     -4.925210      5.682244
  H      -8.153242     -3.307770      4.591486
  H      -6.607347     -2.136569      4.212180
  H       0.921357     -5.269466      5.465382
  H       1.357292     -4.606297      7.797215
  H      -0.486225     -3.761209      9.247629
  H      -2.812804     -3.639975      8.380750
  H      -5.451913     -3.639476      6.279464
  N      -7.764054     -3.959827      1.469490
  N      -7.617573     -2.929619      1.966831
  H      -8.124608     -2.010599      1.834091
74
Coordinates from ORCA-job orca E -7353.202264654306
  N      -3.171821     -4.335887      1.746918
  C      -3.644012     -5.303587      0.763290
  C      -3.688292     -6.691792      1.426252
  N      -2.837313     -6.632521      2.636001
  C      -3.007222     -7.789870      3.543661
  C      -4.378725     -7.710941      4.190789
  N      -4.793805     -6.312903      4.183064
  Mo     -3.548570     -4.774995      3.732815
  N      -1.620871     -5.223543      4.340299
  C      -0.648692     -5.833976      3.442912
  C      -1.402499     -6.470285      2.274658
  H      -0.067703     -6.588325      3.998467
  H       0.068064     -5.085523      3.066567
  H      -0.987448     -7.456461      2.011251
  H      -1.342758     -5.834123      1.388032
  H      -5.121418     -8.315892      3.643502
  H      -4.328095     -8.105794      5.218677
  H      -2.867849     -8.731210      2.987108
  H      -2.218153     -7.714874      4.300765
  H      -2.977105     -5.326727     -0.110565
  H      -4.648554     -5.021548      0.406965
  H      -3.324223     -7.476752      0.742127
  H      -4.704372     -6.947759      1.743847
  C      -2.471348     -3.253001      1.346510
  C      -2.109872     -2.928273      0.013099
  C      -1.496074     -1.720941     -0.256076
  C      -1.261826     -0.777539      0.771384
  C      -1.587995     -1.077976      2.076689
  C      -2.136008     -2.341592      2.397507
  N      -2.526083     -2.729754      3.652649
  C      -2.065916     -2.111992      4.751142
  C      -0.771922     -1.563451      5.037551
  O      -0.470437     -0.874218      5.984224
  Cl      0.618783     -2.164802      3.944094
  C      -6.067374     -6.035674      4.596168
  C      -6.943681     -6.960529      5.201669
  C      -8.212994     -6.558478      5.587522
  C      -8.628762     -5.235231      5.370663
  C      -7.785124     -4.315108      4.762354
  C      -6.491172     -4.697482      4.353609
  N      -5.556715     -3.908263      3.675127
  C      -5.966213     -2.614341      3.467979
  C      -5.507885     -1.758118      2.419689
  O      -4.841221     -1.912674      1.433510
  Cl     -6.425850     -0.107034      2.611103
  C      -1.221658     -4.875966      5.583589
  C       0.099951     -4.943887      6.100158
  C       0.340000     -4.561043      7.402948
  C      -0.710993     -4.088149      8.230132
  C      -2.003342     -4.019583      7.757402
  C      -2.284653     -4.423349      6.430761
  N      -3.512255     -4.392191      5.843638
  C      -4.654649     -4.305968      6.607005
  C      -4.891018     -5.187686      7.682618
  O      -4.268423     -6.137920      8.113837
  Cl     -6.518070     -4.738881      8.515409
  H      -2.353565     -3.601098     -0.807391
  H      -1.233550     -1.471342     -1.285481
  H      -0.848923      0.201345      0.526192
  H      -1.455745     -0.338223      2.865047
  H      -2.716714     -2.109716      5.624294
  H      -6.612363     -7.978536      5.401523
  H      -8.879238     -7.268239      6.078805
  H      -9.623019     -4.918412      5.687856
  H      -8.147179     -3.301817      4.600544
  H      -6.594003     -2.130988      4.216419
  H       0.923911     -5.258422      5.461662
  H       1.358446     -4.590255      7.792536
  H      -0.487033     -3.749332      9.242282
  H      -2.815038     -3.636883      8.375758
  H      -5.450672     -3.642578      6.287751
  N      -7.783670     -3.943633      1.480458
  N      -7.624806     -2.915131      1.978053
  H      -8.125138     -1.992398      1.846839
74
Coordinates from ORCA-job orca E -7353.202281897704
  N      -3.168751     -4.339222      1.748009
  C      -3.640798     -5.306661      0.764104
  C      -3.687349     -6.694444      1.427228
  N      -2.836496     -6.634670      2.637922
  C      -3.008182     -7.791584      3.545655
  C      -4.382073     -7.712720      4.186815
  N      -4.796004     -6.313939      4.179285
  Mo     -3.547934     -4.777480      3.732831
  N      -1.618745     -5.222494      4.338894
  C      -0.647137     -5.834027      3.441784
  C      -1.401415     -6.474389      2.276040
  H      -0.064731     -6.586329      3.998661
  H       0.068724     -5.086131      3.062579
  H      -0.987350     -7.461948      2.016511
  H      -1.341337     -5.841827      1.386868
  H      -5.122974     -8.316218      3.635423
  H      -4.337072     -8.107963      5.214782
  H      -2.864370     -8.733274      2.990872
  H      -2.222791     -7.714514      4.306592
  H      -2.973105     -5.330980     -0.109115
  H      -4.644175     -5.021241      0.407128
  H      -3.323884     -7.480723      0.744515
  H      -4.703921     -6.947651      1.745163
  C      -2.468191     -3.256179      1.347769
  C      -2.103687     -2.933411      0.014566
  C      -1.492433     -1.725058     -0.255702
  C      -1.264051     -0.778598      0.770330
  C      -1.592535     -1.077402      2.075371
  C      -2.137052     -2.342202      2.397633
  N      -2.529130     -2.728720      3.652666
  C      -2.075045     -2.107857      4.751363
  C      -0.784445     -1.551752      5.041031
  O      -0.491152     -0.858225      5.987138
  Cl      0.613095     -2.147590      3.954930
  C      -6.069033     -6.035705      4.593343
  C      -6.946855     -6.959853      5.197887
  C      -8.214257     -6.554963      5.587013
  C      -8.626455     -5.229778      5.374318
  C      -7.781898     -4.310875      4.765737
  C      -6.489984     -4.696444      4.353397
  N      -5.555286     -3.909260      3.673871
  C      -5.959460     -2.613260      3.467928
  C      -5.504097     -1.764518      2.412611
  O      -4.849020     -1.929975      1.420339
  Cl     -6.401094     -0.103222      2.609003
  C      -1.219366     -4.873906      5.581954
  C       0.102355     -4.939369      6.098140
  C       0.341683     -4.556320      7.401092
  C      -0.710333     -4.086042      8.228411
  C      -2.002979     -4.020062      7.755933
  C      -2.283328     -4.423756      6.429171
  N      -3.510997     -4.396667      5.841800
  C      -4.653552     -4.313298      6.606729
  C      -4.887972     -5.201526      7.676762
  O      -4.264788     -6.154339      8.101538
  Cl     -6.514663     -4.758223      8.514838
  H      -2.343309     -3.608650     -0.805116
  H      -1.227630     -1.477056     -1.284900
  H      -0.853778      0.201137      0.524104
  H      -1.464623     -0.335616      2.862556
  H      -2.728422     -2.107196      5.622562
  H      -6.617651     -7.979162      5.394458
  H      -8.881895     -7.263465      6.078184
  H      -9.619167     -4.911116      5.694537
  H      -8.140502     -3.295880      4.606864
  H      -6.579539     -2.125613      4.220145
  H       0.926715     -5.252481      5.459440
  H       1.360021     -4.583457      7.791062
  H      -0.486673     -3.747384      9.240685
  H      -2.815739     -3.640013      8.374588
  H      -5.449293     -3.647382      6.291864
  N      -7.802748     -3.930405      1.491730
  N      -7.632461     -2.902996      1.987974
  H      -8.125964     -1.976520      1.858019
74
Coordinates from ORCA-job orca E -7353.202296740217
  N      -3.167346     -4.341910      1.748814
  C      -3.639027     -5.309560      0.764867
  C      -3.687309     -6.696461      1.428649
  N      -2.836132     -6.636229      2.639977
  C      -3.009145     -7.793188      3.547685
  C      -4.384091     -7.714001      4.185933
  N      -4.797891     -6.314844      4.177289
  Mo     -3.547630     -4.779418      3.733373
  N      -1.616702     -5.222412      4.338776
  C      -0.645860     -5.832204      3.439970
  C      -1.401041     -6.477689      2.277312
  H      -0.058952     -6.581338      3.996373
  H       0.066195     -5.082476      3.057110
  H      -0.987846     -7.466739      2.022283
  H      -1.340905     -5.849231      1.385212
  H      -5.123894     -8.317522      3.632967
  H      -4.342500     -8.107903      5.214458
  H      -2.862523     -8.734729      2.993597
  H      -2.225909     -7.714821      4.310999
  H      -2.971123     -5.334585     -0.108186
  H      -4.641631     -5.021557      0.407567
  H      -3.325374     -7.484758      0.747615
  H      -4.704399     -6.946585      1.747247
  C      -2.467433     -3.258252      1.348985
  C      -2.100926     -2.936087      0.016015
  C      -1.491691     -1.726761     -0.254364
  C      -1.267266     -0.778731      0.771190
  C      -1.596916     -1.077229      2.075959
  C      -2.139039     -2.342981      2.398434
  N      -2.531456     -2.730001      3.653358
  C      -2.080320     -2.108480      4.752596
  C      -0.792351     -1.546301      5.043247
  O      -0.503614     -0.851061      5.989505
  Cl      0.608564     -2.135579      3.958780
  C      -6.071087     -6.036083      4.590204
  C      -6.950942     -6.959791      5.192925
  C      -8.217284     -6.552879      5.582778
  C      -8.626531     -5.226150      5.372717
  C      -7.780882     -4.308149      4.764821
  C      -6.489781     -4.696112      4.351429
  N      -5.553879     -3.910235      3.672323
  C      -5.954106     -2.612566      3.467052
  C      -5.500509     -1.768768      2.407106
  O      -4.852160     -1.941118      1.411495
  Cl     -6.384224     -0.101254      2.606213
  C      -1.216809     -4.872836      5.581295
  C       0.105397     -4.935363      6.096434
  C       0.344625     -4.551525      7.399223
  C      -0.707935     -4.083358      8.227033
  C      -2.001103     -4.020102      7.755470
  C      -2.281222     -4.424617      6.429047
  N      -3.509170     -4.401448      5.841997
  C      -4.651876     -4.319598      6.607408
  C      -4.884590     -5.208848      7.676713
  O      -4.260287     -6.161150      8.100885
  Cl     -6.512071     -4.767919      8.515688
  H      -2.337185     -3.612796     -0.803414
  H      -1.225184     -1.479395     -1.283267
  H      -0.859003      0.201774      0.524703
  H      -1.471661     -0.334617      2.862787
  H      -2.733273     -2.112803      5.624164
  H      -6.623215     -7.980071      5.386889
  H      -8.886980     -7.260095      6.072947
  H      -9.618472     -4.906431      5.694343
  H      -8.136241     -3.291859      4.607065
  H      -6.567976     -2.122063      4.222587
  H       0.929738     -5.247088      5.457007
  H       1.363011     -4.576245      7.789220
  H      -0.483887     -3.744166      9.239049
  H      -2.814298     -3.642025      8.374768
  H      -5.448364     -3.654392      6.292929
  N      -7.814320     -3.919804      1.498170
  N      -7.636917     -2.893702      1.994677
  H      -8.126399     -1.964768      1.867745
74
Coordinates from ORCA-job orca E -7353.202310683017
  N      -3.165308     -4.343826      1.748702
  C      -3.636591     -5.311878      0.764676
  C      -3.687441     -6.697348      1.430056
  N      -2.835835     -6.637218      2.641350
  C      -3.009313     -7.794153      3.549369
  C      -4.384455     -7.714537      4.187166
  N      -4.798440     -6.315340      4.176879
  Mo     -3.546780     -4.780414      3.733585
  N      -1.614347     -5.222924      4.338546
  C      -0.644484     -5.829940      3.437176
  C      -1.400923     -6.480427      2.277761
  H      -0.052070     -6.575698      3.992197
  H       0.062600     -5.077492      3.050351
  H      -0.988483     -7.470864      2.027019
  H      -1.340783     -5.855897      1.382887
  H      -5.124077     -8.318775      3.634609
  H      -4.343893     -8.106875      5.216259
  H      -2.861460     -8.735535      2.995549
  H      -2.226625     -7.714580      4.313322
  H      -2.968076     -5.338111     -0.107939
  H      -4.638256     -5.022340      0.406040
  H      -3.328030     -7.488142      0.750618
  H      -4.705156     -6.943921      1.749494
  C      -2.465956     -3.259806      1.349310
  C      -2.097477     -2.938065      0.016666
  C      -1.490084     -1.727808     -0.253452
  C      -1.269397     -0.778425      0.771761
  C      -1.600414     -1.076653      2.076229
  C      -2.140339     -2.343310      2.398543
  N      -2.533957     -2.730853      3.653131
  C      -2.087603     -2.106818      4.752840
  C      -0.803258     -1.537302      5.045341
  O      -0.520473     -0.838828      5.991015
  Cl      0.603008     -2.121653      3.965549
  C      -6.071966     -6.036348      4.588221
  C      -6.953338     -6.959454      5.190041
  C      -8.218948     -6.551002      5.579964
  C      -8.626236     -5.223266      5.371203
  C      -7.779887     -4.306173      4.763385
  C      -6.489398     -4.696111      4.349337
  N      -5.552384     -3.911533      3.670154
  C      -5.949525     -2.612501      3.465682
  C      -5.499690     -1.773263      2.400528
  O      -4.857868     -1.951128      1.401455
  Cl     -6.374894     -0.101906      2.600869
  C      -1.214083     -4.874726      5.581111
  C       0.108476     -4.936398      6.095474
  C       0.347776     -4.553662      7.398592
  C      -0.704878     -4.087235      8.227241
  C      -1.998361     -4.024619      7.756359
  C      -2.278521     -4.428257      6.429801
  N      -3.506468     -4.405462      5.842770
  C      -4.649440     -4.322798      6.607578
  C      -4.882574     -5.209900      7.678558
  O      -4.258431     -6.160968      8.105504
  Cl     -6.511506     -4.767706      8.514882
  H      -2.330672     -3.615973     -0.802653
  H      -1.222042     -1.480844     -1.282053
  H      -0.862938      0.202793      0.525170
  H      -1.477757     -0.333351      2.862806
  H      -2.741499     -2.114859      5.623616
  H      -6.626591     -7.980333      5.382616
  H      -8.890209     -7.257093      6.069580
  H      -9.617535     -4.902753      5.694059
  H      -8.132559     -3.289008      4.605457
  H      -6.557138     -2.119392      4.224638
  H       0.932597     -5.246667      5.455043
  H       1.366181     -4.577602      7.788605
  H      -0.480396     -3.748708      9.239388
  H      -2.811485     -3.647710      8.376449
  H      -5.446147     -3.658971      6.290874
  N      -7.826436     -3.910995      1.504147
  N      -7.642315     -2.886116      2.000377
  H      -8.127270     -1.954283      1.876783
74
Coordinates from ORCA-job orca E -7353.202324322291
  N      -3.162231     -4.346420      1.747784
  C      -3.632031     -5.315237      0.763572
  C      -3.686750     -6.699114      1.431340
  N      -2.835482     -6.639468      2.642703
  C      -3.009596     -7.795865      3.551640
  C      -4.384301     -7.715066      4.190891
  N      -4.798876     -6.316205      4.177270
  Mo     -3.545897     -4.781967      3.733482
  N      -1.611831     -5.223650      4.337893
  C      -0.642735     -5.827212      3.433809
  C      -1.400497     -6.484634      2.278622
  H      -0.043238     -6.568259      3.987362
  H       0.057740     -5.071295      3.041642
  H      -0.988423     -7.476600      2.033423
  H      -1.340162     -5.865282      1.380192
  H      -5.124189     -8.321301      3.640845
  H      -4.342534     -8.104683      5.220948
  H      -2.862809     -8.737350      2.997824
  H      -2.225934     -7.715873      4.314614
  H      -2.961746     -5.343163     -0.107712
  H      -4.632481     -5.025461      0.401842
  H      -3.330036     -7.492641      0.753563
  H      -4.705416     -6.942115      1.750761
  C      -2.465043     -3.261067      1.349279
  C      -2.095183     -2.938565      0.017154
  C      -1.490678     -1.726710     -0.251958
  C      -1.274134     -0.776494      0.773431
  C      -1.606082     -1.075452      2.077516
  C      -2.142946     -2.343555      2.398983
  N      -2.536836     -2.732876      3.653186
  C      -2.094376     -2.107213      4.753637
  C      -0.813674     -1.530316      5.047321
  O      -0.536051     -0.829407      5.992725
  Cl      0.597147     -2.109524      3.971008
  C      -6.072793     -6.036277      4.586546
  C      -6.956032     -6.958005      5.187955
  C      -8.221017     -6.547446      5.577250
  C      -8.626144     -5.218838      5.368917
  C      -7.778389     -4.303148      4.761212
  C      -6.488803     -4.695631      4.346638
  N      -5.550234     -3.912952      3.667213
  C      -5.943730     -2.612452      3.463704
  C      -5.497265     -1.777723      2.393532
  O      -4.861968     -1.961342      1.391046
  Cl     -6.364282     -0.102708      2.594211
  C      -1.211434     -4.876602      5.580501
  C       0.111435     -4.936956      6.094379
  C       0.350523     -4.555073      7.397776
  C      -0.702299     -4.090251      8.227086
  C      -1.996008     -4.028547      7.756636
  C      -2.276028     -4.431861      6.430014
  N      -3.504154     -4.410250      5.843184
  C      -4.647767     -4.328075      6.606607
  C      -4.880978     -5.211969      7.680331
  O      -4.255071     -6.159310      8.112746
  Cl     -6.512907     -4.770396      8.511544
  H      -2.325069     -3.617321     -0.802415
  H      -1.221662     -1.479177     -1.280179
  H      -0.870199      0.205849      0.527229
  H      -1.486550     -0.331746      2.864141
  H      -2.748344     -2.120393      5.624275
  H      -6.630769     -7.979409      5.380425
  H      -8.894057     -7.252231      6.066316
  H      -9.616669     -4.896972      5.692801
  H      -8.127973     -3.285009      4.602882
  H      -6.544183     -2.115898      4.226223
  H       0.935630     -5.245510      5.453202
  H       1.368998     -4.578080      7.787703
  H      -0.477752     -3.752051      9.239323
  H      -2.809074     -3.652461      8.377238
  H      -5.446214     -3.668390      6.285681
  N      -7.839449     -3.899540      1.510167
  N      -7.647491     -2.876647      2.006976
  H      -8.127052     -1.941201      1.888605
74
Coordinates from ORCA-job orca E -7353.202334617993
  N      -3.158691     -4.349155      1.746590
  C      -3.626421     -5.318463      0.761894
  C      -3.685642     -6.701205      1.431866
  N      -2.835337     -6.642204      2.643315
  C      -3.009894     -7.797543      3.553524
  C      -4.384347     -7.715850      4.193906
  N      -4.799260     -6.317455      4.177759
  Mo     -3.545510     -4.783585      3.733122
  N      -1.610110     -5.224377      4.336169
  C      -0.641452     -5.825084      3.430080
  C      -1.400159     -6.489045      2.278927
  H      -0.035838     -6.561722      3.982662
  H       0.053151     -5.066344      3.032907
  H      -0.988110     -7.482242      2.038765
  H      -1.339669     -5.874600      1.377178
  H      -5.124410     -8.323587      3.645804
  H      -4.340876     -8.104113      5.224467
  H      -2.864870     -8.739613      3.000148
  H      -2.224977     -7.717309      4.315096
  H      -2.953122     -5.348447     -0.107079
  H      -4.625411     -5.029256      0.395800
  H      -3.330765     -7.496584      0.755134
  H      -4.705274     -6.941555      1.750385
  C      -2.463200     -3.262688      1.349316
  C      -2.091461     -2.939624      0.017881
  C      -1.489345     -1.726398     -0.250135
  C      -1.277071     -0.775364      0.775386
  C      -1.610780     -1.074744      2.078972
  C      -2.145044     -2.344093      2.399677
  N      -2.540611     -2.734123      3.653278
  C      -2.103273     -2.105764      4.754336
  C      -0.826218     -1.522105      5.050231
  O      -0.554479     -0.817902      5.994891
  Cl      0.590139     -2.098442      3.979923
  C      -6.073615     -6.036797      4.584964
  C      -6.958222     -6.957496      5.185777
  C      -8.223115     -6.545564      5.574060
  C      -8.626756     -5.216427      5.366260
  C      -7.777404     -4.301580      4.759367
  C      -6.488760     -4.695838      4.344165
  N      -5.548926     -3.914590      3.664764
  C      -5.939195     -2.612771      3.462726
  C      -5.495737     -1.781745      2.388490
  O      -4.866898     -1.970382      1.382633
  Cl     -6.355221     -0.103235      2.589966
  C      -1.209288     -4.878911      5.578911
  C       0.113906     -4.938572      6.092208
  C       0.353213     -4.557822      7.395888
  C      -0.699379     -4.094170      8.226076
  C      -1.993287     -4.032795      7.756073
  C      -2.273558     -4.435669      6.429381
  N      -3.502026     -4.414031      5.843167
  C      -4.645142     -4.329842      6.606597
  C      -4.878327     -5.209359      7.684029
  O      -4.252852     -6.155454      8.119745
  Cl     -6.510274     -4.764498      8.513272
  H      -2.318445     -3.619087     -0.801937
  H      -1.219157     -1.478304     -1.277926
  H      -0.875204      0.207932      0.529633
  H      -1.494799     -0.330380      2.865479
  H      -2.759071     -2.121633      5.623496
  H      -6.634295     -7.979223      5.378955
  H      -8.897238     -7.249896      6.062325
  H      -9.616730     -4.893405      5.690625
  H      -8.124832     -3.282621      4.601517
  H      -6.533412     -2.112933      4.228120
  H       0.938184     -5.245511      5.450352
  H       1.371959     -4.580589      7.785171
  H      -0.474794     -3.756502      9.238476
  H      -2.806173     -3.657122      8.377138
  H      -5.444008     -3.671817      6.283533
  N      -7.853257     -3.887686      1.515734
  N      -7.653205     -2.867223      2.013804
  H      -8.126857     -1.927903      1.901025
74
Coordinates from ORCA-job orca E -7353.202342057420
  N      -3.155714     -4.351513      1.745527
  C      -3.621251     -5.321068      0.760378
  C      -3.684257     -6.703380      1.431743
  N      -2.834989     -6.644850      2.643524
  C      -3.010307     -7.798932      3.554951
  C      -4.384787     -7.716418      4.195555
  N      -4.799592     -6.318349      4.177909
  Mo     -3.545305     -4.785017      3.732584
  N      -1.609387     -5.224687      4.334604
  C      -0.640504     -5.823649      3.427791
  C      -1.399329     -6.492913      2.279518
  H      -0.030851     -6.556871      3.980299
  H       0.050120     -5.063155      3.027068
  H      -0.987140     -7.487030      2.043502
  H      -1.338368     -5.882538      1.375091
  H      -5.124826     -8.324878      3.648326
  H      -4.340143     -8.104337      5.226292
  H      -2.866972     -8.741878      3.002426
  H      -2.224650     -7.718818      4.315632
  H      -2.944792     -5.352892     -0.106129
  H      -4.618936     -5.032608      0.390241
  H      -3.330242     -7.499575      0.755411
  H      -4.704611     -6.942135      1.749214
  C      -2.462177     -3.263634      1.349406
  C      -2.089743     -2.939677      0.018429
  C      -1.490015     -1.725133     -0.248834
  C      -1.280890     -0.773707      0.776922
  C      -1.615295     -1.073871      2.080189
  C      -2.147036     -2.344410      2.400449
  N      -2.542811     -2.735267      3.653809
  C      -2.107670     -2.105872      4.755238
  C      -0.832368     -1.518887      5.051992
  O      -0.563263     -0.813333      5.996388
  Cl      0.586576     -2.093849      3.984425
  C      -6.073855     -6.036548      4.584740
  C      -6.959058     -6.956007      5.186189
  C      -8.223804     -6.542717      5.574147
  C      -8.626460     -5.213467      5.365824
  C      -7.775838     -4.299597      4.758815
  C      -6.488192     -4.695349      4.342892
  N      -5.547723     -3.915548      3.663042
  C      -5.935491     -2.612765      3.461691
  C      -5.493134     -1.784648      2.384930
  O      -4.868725     -1.977071      1.376957
  Cl     -6.346927     -0.102970      2.586594
  C      -1.208628     -4.879578      5.577492
  C       0.114648     -4.938248      6.090797
  C       0.353814     -4.557635      7.394531
  C      -0.698830     -4.094576      8.224936
  C      -1.992765     -4.033988      7.754893
  C      -2.272972     -4.437287      6.428259
  N      -3.501850     -4.416799      5.842485
  C      -4.645005     -4.333324      6.605603
  C      -4.877749     -5.211447      7.684381
  O      -4.250673     -6.155356      8.122636
  Cl     -6.510948     -4.768130      8.511347
  H      -2.314905     -3.619529     -0.801578
  H      -1.219577     -1.476186     -1.276363
  H      -0.881008      0.210498      0.531594
  H      -1.502016     -0.329030      2.866612
  H      -2.764203     -2.123468      5.623816
  H      -6.636305     -7.977838      5.380847
  H      -8.898245     -7.246652      6.062592
  H      -9.616005     -4.889186      5.690165
  H      -8.122133     -3.280152      4.601473
  H      -6.525477     -2.109980      4.228556
  H       0.939381     -5.244068      5.448992
  H       1.372782     -4.579973      7.783298
  H      -0.474650     -3.756735      9.237359
  H      -2.805703     -3.658391      8.375893
  H      -5.445435     -3.678014      6.280835
  N      -7.863244     -3.878049      1.519277
  N      -7.656669     -2.859771      2.018870
  H      -8.125433     -1.917332      1.910923
74
Coordinates from ORCA-job orca E -7353.202347715048
  N      -3.153761     -4.353399      1.744981
  C      -3.617412     -5.322855      0.759289
  C      -3.683406     -6.705102      1.431229
  N      -2.834755     -6.646827      2.643370
  C      -3.010785     -7.799859      3.555659
  C      -4.385703     -7.717050      4.195159
  N      -4.800082     -6.319062      4.177604
  Mo     -3.545529     -4.786074      3.732203
  N      -1.609468     -5.224838      4.333142
  C      -0.640204     -5.822529      3.426014
  C      -1.398723     -6.495661      2.279699
  H      -0.027912     -6.553339      3.978688
  H       0.047799     -5.060847      3.023081
  H      -0.986470     -7.490473      2.046835
  H      -1.337412     -5.888409      1.373216
  H      -5.125389     -8.325151      3.647104
  H      -4.341312     -8.105836      5.225651
  H      -2.867863     -8.743682      3.004347
  H      -2.225403     -7.719572      4.316543
  H      -2.937978     -5.356265     -0.104870
  H      -4.613847     -5.034383      0.385802
  H      -3.329710     -7.501466      0.754920
  H      -4.704217     -6.942678      1.747998
  C      -2.461011     -3.264673      1.349916
  C      -2.087621     -2.940478      0.019273
  C      -1.489251     -1.725204     -0.247685
  C      -1.282514     -0.773337      0.778113
  C      -1.617852     -1.073754      2.081088
  C      -2.148130     -2.344953      2.401302
  N      -2.544662     -2.735686      3.654468
  C      -2.111333     -2.105265      4.756021
  C      -0.837049     -1.516501      5.053652
  O      -0.569727     -0.809990      5.997822
  Cl      0.583769     -2.090779      3.988170
  C      -6.074231     -6.036679      4.584543
  C      -6.959518     -6.955618      5.186289
  C      -8.224345     -6.541783      5.574065
  C      -8.626561     -5.212573      5.365459
  C      -7.775222     -4.299072      4.758479
  C      -6.488124     -4.695417      4.342155
  N      -5.547456     -3.916324      3.662270
  C      -5.933756     -2.612889      3.461241
  C      -5.491400     -1.786707      2.383251
  O      -4.869737     -1.981390      1.374096
  Cl     -6.341271     -0.102419      2.585471
  C      -1.208524     -4.879843      5.576105
  C       0.114878     -4.937665      6.089161
  C       0.354266     -4.556914      7.392836
  C      -0.698280     -4.094258      8.223530
  C      -1.992316     -4.034436      7.753636
  C      -2.272718     -4.438203      6.427163
  N      -3.502019     -4.418470      5.841954
  C      -4.644526     -4.334558      6.605838
  C      -4.876423     -5.211587      7.685757
  O      -4.248998     -6.155234      8.124238
  Cl     -6.508925     -4.768080      8.513242
  H      -2.311522     -3.620772     -0.800708
  H      -1.218272     -1.475935     -1.274995
  H      -0.883795      0.211399      0.533021
  H      -1.506550     -0.328394      2.867312
  H      -2.768891     -2.123200      5.623828
  H      -6.637406     -7.977459      5.381950
  H      -8.898617     -7.245775      6.062677
  H      -9.616025     -4.887586      5.689297
  H      -8.121363     -3.279415      4.601990
  H      -6.521424     -2.108205      4.228711
  H       0.939921     -5.242733      5.447398
  H       1.373511     -4.578891      7.780917
  H      -0.474261     -3.756141      9.235891
  H      -2.805292     -3.658984      8.374678
  H      -5.445596     -3.679912      6.281338
  N      -7.870955     -3.870372      1.520859
  N      -7.659433     -2.854193      2.022556
  H      -8.124433     -1.909375      1.918908
74
Coordinates from ORCA-job orca E -7353.202352687257
  N      -3.152071     -4.355098      1.744660
  C      -3.613761     -5.324377      0.758275
  C      -3.682951     -6.706432      1.430635
  N      -2.834420     -6.648498      2.643094
  C      -3.011319     -7.800635      3.556016
  C      -4.386825     -7.717605      4.193796
  N      -4.800501     -6.319491      4.177044
  Mo     -3.545692     -4.786921      3.731792
  N      -1.609798     -5.224965      4.331955
  C      -0.640086     -5.821278      3.424481
  C      -1.398050     -6.498124      2.279868
  H      -0.025275     -6.549791      3.977305
  H       0.045407     -5.058298      3.019768
  H      -0.985910     -7.493732      2.050332
  H      -1.336220     -5.894037      1.371319
  H      -5.126122     -8.324724      3.644121
  H      -4.343655     -8.107636      5.223902
  H      -2.867914     -8.745303      3.006173
  H      -2.226885     -7.719871      4.317858
  H      -2.931114     -5.359584     -0.103319
  H      -4.608621     -5.034971      0.381321
  H      -3.329986     -7.503113      0.754383
  H      -4.704168     -6.942094      1.747372
  C      -2.459785     -3.265580      1.350645
  C      -2.085443     -2.941353      0.020231
  C      -1.488314     -1.725465     -0.246682
  C      -1.283821     -0.773080      0.779098
  C      -1.619952     -1.073660      2.081804
  C      -2.148911     -2.345424      2.402143
  N      -2.545979     -2.735945      3.655215
  C      -2.113896     -2.104829      4.756829
  C      -0.840231     -1.515039      5.055137
  O      -0.573983     -0.808189      5.999339
  Cl      0.581876     -2.088242      3.990641
  C      -6.074389     -6.036675      4.584758
  C      -6.959401     -6.955193      5.187265
  C      -8.224167     -6.540911      5.575326
  C      -8.626147     -5.211820      5.366107
  C      -7.774688     -4.298716      4.758385
  C      -6.487939     -4.695493      4.341759
  N      -5.547362     -3.917065      3.661629
  C      -5.932642     -2.613132      3.460279
  C      -5.489959     -1.789088      2.381115
  O      -4.870450     -1.985577      1.371167
  Cl     -6.337071     -0.102305      2.583565
  C      -1.208734     -4.879895      5.575022
  C       0.114757     -4.936802      6.087822
  C       0.354378     -4.555649      7.391381
  C      -0.698122     -4.093284      8.222227
  C      -1.992269     -4.034349      7.752480
  C      -2.272868     -4.438753      6.426249
  N      -3.502563     -4.419940      5.841468
  C      -4.644579     -4.336180      6.606022
  C      -4.875645     -5.212944      7.686414
  O      -4.247430     -6.156100      8.124971
  Cl     -6.507786     -4.770272      8.514309
  H      -2.308061     -3.622248     -0.799593
  H      -1.216712     -1.476084     -1.273795
  H      -0.886209      0.212145      0.534169
  H      -1.510298     -0.327828      2.867826
  H      -2.772125     -2.123129      5.624149
  H      -6.637649     -7.976991      5.383669
  H      -8.897978     -7.244835      6.064668
  H      -9.615591     -4.886240      5.689412
  H      -8.121105     -3.279046      4.602476
  H      -6.518503     -2.106827      4.228082
  H       0.940099     -5.241319      5.446186
  H       1.373863     -4.577126      7.778863
  H      -0.474185     -3.754673      9.234437
  H      -2.805289     -3.659032      8.373551
  H      -5.446541     -3.682501      6.281730
  N      -7.879106     -3.862512      1.521307
  N      -7.662387     -2.848829      2.025723
  H      -8.123305     -1.901436      1.927086
74
Coordinates from ORCA-job orca E -7353.202358173808
  N      -3.150557     -4.356630      1.744523
  C      -3.610176     -5.325898      0.757293
  C      -3.682911     -6.707347      1.430258
  N      -2.834086     -6.649941      2.642897
  C      -3.011828     -7.801460      3.556228
  C      -4.387844     -7.718192      4.192391
  N      -4.800810     -6.319809      4.176504
  Mo     -3.545735     -4.787682      3.731414
  N      -1.610024     -5.225177      4.331098
  C      -0.640032     -5.819917      3.422971
  C      -1.397511     -6.500384      2.280035
  H      -0.022453     -6.546122      3.975672
  H       0.042716     -5.055382      3.016570
  H      -0.985567     -7.496838      2.053939
  H      -1.335119     -5.899424      1.369455
  H      -5.126879     -8.324204      3.641081
  H      -4.346337     -8.109182      5.222183
  H      -2.867363     -8.746738      3.007717
  H      -2.228554     -7.719935      4.319293
  H      -2.924196     -5.363021     -0.101619
  H      -4.603142     -5.034830      0.376602
  H      -3.331392     -7.504900      0.754369
  H      -4.704586     -6.940133      1.747531
  C      -2.458506     -3.266453      1.351417
  C      -2.083090     -2.942374      0.021187
  C      -1.487059     -1.725974     -0.245780
  C      -1.284707     -0.772983      0.779930
  C      -1.621626     -1.073598      2.082374
  C      -2.149483     -2.345832      2.402823
  N      -2.547141     -2.736136      3.655798
  C      -2.116345     -2.104356      4.757480
  C      -0.843363     -1.513447      5.056498
  O      -0.578231     -0.806471      6.000909
  Cl      0.579981     -2.084825      3.992555
  C      -6.074533     -6.036825      4.584914
  C      -6.959278     -6.955085      5.188117
  C      -8.223864     -6.540466      5.576625
  C      -8.625640     -5.211417      5.366903
  C      -7.774507     -4.298676      4.758107
  C      -6.487844     -4.695766      4.341387
  N      -5.547408     -3.917875      3.661005
  C      -5.932105     -2.613631      3.458846
  C      -5.488961     -1.791641      2.378586
  O      -4.870923     -1.989384      1.368186
  Cl     -6.334702     -0.102882      2.580876
  C      -1.208786     -4.880093      5.574245
  C       0.114801     -4.936161      6.086691
  C       0.354660     -4.554617      7.390154
  C      -0.697816     -4.092587      8.221141
  C      -1.992102     -4.034469      7.751620
  C      -2.272885     -4.439374      6.425634
  N      -3.502865     -4.421290      5.841144
  C      -4.644404     -4.337574      6.606382
  C      -4.874656     -5.214114      7.687191
  O      -4.245816     -6.156937      8.125653
  Cl     -6.506354     -4.771909      8.515754
  H      -2.304207     -3.624003     -0.798421
  H      -1.214651     -1.476693     -1.272697
  H      -0.888102      0.212675      0.535105
  H      -1.513387     -0.327392      2.868255
  H      -2.775040     -2.123315      5.624444
  H      -6.637659     -7.976879      5.384704
  H      -8.897285     -7.244170      6.066791
  H      -9.615030     -4.885411      5.689976
  H      -8.121215     -3.279058      4.602510
  H      -6.516480     -2.106132      4.226988
  H       0.940323     -5.240257      5.445092
  H       1.374313     -4.575530      7.777214
  H      -0.473799     -3.753520      9.233179
  H      -2.805152     -3.659392      8.372809
  H      -5.447091     -3.684691      6.282250
  N      -7.888110     -3.853778      1.520601
  N      -7.665761     -2.843191      2.028606
  H      -8.122257     -1.892941      1.936048
74
Coordinates from ORCA-job orca E -7353.202363245932
  N      -3.149023     -4.357877      1.744501
  C      -3.606450     -5.327400      0.756283
  C      -3.683167     -6.707766      1.430211
  N      -2.833824     -6.651210      2.642853
  C      -3.012281     -7.802441      3.556361
  C      -4.388613     -7.718891      4.191430
  N      -4.800906     -6.320150      4.176104
  Mo     -3.545542     -4.788463      3.731008
  N      -1.609978     -5.225477      4.330613
  C      -0.639934     -5.818868      3.421709
  C      -1.397139     -6.502533      2.280325
  H      -0.019689     -6.542958      3.974124
  H       0.040151     -5.052821      3.013693
  H      -0.985381     -7.499773      2.057429
  H      -1.334090     -5.904329      1.367987
  H      -5.127644     -8.323934      3.638968
  H      -4.348687     -8.110325      5.221064
  H      -2.866586     -8.747983      3.008726
  H      -2.229991     -7.720034      4.320479
  H      -2.917081     -5.366428     -0.099879
  H      -4.597237     -5.034338      0.371467
  H      -3.333942     -7.506905      0.755072
  H      -4.705415     -6.936748      1.748383
  C      -2.457207     -3.267160      1.352031
  C      -2.080793     -2.943228      0.021967
  C      -1.485773     -1.726358     -0.245008
  C      -1.285323     -0.772786      0.780627
  C      -1.622921     -1.073397      2.082845
  C      -2.149838     -2.346057      2.403256
  N      -2.548047     -2.736320      3.656101
  C      -2.118522     -2.104050      4.757933
  C      -0.846271     -1.511952      5.057735
  O      -0.582374     -0.805010      6.002520
  Cl      0.578234     -2.081110      3.994198
  C      -6.074546     -6.037152      4.585020
  C      -6.959105     -6.955194      5.188921
  C      -8.223323     -6.540233      5.578106
  C      -8.624889     -5.211123      5.368094
  C      -7.774421     -4.298781      4.757924
  C      -6.487721     -4.696183      4.341116
  N      -5.547460     -3.918797      3.660287
  C      -5.931929     -2.614461      3.456928
  C      -5.488586     -1.794404      2.375479
  O      -4.871597     -1.992978      1.364749
  Cl     -6.334338     -0.104361      2.577093
  C      -1.208593     -4.880341      5.573785
  C       0.115067     -4.935691      6.085915
  C       0.355018     -4.553752      7.389306
  C      -0.697517     -4.092020      8.220316
  C      -1.991928     -4.034568      7.750997
  C      -2.272771     -4.439897      6.425221
  N      -3.502869     -4.422440      5.840801
  C      -4.644155     -4.338893      6.606501
  C      -4.873845     -5.215558      7.687331
  O      -4.244539     -6.158170      8.125579
  Cl     -6.505229     -4.773598      8.516658
  H      -2.300318     -3.625555     -0.797478
  H      -1.212589     -1.477233     -1.271748
  H      -0.889621      0.213254      0.535882
  H      -1.515881     -0.326985      2.868703
  H      -2.777502     -2.123923      5.624663
  H      -6.637461     -7.977033      5.385211
  H      -8.896521     -7.243515      6.069155
  H      -9.614068     -4.884812      5.691557
  H      -8.121210     -3.279212      4.602315
  H      -6.514981     -2.106101      4.225495
  H       0.940668     -5.239534      5.444300
  H       1.374724     -4.574057      7.776244
  H      -0.473361     -3.752555      9.232191
  H      -2.805020     -3.659742      8.372281
  H      -5.447296     -3.686574      6.282346
  N      -7.898552     -3.844029      1.518950
  N      -7.669789     -2.837158      2.031216
  H      -8.121197     -1.883607      1.945685
74
Coordinates from ORCA-job orca E -7353.202367837454
  N      -3.147885     -4.358470      1.744580
  C      -3.603482     -5.328509      0.755532
  C      -3.683523     -6.707676      1.430542
  N      -2.833697     -6.651998      2.643034
  C      -3.012451     -7.803317      3.556493
  C      -4.388802     -7.719609      4.191376
  N      -4.800692     -6.320562      4.176098
  Mo     -3.545154     -4.789136      3.730709
  N      -1.609654     -5.225776      4.330646
  C      -0.639757     -5.818627      3.421226
  C      -1.396984     -6.503957      2.280714
  H      -0.017972     -6.541550      3.973390
  H       0.038767     -5.051725      3.012202
  H      -0.985254     -7.501605      2.059615
  H      -1.333375     -5.907138      1.367528
  H      -5.128055     -8.324203      3.638674
  H      -4.349650     -8.110897      5.221035
  H      -2.865930     -8.748690      3.008903
  H      -2.230510     -7.720292      4.320986
  H      -2.911496     -5.368788     -0.098493
  H      -4.592458     -5.034044      0.367177
  H      -3.336795     -7.508681      0.756323
  H      -4.706324     -6.933154      1.749520
  C      -2.456391     -3.267460      1.352201
  C      -2.079580     -2.943525      0.022222
  C      -1.485227     -1.726326     -0.244681
  C      -1.285726     -0.772446      0.780911
  C      -1.623577     -1.073065      2.083041
  C      -2.149934     -2.346005      2.403269
  N      -2.548391     -2.736446      3.655991
  C      -2.119624     -2.104020      4.757976
  C      -0.847853     -1.511089      5.058282
  O      -0.584859     -0.804259      6.003419
  Cl      0.577254     -2.078603      3.994921
  C      -6.074361     -6.037631      4.585090
  C      -6.958895     -6.955541      5.189436
  C      -8.222746     -6.540376      5.579159
  C      -8.624218     -5.211168      5.369105
  C      -7.774404     -4.299096      4.757882
  C      -6.487569     -4.696667      4.341067
  N      -5.547461     -3.919586      3.659749
  C      -5.932187     -2.615453      3.455121
  C      -5.488800     -1.796394      2.373024
  O      -4.871802     -1.994860      1.362310
  Cl     -6.336383     -0.106338      2.573591
  C      -1.208226     -4.880562      5.573774
  C       0.115435     -4.935628      6.085814
  C       0.355242     -4.553476      7.389197
  C      -0.697434     -4.091879      8.220075
  C      -1.991877     -4.034635      7.750793
  C      -2.272579     -4.440111      6.425070
  N      -3.502569     -4.422888      5.840466
  C      -4.643888     -4.339448      6.606293
  C      -4.873437     -5.216502      7.686761
  O      -4.244153     -6.159298      8.124579
  Cl     -6.504602     -4.774303      8.516871
  H      -2.298102     -3.626186     -0.797216
  H      -1.211745     -1.477254     -1.271350
  H      -0.890551      0.213811      0.536185
  H      -1.517161     -0.326684      2.869009
  H      -2.778651     -2.124531      5.624643
  H      -6.637071     -7.977416      5.385246
  H      -8.895989     -7.243205      6.070781
  H      -9.613129     -4.884808      5.693373
  H      -8.121036     -3.279550      4.601926
  H      -6.514629     -2.106784      4.223930
  H       0.941014     -5.239471      5.444174
  H       1.374853     -4.573418      7.776395
  H      -0.473195     -3.752288      9.231894
  H      -2.805044     -3.659956      8.372070
  H      -5.446901     -3.686978      6.282127
  N      -7.907639     -3.835654      1.516250
  N      -7.673322     -2.832326      2.032670
  H      -8.120281     -1.875850      1.953518
74
Coordinates from ORCA-job orca E -7353.202370800098
  N      -3.147319     -4.358390      1.744724
  C      -3.601840     -5.328954      0.755227
  C      -3.683729     -6.707281      1.431058
  N      -2.833703     -6.652215      2.643361
  C      -3.012353     -7.803885      3.556593
  C      -4.388575     -7.720273      4.191842
  N      -4.800319     -6.321073      4.176383
  Mo     -3.544738     -4.789654      3.730586
  N      -1.609229     -5.225987      4.331047
  C      -0.639544     -5.819433      3.421715
  C      -1.396990     -6.504465      2.281122
  H      -0.017982     -6.542497      3.973939
  H       0.039163     -5.052746      3.012583
  H      -0.985180     -7.502062      2.059936
  H      -1.333029     -5.907345      1.368180
  H      -5.128077     -8.324874      3.639492
  H      -4.349316     -8.111284      5.221575
  H      -2.865613     -8.748813      3.008350
  H      -2.230182     -7.720730      4.320828
  H      -2.908498     -5.369573     -0.097694
  H      -4.589863     -5.034197      0.364736
  H      -3.338882     -7.509762      0.757574
  H      -4.706911     -6.930661      1.750397
  C      -2.456149     -3.267365      1.351970
  C      -2.079582     -2.943275      0.021998
  C      -1.485418     -1.725945     -0.244757
  C      -1.285790     -0.772107      0.780831
  C      -1.623487     -1.072753      2.083015
  C      -2.149749     -2.345771      2.403006
  N      -2.548144     -2.736489      3.655638
  C      -2.119415     -2.104287      4.757732
  C      -0.847679     -1.511209      5.058128
  O      -0.584991     -0.804479      6.003449
  Cl      0.577308     -2.078334      3.994802
  C      -6.074035     -6.038148      4.585158
  C      -6.958670     -6.956002      5.189612
  C      -8.222305     -6.540782      5.579582
  C      -8.623808     -5.211497      5.369701
  C      -7.774285     -4.299513      4.758140
  C      -6.487379     -4.697113      4.341291
  N      -5.547400     -3.920137      3.659524
  C      -5.932622     -2.616363      3.454028
  C      -5.489531     -1.797291      2.371844
  O      -4.871935     -1.994969      1.361273
  Cl     -6.339585     -0.108089      2.571633
  C      -1.207866     -4.880476      5.574044
  C       0.115741     -4.935574      6.086244
  C       0.355228     -4.553278      7.389627
  C      -0.697640     -4.091615      8.220246
  C      -1.992022     -4.034253      7.750822
  C      -2.272436     -4.439756      6.425030
  N      -3.502187     -4.422598      5.840122
  C      -4.643777     -4.339271      6.605801
  C      -4.873525     -5.217049      7.685497
  O      -4.244669     -6.160431      8.122594
  Cl     -6.504500     -4.774399      8.516448
  H      -2.298014     -3.625784     -0.797596
  H      -1.212179     -1.476773     -1.271470
  H      -0.890646      0.214155      0.536076
  H      -1.517086     -0.326556      2.869150
  H      -2.778347     -2.124833      5.624451
  H      -6.636654     -7.977888      5.385088
  H      -8.895781     -7.243317      6.071310
  H      -9.612506     -4.885295      5.694778
  H      -8.120594     -3.279944      4.601718
  H      -6.515102     -2.107756      4.222862
  H       0.941255     -5.239634      5.444620
  H       1.374668     -4.573109      7.777284
  H      -0.473465     -3.752076      9.232102
  H      -2.805305     -3.659579      8.371949
  H      -5.446157     -3.685904      6.281890
  N      -7.913953     -3.830315      1.513401
  N      -7.675885     -2.829586      2.032903
  H      -8.119772     -1.871073      1.958072
74
Coordinates from ORCA-job orca E -7353.202372874659
  N      -3.147347     -4.357931      1.744870
  C      -3.601562     -5.328847      0.755369
  C      -3.683691     -6.706911      1.431550
  N      -2.833687     -6.651958      2.643716
  C      -3.011990     -7.804028      3.556681
  C      -4.388074     -7.720731      4.192407
  N      -4.799890     -6.321557      4.176839
  Mo     -3.544405     -4.789928      3.730682
  N      -1.608882     -5.226118      4.331602
  C      -0.639321     -5.820768      3.422845
  C      -1.396971     -6.504154      2.281439
  H      -0.019280     -6.544908      3.975399
  H       0.040873     -5.055036      3.014396
  H      -0.985083     -7.501402      2.058823
  H      -1.332913     -5.905637      1.369437
  H      -5.127672     -8.325601      3.640526
  H      -4.348173     -8.111643      5.222163
  H      -2.865510     -8.748507      3.007579
  H      -2.229334     -7.721180      4.320381
  H      -2.908017     -5.369147     -0.097398
  H      -4.589531     -5.034722      0.364298
  H      -3.339693     -7.510083      0.758394
  H      -4.706997     -6.929880      1.750853
  C      -2.456460     -3.267027      1.351562
  C      -2.080605     -2.942718      0.021513
  C      -1.486322     -1.725398     -0.245146
  C      -1.285862     -0.771829      0.780454
  C      -1.623088     -1.072536      2.082792
  C      -2.149495     -2.345496      2.402660
  N      -2.547518     -2.736462      3.655284
  C      -2.118189     -2.104659      4.757357
  C      -0.846102     -1.512005      5.057359
  O      -0.583067     -0.805287      6.002611
  Cl      0.578183     -2.079806      3.993817
  C      -6.073622     -6.038536      4.585296
  C      -6.958399     -6.956401      5.189577
  C      -8.222085     -6.541276      5.579339
  C      -8.623736     -5.212006      5.369557
  C      -7.774054     -4.299935      4.758384
  C      -6.487127     -4.697439      4.341613
  N      -5.547235     -3.920415      3.659592
  C      -5.932990     -2.616978      3.453733
  C      -5.490311     -1.797239      2.371912
  O      -4.871809     -1.993803      1.361595
  Cl     -6.342721     -0.109180      2.571383
  C      -1.207667     -4.880254      5.574467
  C       0.115849     -4.935620      6.086984
  C       0.355006     -4.553285      7.390376
  C      -0.698023     -4.091406      8.220720
  C      -1.992285     -4.033724      7.751037
  C      -2.272398     -4.439151      6.425109
  N      -3.501905     -4.421875      5.839917
  C      -4.643823     -4.338548      6.605308
  C      -4.873945     -5.216960      7.684279
  O      -4.245705     -6.161035      8.120726
  Cl     -6.504849     -4.773899      8.515701
  H      -2.299694     -3.624781     -0.798282
  H      -1.213706     -1.476026     -1.271982
  H      -0.890466      0.214313      0.535622
  H      -1.516278     -0.326530      2.869044
  H      -2.776911     -2.124733      5.624233
  H      -6.636257     -7.978243      5.385117
  H      -8.895824     -7.243766      6.070789
  H      -9.612430     -4.886071      5.694887
  H      -8.120100     -3.280348      4.601514
  H      -6.515903     -2.108545      4.222385
  H       0.941309     -5.239992      5.445435
  H       1.374287     -4.573267      7.778454
  H      -0.474030     -3.752028      9.232673
  H      -2.805684     -3.658936      8.371945
  H      -5.445421     -3.684025      6.281803
  N      -7.917036     -3.828073      1.510852
  N      -7.677247     -2.828832      2.032287
  H      -8.119637     -1.869288      1.959717
