71
Coordinates from ORCA-job orca E -7243.090914893276
  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
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  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
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  H      -3.094947     -4.962130     -0.134012
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  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
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  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
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  C      -5.398691     -1.741090      2.431255
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  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
71
Coordinates from ORCA-job orca E -7243.113370676705
  N      -3.271885     -4.094511      1.751058
  C      -3.787528     -4.920727      0.666979
  C      -4.040939     -6.319059      1.233870
  N      -3.176206     -6.468069      2.422526
  C      -3.482896     -7.730646      3.154818
  C      -4.064267     -7.376065      4.526741
  N      -4.678528     -6.072314      4.362011
  Mo     -3.588875     -4.572328      3.636888
  N      -1.836589     -5.292371      4.208312
  C      -0.955686     -6.060378      3.328322
  C      -1.737249     -6.422652      2.062577
  H      -0.624157     -6.966335      3.857735
  H      -0.067962     -5.463849      3.072019
  H      -1.414360     -7.395096      1.664619
  H      -1.561894     -5.671315      1.289171
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  H      -3.279588     -7.321497      5.297078
  H      -4.218581     -8.306343      2.581440
  H      -2.580529     -8.340903      3.265708
  H      -3.070336     -4.966474     -0.163285
  H      -4.714376     -4.463812      0.287505
  H      -3.810341     -7.093778      0.485875
  H      -5.083154     -6.431860      1.555734
  C      -2.633793     -2.943486      1.398309
  C      -2.315178     -2.505906      0.092268
  C      -1.687905     -1.291328     -0.086680
  C      -1.394741     -0.456970      1.010413
  C      -1.693412     -0.861764      2.293024
  C      -2.269571     -2.132145      2.512373
  N      -2.673677     -2.622291      3.731765
  C      -2.158370     -2.066581      4.855697
  C      -0.805675     -1.693672      5.113975
  O      -0.378180     -1.039341      6.042319
  Cl      0.432644     -2.486168      4.021494
  C      -5.941959     -5.846805      4.808375
  C      -6.756863     -6.703505      5.576860
  C      -8.047082     -6.318367      5.892308
  C      -8.563167     -5.093582      5.442034
  C      -7.771433     -4.226201      4.708341
  C      -6.443185     -4.576344      4.411893
  N      -5.549816     -3.806013      3.672432
  C      -5.894211     -2.491262      3.560186
  C      -5.638329     -1.680148      2.430713
  O      -5.358417     -1.990530      1.290696
  Cl     -5.949018      0.079822      2.802993
  C      -1.421479     -5.128338      5.493411
  C      -0.149261     -5.468197      6.010263
  C       0.158129     -5.174854      7.320744
  C      -0.770399     -4.511606      8.149643
  C      -2.022661     -4.190291      7.680111
  C      -2.394264     -4.536513      6.360271
  N      -3.596698     -4.241918      5.769840
  C      -4.669030     -3.885041      6.507770
  C      -5.025128     -4.466380      7.763020
  O      -4.601552     -5.436896      8.347674
  Cl     -6.472831     -3.586624      8.464277
  H      -2.587832     -3.094285     -0.778485
  H      -1.449853     -0.953036     -1.092997
  H      -0.951774      0.522162      0.843217
  H      -1.517997     -0.200214      3.137278
  H      -2.822260     -1.930464      5.709442
  H      -6.380031     -7.656089      5.938725
  H      -8.672888     -6.978423      6.489063
  H      -9.591755     -4.823729      5.669761
  H      -8.186893     -3.293157      4.336202
  H      -6.516840     -2.044051      4.334858
  H       0.606009     -5.914646      5.370717
  H       1.143353     -5.419965      7.711440
  H      -0.484494     -4.230247      9.160387
  H      -2.717011     -3.632613      8.300241
  H      -5.364061     -3.166518      6.089995
71
Coordinates from ORCA-job orca E -7243.122600452498
  N      -3.274564     -4.074435      1.731970
  C      -3.803662     -4.912353      0.654303
  C      -4.045367     -6.316044      1.220801
  N      -3.177369     -6.481908      2.416368
  C      -3.496079     -7.751458      3.150122
  C      -4.087498     -7.410105      4.522695
  N      -4.710635     -6.105971      4.369089
  Mo     -3.590577     -4.584141      3.648072
  N      -1.814125     -5.313879      4.237259
  C      -0.940673     -6.084395      3.338568
  C      -1.727291     -6.432820      2.069536
  H      -0.605938     -6.998138      3.858854
  H      -0.047998     -5.491756      3.078442
  H      -1.406314     -7.405096      1.660468
  H      -1.558111     -5.672859      1.301933
  H      -4.816051     -8.174329      4.825989
  H      -3.302369     -7.364106      5.294960
  H      -4.227683     -8.322486      2.562150
  H      -2.589269     -8.362344      3.255629
  H      -3.089999     -4.954673     -0.183044
  H      -4.740360     -4.466460      0.277832
  H      -3.819338     -7.092020      0.467143
  H      -5.083687     -6.435661      1.553330
  C      -2.640921     -2.913428      1.380913
  C      -2.342257     -2.475989      0.067311
  C      -1.723283     -1.252108     -0.120327
  C      -1.420048     -0.412050      0.978943
  C      -1.700464     -0.821289      2.268576
  C      -2.269686     -2.098245      2.493892
  N      -2.650829     -2.600084      3.724946
  C      -2.116685     -2.048857      4.852030
  C      -0.765750     -1.643513      5.109070
  O      -0.367220     -0.998493      6.061671
  Cl      0.518173     -2.337182      3.959095
  C      -5.980534     -5.867500      4.809335
  C      -6.802775     -6.728528      5.572596
  C      -8.100554     -6.341715      5.882244
  C      -8.612265     -5.108934      5.431035
  C      -7.810258     -4.236567      4.701648
  C      -6.477426     -4.587733      4.413528
  N      -5.570433     -3.806878      3.679520
  C      -5.907391     -2.480586      3.537826
  C      -5.579169     -1.707659      2.397915
  O      -5.183210     -2.054509      1.293086
  Cl     -5.846287      0.090707      2.720936
  C      -1.401735     -5.145648      5.529952
  C      -0.126870     -5.493276      6.043365
  C       0.189098     -5.192845      7.355871
  C      -0.737614     -4.517397      8.187911
  C      -1.994827     -4.191160      7.719907
  C      -2.373095     -4.541372      6.400070
  N      -3.588416     -4.244058      5.815630
  C      -4.666333     -3.880748      6.552602
  C      -5.032274     -4.462100      7.813603
  O      -4.594114     -5.430301      8.404808
  Cl     -6.499027     -3.577354      8.506611
  H      -2.626596     -3.072687     -0.801595
  H      -1.501765     -0.911190     -1.136164
  H      -0.985968      0.576373      0.805920
  H      -1.516684     -0.157573      3.115269
  H      -2.767730     -1.954148      5.719692
  H      -6.424115     -7.686906      5.935270
  H      -8.733336     -7.006824      6.476936
  H      -9.646854     -4.834686      5.655017
  H      -8.220753     -3.295407      4.329374
  H      -6.544429     -2.007859      4.289991
  H       0.625527     -5.948672      5.396366
  H       1.181502     -5.440169      7.743741
  H      -0.445451     -4.228845      9.201194
  H      -2.687900     -3.626258      8.344643
  H      -5.365044     -3.167900      6.120463
71
Coordinates from ORCA-job orca E -7243.126405245819
  N      -3.269178     -4.049147      1.720680
  C      -3.792532     -4.889020      0.644628
  C      -4.030923     -6.293914      1.203362
  N      -3.173039     -6.477205      2.404618
  C      -3.509524     -7.750197      3.127316
  C      -4.111565     -7.424568      4.498005
  N      -4.739078     -6.124226      4.358110
  Mo     -3.594951     -4.588971      3.652108
  N      -1.805366     -5.321565      4.259362
  C      -0.937404     -6.091307      3.357597
  C      -1.716999     -6.421796      2.081416
  H      -0.607356     -7.010170      3.870962
  H      -0.038692     -5.505867      3.103246
  H      -1.393932     -7.387337      1.659476
  H      -1.550898     -5.649471      1.325512
  H      -4.837814     -8.195239      4.790572
  H      -3.328210     -7.386116      5.272020
  H      -4.233659     -8.309501      2.519724
  H      -2.604354     -8.363097      3.228654
  H      -3.072789     -4.926826     -0.187512
  H      -4.729449     -4.451871      0.261125
  H      -3.805648     -7.067420      0.448034
  H      -5.067939     -6.418752      1.537526
  C      -2.626129     -2.893731      1.381576
  C      -2.313230     -2.461051      0.070298
  C      -1.697870     -1.235031     -0.112773
  C      -1.411145     -0.390354      0.988066
  C      -1.700161     -0.798917      2.275109
  C      -2.268563     -2.075606      2.494997
  N      -2.636706     -2.585161      3.722398
  C      -2.083014     -2.061786      4.846884
  C      -0.729947     -1.667565      5.089288
  O      -0.312453     -1.087752      6.071437
  Cl      0.529961     -2.353460      3.893756
  C      -5.998675     -5.869391      4.812486
  C      -6.817427     -6.725223      5.583967
  C      -8.107155     -6.327564      5.912705
  C      -8.611396     -5.086624      5.476499
  C      -7.811590     -4.219404      4.738969
  C      -6.487622     -4.582095      4.430882
  N      -5.585668     -3.808644      3.685403
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  C      -5.633449     -1.778612      2.328003
  O      -5.330354     -2.182342      1.214867
  Cl     -5.951151      0.035945      2.559478
  C      -1.399215     -5.145102      5.549803
  C      -0.124730     -5.490838      6.062703
  C       0.194619     -5.178022      7.371580
  C      -0.732423     -4.499598      8.200452
  C      -1.991577     -4.179335      7.733000
  C      -2.368432     -4.533930      6.416117
  N      -3.587572     -4.247629      5.839197
  C      -4.667682     -3.890785      6.569152
  C      -5.029940     -4.474788      7.829018
  O      -4.557466     -5.414615      8.435194
  Cl     -6.540049     -3.634009      8.493497
  H      -2.589742     -3.060726     -0.796826
  H      -1.471574     -0.894898     -1.126125
  H      -0.985856      0.600448      0.816945
  H      -1.524555     -0.136023      3.122866
  H      -2.707684     -2.022850      5.737814
  H      -6.439532     -7.684973      5.939174
  H      -8.735574     -6.987566      6.514746
  H      -9.637055     -4.801060      5.718960
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  H      -6.523897     -1.985102      4.273830
  H       0.623346     -5.950516      5.416033
  H       1.188458     -5.417045      7.756497
  H      -0.439843     -4.203505      9.209759
  H      -2.686847     -3.618880      8.357489
  H      -5.384061     -3.209960      6.116650
71
Coordinates from ORCA-job orca E -7243.127976362191
  N      -3.263926     -4.037630      1.713914
  C      -3.769928     -4.884409      0.641028
  C      -4.008885     -6.285324      1.196497
  N      -3.164861     -6.477051      2.402545
  C      -3.518513     -7.750397      3.113882
  C      -4.136113     -7.436152      4.477678
  N      -4.766376     -6.141710      4.342964
  Mo     -3.599001     -4.599560      3.657354
  N      -1.802541     -5.334839      4.282353
  C      -0.939539     -6.105015      3.385185
  C      -1.706815     -6.415371      2.101462
  H      -0.620270     -7.029868      3.893404
  H      -0.031561     -5.530718      3.140399
  H      -1.379679     -7.372655      1.666168
  H      -1.541858     -5.629659      1.359199
  H      -4.860050     -8.213695      4.757560
  H      -3.359072     -7.401048      5.257957
  H      -4.232600     -8.299723      2.486936
  H      -2.616527     -8.365767      3.217550
  H      -3.039891     -4.922015     -0.181545
  H      -4.704315     -4.458671      0.243271
  H      -3.782595     -7.059933      0.444242
  H      -5.046549     -6.412240      1.528375
  C      -2.625995     -2.884292      1.383404
  C      -2.308480     -2.449085      0.074003
  C      -1.712255     -1.215501     -0.105286
  C      -1.448722     -0.364224      0.994372
  C      -1.736209     -0.775707      2.278332
  C      -2.284670     -2.059927      2.495380
  N      -2.622788     -2.580872      3.719392
  C      -2.050689     -2.086276      4.837480
  C      -0.694488     -1.701273      5.064464
  O      -0.257799     -1.126208      6.035731
  Cl      0.534116     -2.338093      3.804630
  C      -6.015891     -5.874998      4.802109
  C      -6.836362     -6.726815      5.573571
  C      -8.118221     -6.319365      5.912933
  C      -8.611010     -5.070386      5.492788
  C      -7.809439     -4.207442      4.756440
  C      -6.494760     -4.582950      4.432375
  N      -5.595069     -3.815860      3.690803
  C      -5.927159     -2.499264      3.508742
  C      -5.682306     -1.825121      2.295856
  O      -5.365845     -2.241899      1.196969
  Cl     -5.890584      0.012801      2.521739
  C      -1.401791     -5.151612      5.567138
  C      -0.127563     -5.495214      6.079774
  C       0.197211     -5.167154      7.381816
  C      -0.726062     -4.481435      8.204933
  C      -1.986210     -4.167692      7.739296
  C      -2.366344     -4.533163      6.428418
  N      -3.584623     -4.252476      5.857665
  C      -4.662086     -3.887770      6.580334
  C      -5.030127     -4.469112      7.837328
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  Cl     -6.563342     -3.647305      8.472769
  H      -2.572430     -3.052494     -0.791244
  H      -1.487577     -0.873087     -1.115823
  H      -1.044958      0.633198      0.823386
  H      -1.574133     -0.112038      3.126225
  H      -2.647744     -2.096146      5.747462
  H      -6.462311     -7.688742      5.920585
  H      -8.746371     -6.975063      6.515947
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  H      -6.489707     -1.979100      4.283700
  H       0.614239     -5.962321      5.434880
  H       1.191758     -5.398392      7.763343
  H      -0.430811     -4.174464      9.207863
  H      -2.679844     -3.606717      8.361366
  H      -5.383534     -3.227572      6.111350
71
Coordinates from ORCA-job orca E -7243.128518224188
  N      -3.259612     -4.037298      1.711756
  C      -3.747394     -4.892910      0.639279
  C      -3.990123     -6.289627      1.197383
  N      -3.153422     -6.481258      2.406791
  C      -3.517452     -7.753972      3.113169
  C      -4.147381     -7.440875      4.470373
  N      -4.776702     -6.147771      4.331198
  Mo     -3.593591     -4.609144      3.660486
  N      -1.798084     -5.347851      4.295550
  C      -0.938000     -6.125008      3.405758
  C      -1.695071     -6.419500      2.115375
  H      -0.634700     -7.056330      3.913003
  H      -0.018621     -5.564194      3.170336
  H      -1.366006     -7.372108      1.670618
  H      -1.525586     -5.624903      1.383633
  H      -4.871511     -8.221590      4.742707
  H      -3.376962     -7.405551      5.257665
  H      -4.226497     -8.299231      2.476995
  H      -2.618929     -8.373639      3.223490
  H      -3.007618     -4.933287     -0.174912
  H      -4.678911     -4.475228      0.226422
  H      -3.764152     -7.068178      0.448701
  H      -5.029740     -6.413196      1.525477
  C      -2.642732     -2.875157      1.382621
  C      -2.342824     -2.425773      0.072602
  C      -1.771875     -1.180642     -0.104215
  C      -1.514770     -0.329935      0.996723
  C      -1.780745     -0.754342      2.280275
  C      -2.302250     -2.050397      2.494787
  N      -2.606262     -2.584847      3.718792
  C      -2.019733     -2.101142      4.830182
  C      -0.659617     -1.715019      5.044427
  O      -0.209034     -1.151608      6.014499
  Cl      0.559517     -2.413279      3.808417
  C      -6.020686     -5.871465      4.793873
  C      -6.847593     -6.718353      5.564474
  C      -8.124579     -6.300713      5.906478
  C      -8.607034     -5.046490      5.490768
  C      -7.800301     -4.188784      4.755723
  C      -6.489860     -4.575577      4.425722
  N      -5.584882     -3.816799      3.688802
  C      -5.900058     -2.497713      3.494524
  C      -5.640141     -1.836319      2.277745
  O      -5.332759     -2.260505      1.181446
  Cl     -5.939339     -0.002995      2.463542
  C      -1.399187     -5.159436      5.577976
  C      -0.124600     -5.501070      6.093543
  C       0.199982     -5.167460      7.393553
  C      -0.723676     -4.479776      8.213280
  C      -1.983940     -4.169819      7.746477
  C      -2.364262     -4.540089      6.436464
  N      -3.580381     -4.259622      5.864348
  C      -4.659724     -3.892059      6.583284
  C      -5.032589     -4.472233      7.839368
  O      -4.554160     -5.389550      8.465797
  Cl     -6.565941     -3.646526      8.468253
  H      -2.602725     -3.029328     -0.793977
  H      -1.561772     -0.828746     -1.114896
  H      -1.133526      0.676695      0.826606
  H      -1.622719     -0.093562      3.131668
  H      -2.599697     -2.125847      5.750377
  H      -6.480174     -7.684486      5.907691
  H      -8.757668     -6.952448      6.509072
  H      -9.620418     -4.741176      5.751123
  H      -8.182434     -3.225208      4.421518
  H      -6.447591     -1.961306      4.269913
  H       0.616056     -5.973252      5.450879
  H       1.194752     -5.396692      7.776325
  H      -0.429173     -4.169112      9.215545
  H      -2.678671     -3.608954      8.367449
  H      -5.381173     -3.236022      6.109609
71
Coordinates from ORCA-job orca E -7243.128622553953
  N      -3.259783     -4.039591      1.712241
  C      -3.728010     -4.900378      0.635879
  C      -3.978277     -6.293342      1.196844
  N      -3.145999     -6.483160      2.409250
  C      -3.514377     -7.757131      3.110590
  C      -4.154108     -7.444510      4.462623
  N      -4.783262     -6.151415      4.318179
  Mo     -3.592090     -4.617532      3.662067
  N      -1.800191     -5.357705      4.303016
  C      -0.940702     -6.142354      3.420929
  C      -1.687781     -6.420959      2.122955
  H      -0.655520     -7.080433      3.927507
  H      -0.009845     -5.595164      3.196902
  H      -1.356150     -7.368314      1.667998
  H      -1.512476     -5.617087      1.402830
  H      -4.877763     -8.228034      4.729279
  H      -3.389746     -7.407443      5.256095
  H      -4.219985     -8.300969      2.469232
  H      -2.618382     -8.379896      3.227234
  H      -2.975932     -4.944020     -0.167518
  H      -4.653921     -4.486661      0.205148
  H      -3.753297     -7.075506      0.451070
  H      -5.020441     -6.410888      1.519715
  C      -2.653547     -2.873060      1.384492
  C      -2.358917     -2.414159      0.075394
  C      -1.790412     -1.167508     -0.096606
  C      -1.525438     -0.323042      1.007218
  C      -1.783926     -0.755303      2.289568
  C      -2.308530     -2.051620      2.498385
  N      -2.601018     -2.590273      3.721353
  C      -2.001821     -2.108951      4.824027
  C      -0.646925     -1.680762      5.001048
  O      -0.178142     -1.096907      5.949624
  Cl      0.534840     -2.280934      3.684032
  C      -6.021484     -5.868965      4.791380
  C      -6.851294     -6.712159      5.564269
  C      -8.121817     -6.284584      5.915887
  C      -8.597049     -5.025133      5.506349
  C      -7.788996     -4.171796      4.768805
  C      -6.482978     -4.568448      4.428061
  N      -5.576827     -3.819300      3.687368
  C      -5.878490     -2.496724      3.487065
  C      -5.630247     -1.841837      2.263961
  O      -5.355356     -2.269951      1.161515
  Cl     -5.982951     -0.014975      2.433907
  C      -1.402987     -5.168160      5.585703
  C      -0.129093     -5.509266      6.106221
  C       0.190550     -5.178576      7.407906
  C      -0.737103     -4.494903      8.226258
  C      -1.996004     -4.185747      7.755670
  C      -2.371565     -4.552454      6.442158
  N      -3.584183     -4.270319      5.864713
  C      -4.667842     -3.906930      6.582166
  C      -5.040552     -4.488816      7.837617
  O      -4.564136     -5.406530      8.465374
  Cl     -6.574216     -3.665055      8.466177
  H      -2.619333     -3.014302     -0.794201
  H      -1.583527     -0.810144     -1.106611
  H      -1.144694      0.684781      0.839890
  H      -1.620094     -0.101142      3.145885
  H      -2.556372     -2.151420      5.759177
  H      -6.489556     -7.683306      5.900796
  H      -8.757450     -6.933212      6.520119
  H      -9.606889     -4.712747      5.774133
  H      -8.165710     -3.203960      4.439552
  H      -6.404592     -1.948073      4.269671
  H       0.613437     -5.982519      5.465836
  H       1.184054     -5.409124      7.794580
  H      -0.447226     -4.187992      9.231577
  H      -2.694722     -3.629010      8.376754
  H      -5.389862     -3.249784      6.110413
71
Coordinates from ORCA-job orca E -7243.129092982304
  N      -3.262594     -4.041536      1.709814
  C      -3.723217     -4.903291      0.630368
  C      -3.977946     -6.294481      1.194422
  N      -3.144450     -6.481719      2.407653
  C      -3.509859     -7.757139      3.108622
  C      -4.153051     -7.444218      4.459104
  N      -4.783774     -6.150974      4.311022
  Mo     -3.593317     -4.618830      3.659757
  N      -1.801929     -5.356429      4.300078
  C      -0.941648     -6.144749      3.420567
  C      -1.686387     -6.417920      2.119934
  H      -0.663849     -7.085006      3.927618
  H      -0.006520     -5.603182      3.200532
  H      -1.353141     -7.362366      1.659881
  H      -1.510240     -5.609614      1.405013
  H      -4.875886     -8.228890      4.724501
  H      -3.391405     -7.404628      5.254999
  H      -4.214050     -8.303184      2.467515
  H      -2.613436     -8.378921      3.227835
  H      -2.964559     -4.948867     -0.167062
  H      -4.645379     -4.489775      0.190310
  H      -3.754766     -7.078662      0.450157
  H      -5.020751     -6.407983      1.516366
  C      -2.656012     -2.875166      1.381524
  C      -2.361563     -2.416167      0.072127
  C      -1.794356     -1.169018     -0.100507
  C      -1.530284     -0.322894      1.002958
  C      -1.787682     -0.755315      2.285685
  C      -2.309051     -2.053400      2.495251
  N      -2.604850     -2.590311      3.719325
  C      -2.014393     -2.103675      4.824650
  C      -0.660994     -1.670154      5.008807
  O      -0.198869     -1.089923      5.963181
  Cl      0.538117     -2.331977      3.740025
  C      -6.020716     -5.868715      4.790511
  C      -6.850086     -6.711939      5.564514
  C      -8.118134     -6.281441      5.921971
  C      -8.592315     -5.019771      5.515721
  C      -7.785277     -4.166878      4.776433
  C      -6.480463     -4.565896      4.431051
  N      -5.575449     -3.820636      3.685604
  C      -5.875417     -2.496732      3.483751
  C      -5.651269     -1.846353      2.253722
  O      -5.373267     -2.273977      1.151005
  Cl     -5.928711     -0.007867      2.441271
  C      -1.402286     -5.164702      5.583049
  C      -0.127336     -5.502906      6.103504
  C       0.190794     -5.174407      7.406444
  C      -0.739531     -4.495055      8.226074
  C      -1.998755     -4.187078      7.754774
  C      -2.372479     -4.551953      6.439706
  N      -3.585035     -4.271502      5.860068
  C      -4.669266     -3.910680      6.580228
  C      -5.036518     -4.491835      7.837581
  O      -4.560372     -5.412644      8.462531
  Cl     -6.565237     -3.665248      8.474760
  H      -2.622416     -3.016695     -0.797466
  H      -1.588701     -0.811538     -1.110911
  H      -1.151902      0.685786      0.834609
  H      -1.626799     -0.100433      3.142116
  H      -2.575118     -2.140609      5.756631
  H      -6.489726     -7.685086      5.897074
  H      -8.753673     -6.929604      6.527060
  H      -9.600886     -4.706047      5.787322
  H      -8.161353     -3.198171      4.448571
  H      -6.386870     -1.943096      4.272630
  H       0.616283     -5.974893      5.463028
  H       1.184239     -5.404675      7.793870
  H      -0.451667     -4.190956      9.232996
  H      -2.699786     -3.633748      8.376817
  H      -5.391438     -3.249247      6.114052
71
Coordinates from ORCA-job orca E -7243.129236326616
  N      -3.265323     -4.043906      1.711530
  C      -3.718317     -4.906834      0.629182
  C      -3.978402     -6.295787      1.196117
  N      -3.143923     -6.482879      2.409976
  C      -3.509178     -7.759345      3.109982
  C      -4.158986     -7.447057      4.457673
  N      -4.788737     -6.153038      4.305617
  Mo     -3.593309     -4.623710      3.663266
  N      -1.801604     -5.361304      4.302716
  C      -0.942785     -6.154852      3.425316
  C      -1.685603     -6.419288      2.122203
  H      -0.674982     -7.097884      3.932619
  H      -0.001956     -5.621926      3.209483
  H      -1.352375     -7.360140      1.655100
  H      -1.508508     -5.605080      1.414329
  H      -4.883582     -8.231713      4.718262
  H      -3.402750     -7.407356      5.258513
  H      -4.210438     -8.306291      2.466536
  H      -2.612815     -8.380267      3.232470
  H      -2.951966     -4.954643     -0.160803
  H      -4.635630     -4.494200      0.178534
  H      -3.759163     -7.082471      0.453664
  H      -5.021258     -6.404019      1.519326
  C      -2.660172     -2.876498      1.384364
  C      -2.369943     -2.415843      0.074572
  C      -1.808230     -1.166562     -0.098954
  C      -1.547276     -0.318083      1.003957
  C      -1.800806     -0.751777      2.286869
  C      -2.311784     -2.054172      2.497778
  N      -2.602394     -2.593777      3.723244
  C      -2.016990     -2.109586      4.831407
  C      -0.663854     -1.674726      5.023575
  O      -0.213966     -1.068292      5.967123
  Cl      0.547440     -2.347388      3.772162
  C      -6.027457     -5.870847      4.782407
  C      -6.862424     -6.715515      5.548447
  C      -8.130596     -6.282342      5.902447
  C      -8.599072     -5.016655      5.500344
  C      -7.786847     -4.162773      4.768129
  C      -6.482022     -4.565052      4.426345
  N      -5.570734     -3.821190      3.689186
  C      -5.862485     -2.494502      3.486508
  C      -5.647799     -1.852601      2.251618
  O      -5.379692     -2.286388      1.148166
  Cl     -5.912270     -0.010232      2.434611
  C      -1.396887     -5.166317      5.584440
  C      -0.120163     -5.502223      6.100882
  C       0.202589     -5.169253      7.401760
  C      -0.725262     -4.486758      8.221863
  C      -1.986034     -4.179868      7.753287
  C      -2.364385     -4.551110      6.441368
  N      -3.578974     -4.274600      5.862734
  C      -4.659850     -3.908625      6.587048
  C      -5.027195     -4.489897      7.843744
  O      -4.558304     -5.418362      8.463749
  Cl     -6.538607     -3.642470      8.496571
  H      -2.632066     -3.016544     -0.794314
  H      -1.607683     -0.807621     -1.109690
  H      -1.176193      0.692854      0.834359
  H      -1.645389     -0.095481      3.142802
  H      -2.580714     -2.149252      5.761516
  H      -6.506288     -7.691290      5.877342
  H      -8.770728     -6.930635      6.502150
  H      -9.607199     -4.700904      5.770521
  H      -8.157139     -3.190623      4.443967
  H      -6.363692     -1.934697      4.277513
  H       0.620950     -5.976320      5.459133
  H       1.197270     -5.397779      7.786502
  H      -0.434441     -4.179318      9.226733
  H      -2.684712     -3.624033      8.375312
  H      -5.376974     -3.237670      6.127491
71
Coordinates from ORCA-job orca E -7243.129348276219
  N      -3.268628     -4.045853      1.711662
  C      -3.708965     -4.911697      0.625875
  C      -3.975127     -6.297556      1.196058
  N      -3.141330     -6.483916      2.411592
  C      -3.508395     -7.761456      3.109360
  C      -4.167951     -7.449872      4.452574
  N      -4.795345     -6.154310      4.296639
  Mo     -3.593280     -4.629466      3.665698
  N      -1.801125     -5.364282      4.306574
  C      -0.943713     -6.165838      3.433916
  C      -1.682061     -6.420665      2.126821
  H      -0.689632     -7.111831      3.943030
  H       0.004742     -5.644379      3.224163
  H      -1.348021     -7.357391      1.652157
  H      -1.502594     -5.599595      1.427592
  H      -4.895513     -8.234020      4.706644
  H      -3.418708     -7.410886      5.259868
  H      -4.205089     -8.309209      2.461637
  H      -2.612297     -8.381530      3.237172
  H      -2.931685     -4.961936     -0.153378
  H      -4.619833     -4.501671      0.160470
  H      -3.759448     -7.087629      0.456379
  H      -5.018374     -6.399771      1.519956
  C      -2.666901     -2.876381      1.386064
  C      -2.380949     -2.413086      0.076015
  C      -1.822289     -1.162684     -0.097617
  C      -1.559931     -0.314175      1.005403
  C      -1.809610     -0.749799      2.288213
  C      -2.316788     -2.053898      2.499045
  N      -2.600186     -2.596015      3.725486
  C      -2.012910     -2.113896      4.831615
  C      -0.663669     -1.658431      5.014647
  O      -0.216826     -1.046681      5.955631
  Cl      0.548527     -2.326232      3.762255
  C      -6.032592     -5.868965      4.777495
  C      -6.871635     -6.711994      5.540325
  C      -8.135533     -6.270485      5.899760
  C      -8.595322     -4.998444      5.506043
  C      -7.779445     -4.146887      4.775438
  C      -6.479151     -4.558527      4.427710
  N      -5.563959     -3.821139      3.692016
  C      -5.844747     -2.490933      3.486147
  C      -5.644814     -1.861429      2.243665
  O      -5.391564     -2.304379      1.139826
  Cl     -5.898755     -0.014581      2.416274
  C      -1.393284     -5.164204      5.587683
  C      -0.115871     -5.496645      6.103300
  C       0.207099     -5.160453      7.403620
  C      -0.722139     -4.478592      8.222780
  C      -1.983857     -4.174409      7.754062
  C      -2.361390     -4.548487      6.442853
  N      -3.577723     -4.280202      5.862782
  C      -4.661804     -3.923496      6.589477
  C      -5.027115     -4.516589      7.840209
  O      -4.555785     -5.449912      8.451896
  Cl     -6.547489     -3.685849      8.496475
  H      -2.645074     -3.013209     -0.792644
  H      -1.625774     -0.802092     -1.108599
  H      -1.191998      0.697795      0.835264
  H      -1.654676     -0.094350      3.144879
  H      -2.567660     -2.166364      5.766306
  H      -6.521675     -7.692144      5.862933
  H      -8.779389     -6.916476      6.497967
  H      -9.599997     -4.676555      5.781931
  H      -8.141436     -3.169225      4.457880
  H      -6.329710     -1.921687      4.280709
  H       0.625184     -5.971624      5.462033
  H       1.202290     -5.386496      7.788512
  H      -0.432198     -4.170065      9.227609
  H      -2.683961     -3.620094      8.375922
  H      -5.382182     -3.252366      6.134948
71
Coordinates from ORCA-job orca E -7243.129389422844
  N      -3.272272     -4.049232      1.712527
  C      -3.700309     -4.918775      0.624186
  C      -3.972969     -6.300507      1.198521
  N      -3.139140     -6.485334      2.414970
  C      -3.507171     -7.763444      3.111621
  C      -4.178983     -7.452024      4.448856
  N      -4.802434     -6.154098      4.288919
  Mo     -3.593379     -4.634642      3.669801
  N      -1.799022     -5.364799      4.309933
  C      -0.943922     -6.174818      3.441479
  C      -1.679165     -6.422093      2.132054
  H      -0.702941     -7.122727      3.953574
  H       0.011369     -5.664558      3.236160
  H      -1.344710     -7.355035      1.650548
  H      -1.499030     -5.594535      1.440675
  H      -4.911547     -8.234134      4.694577
  H      -3.438535     -7.414892      5.264186
  H      -4.197056     -8.314129      2.459093
  H      -2.609994     -8.380189      3.246635
  H      -2.911361     -4.972211     -0.143179
  H      -4.604013     -4.511557      0.143463
  H      -3.761963     -7.094951      0.462497
  H      -5.016008     -6.395669      1.525429
  C      -2.673323     -2.878130      1.387525
  C      -2.391200     -2.415061      0.076411
  C      -1.835750     -1.163769     -0.099837
  C      -1.572911     -0.313177      1.001689
  C      -1.819691     -0.748137      2.285036
  C      -2.323128     -2.053148      2.498187
  N      -2.600223     -2.594986      3.726328
  C      -2.014127     -2.109758      4.828906
  C      -0.672580     -1.623731      5.002531
  O      -0.235668     -1.002532      5.941170
  Cl      0.546183     -2.277132      3.750089
  C      -6.040497     -5.867191      4.769163
  C      -6.886104     -6.710166      5.523585
  C      -8.147918     -6.261903      5.882738
  C      -8.597929     -4.983575      5.497493
  C      -7.775449     -4.132310      4.774120
  C      -6.478326     -4.552277      4.425632
  N      -5.556006     -3.819829      3.696789
  C      -5.823785     -2.484853      3.491298
  C      -5.638547     -1.867102      2.242081
  O      -5.405334     -2.319543      1.137215
  Cl     -5.882123     -0.015825      2.404068
  C      -1.387637     -5.162848      5.590884
  C      -0.110562     -5.494177      6.105387
  C       0.210658     -5.160688      7.407479
  C      -0.721380     -4.484289      8.227559
  C      -1.983346     -4.180097      7.758124
  C      -2.356560     -4.548929      6.444972
  N      -3.573213     -4.285029      5.863284
  C      -4.657329     -3.937288      6.596840
  C      -5.010591     -4.542193      7.843650
  O      -4.519027     -5.467635      8.451988
  Cl     -6.519495     -3.711993      8.530333
  H      -2.656889     -3.016482     -0.790749
  H      -1.642606     -0.803691     -1.111653
  H      -1.207616      0.699328      0.829366
  H      -1.665630     -0.091437      3.140982
  H      -2.560356     -2.176007      5.767264
  H      -6.543493     -7.694808      5.840297
  H      -8.797996     -6.906958      6.475142
  H      -9.600676     -4.657050      5.775003
  H      -8.127774     -3.148948      4.463068
  H      -6.291989     -1.907874      4.290302
  H       0.631224     -5.967553      5.463818
  H       1.205586     -5.386333      7.793151
  H      -0.434362     -4.180747      9.234760
  H      -2.687121     -3.631950      8.381920
  H      -5.381855     -3.263423      6.152787
71
Coordinates from ORCA-job orca E -7243.129436309131
  N      -3.271335     -4.051361      1.714114
  C      -3.700243     -4.921233      0.626242
  C      -3.974661     -6.301885      1.201347
  N      -3.140423     -6.487296      2.417277
  C      -3.509459     -7.764599      3.114735
  C      -4.184506     -7.451920      4.449966
  N      -4.804284     -6.151918      4.290380
  Mo     -3.592613     -4.635144      3.672373
  N      -1.796769     -5.363886      4.310101
  C      -0.943461     -6.176237      3.441590
  C      -1.680381     -6.425623      2.133765
  H      -0.702846     -7.123001      3.955886
  H       0.011780     -5.666884      3.234049
  H      -1.347416     -7.359637      1.653441
  H      -1.500779     -5.598906      1.441201
  H      -4.920692     -8.231226      4.693289
  H      -3.446161     -7.417455      5.267325
  H      -4.196952     -8.316987      2.461097
  H      -2.611459     -8.379488      3.252462
  H      -2.910171     -4.975996     -0.139870
  H      -4.602988     -4.513294      0.144574
  H      -3.765665     -7.097484      0.466081
  H      -5.017231     -6.394856      1.530584
  C      -2.672048     -2.880283      1.388626
  C      -2.390217     -2.419623      0.076633
  C      -1.836213     -1.167960     -0.102132
  C      -1.575246     -0.315039      0.997870
  C      -1.821963     -0.747960      2.281900
  C      -2.323023     -2.053189      2.497653
  N      -2.599717     -2.593316      3.726773
  C      -2.016637     -2.104963      4.828829
  C      -0.677740     -1.611390      5.004668
  O      -0.249732     -0.983191      5.942571
  Cl      0.548650     -2.256857      3.756140
  C      -6.043021     -5.863917      4.769161
  C      -6.891087     -6.706367      5.520827
  C      -8.152665     -6.255816      5.878752
  C      -8.599294     -4.976030      5.495313
  C      -7.773917     -4.125026      4.774590
  C      -6.477644     -4.547730      4.427241
  N      -5.552289     -3.816750      3.700339
  C      -5.815629     -2.480024      3.496709
  C      -5.630888     -1.864806      2.246350
  O      -5.405510     -2.320680      1.141221
  Cl     -5.868779     -0.012352      2.404857
  C      -1.383057     -5.160614      5.590476
  C      -0.105461     -5.490476      6.103246
  C       0.216560     -5.155731      7.405187
  C      -0.715278     -4.479772      8.225286
  C      -1.978244     -4.176849      7.756940
  C      -2.351759     -4.546954      6.444738
  N      -3.569804     -4.286142      5.863859
  C      -4.654635     -3.944568      6.600368
  C      -5.007241     -4.562435      7.840407
  O      -4.520421     -5.500197      8.433459
  Cl     -6.537678     -3.763460      8.518086
  H      -2.655347     -3.022950     -0.789316
  H      -1.643340     -0.809587     -1.114594
  H      -1.211084      0.697601      0.823938
  H      -1.669492     -0.088685      3.136173
  H      -2.564033     -2.174402      5.766179
  H      -6.551525     -7.692286      5.836734
  H      -8.805211     -6.900536      6.468802
  H      -9.601886     -4.648235      5.771927
  H      -8.123179     -3.140386      4.464344
  H      -6.280495     -1.902118      4.296821
  H       0.636404     -5.963269      5.461389
  H       1.212012     -5.380125      7.790210
  H      -0.427821     -4.175774      9.232242
  H      -2.682188     -3.629257      8.381053
  H      -5.381505     -3.270796      6.159844
71
Coordinates from ORCA-job orca E -7243.129460914402
  N      -3.269061     -4.053048      1.715352
  C      -3.702396     -4.921653      0.628426
  C      -3.976655     -6.302945      1.202444
  N      -3.142382     -6.489924      2.417782
  C      -3.512225     -7.766376      3.115911
  C      -4.187913     -7.452569      4.450410
  N      -4.805294     -6.151337      4.292088
  Mo     -3.592816     -4.635386      3.673023
  N      -1.796244     -5.363861      4.308716
  C      -0.943518     -6.175403      3.439153
  C      -1.682555     -6.429570      2.133403
  H      -0.698565     -7.120343      3.954655
  H       0.009366     -5.662960      3.228098
  H      -1.350775     -7.365970      1.656868
  H      -1.503332     -5.606144      1.436870
  H      -4.926066     -8.230039      4.693326
  H      -3.449489     -7.420191      5.267847
  H      -4.198526     -8.319972      2.462014
  H      -2.613739     -8.380251      3.255209
  H      -2.915219     -4.976593     -0.140637
  H      -4.606650     -4.511795      0.150944
  H      -3.767845     -7.097891      0.466350
  H      -5.019134     -6.396206      1.532027
  C      -2.669358     -2.882092      1.389905
  C      -2.385844     -2.422667      0.077791
  C      -1.832481     -1.170699     -0.101464
  C      -1.574083     -0.316794      0.998144
  C      -1.821907     -0.748820      2.282339
  C      -2.321924     -2.054220      2.498927
  N      -2.600440     -2.593359      3.728131
  C      -2.019338     -2.104657      4.831302
  C      -0.680660     -1.612545      5.011681
  O      -0.255900     -0.985969      5.952319
  Cl      0.548945     -2.253817      3.765352
  C      -6.044483     -5.862765      4.769294
  C      -6.893749     -6.705104      5.519798
  C      -8.155844     -6.254421      5.876024
  C      -8.601795     -4.974810      5.492188
  C      -7.774941     -4.123598      4.773119
  C      -6.478260     -4.546350      4.427707
  N      -5.552020     -3.815275      3.701069
  C      -5.815338     -2.478486      3.499102
  C      -5.625641     -1.860777      2.250292
  O      -5.397509     -2.315422      1.145450
  Cl     -5.857295     -0.008481      2.411302
  C      -1.381153     -5.158249      5.588150
  C      -0.102335     -5.485007      6.099783
  C       0.220919     -5.146572      7.400598
  C      -0.710310     -4.469553      8.220065
  C      -1.974528     -4.169598      7.752960
  C      -2.349834     -4.544505      6.442676
  N      -3.569800     -4.287931      5.863358
  C      -4.655768     -3.950878      6.600740
  C      -5.008741     -4.575979      7.837199
  O      -4.518437     -5.513030      8.428276
  Cl     -6.537472     -3.778937      8.520806
  H      -2.648836     -3.027049     -0.788092
  H      -1.638205     -0.813202     -1.113969
  H      -1.210558      0.696089      0.824138
  H      -1.671144     -0.087879      3.135581
  H      -2.569089     -2.176494      5.767412
  H      -6.555385     -7.691170      5.836470
  H      -8.809332     -6.899425      6.464758
  H      -9.605011     -4.647209      5.766814
  H      -8.124014     -3.139204      4.461957
  H      -6.282308     -1.902403      4.299248
  H       0.639786     -5.957754      5.458177
  H       1.217291     -5.368505      7.784729
  H      -0.421546     -4.162220      9.225662
  H      -2.677864     -3.620682      8.376368
  H      -5.384463     -3.278688      6.160786
71
Coordinates from ORCA-job orca E -7243.129490746895
  N      -3.266133     -4.056866      1.717550
  C      -3.704640     -4.924545      0.632249
  C      -3.980307     -6.305741      1.206204
  N      -3.145025     -6.494514      2.420197
  C      -3.515294     -7.769487      3.120074
  C      -4.195678     -7.453439      4.451556
  N      -4.809099     -6.150398      4.292897
  Mo     -3.593595     -4.636764      3.675340
  N      -1.794527     -5.363409      4.306302
  C      -0.943320     -6.174681      3.435509
  C      -1.685837     -6.435543      2.133233
  H      -0.692942     -7.116948      3.953267
  H       0.006834     -5.659215      3.218992
  H      -1.355574     -7.374992      1.661557
  H      -1.507938     -5.616492      1.431286
  H      -4.937414     -8.228147      4.692047
  H      -3.459579     -7.423675      5.271297
  H      -4.197063     -8.327088      2.464755
  H      -2.615413     -8.380127      3.264734
  H      -2.920487     -4.981335     -0.139819
  H      -4.609968     -4.512123      0.158619
  H      -3.773414     -7.100763      0.469548
  H      -5.022557     -6.397691      1.537046
  C      -2.665857     -2.886511      1.391567
  C      -2.379283     -2.429879      0.078920
  C      -1.827316     -1.177487     -0.102048
  C      -1.573685     -0.320663      0.996162
  C      -1.823644     -0.750175      2.280837
  C      -2.321394     -2.055989      2.499761
  N      -2.603023     -2.591775      3.729670
  C      -2.028042     -2.099660      4.834013
  C      -0.692598     -1.600458      5.020987
  O      -0.277273     -0.972958      5.965351
  Cl      0.546161     -2.234187      3.782914
  C      -6.049648     -5.860986      4.766123
  C      -6.902999     -6.703670      5.511724
  C      -8.166012     -6.251947      5.863761
  C      -8.608863     -4.971287      5.480904
  C      -7.777766     -4.119429      4.767193
  C      -6.480456     -4.543397      4.426011
  N      -5.550576     -3.812448      3.703302
  C      -5.811241     -2.474641      3.504502
  C      -5.616796     -1.854052      2.257408
  O      -5.387243     -2.307169      1.152507
  Cl     -5.840104     -0.001803      2.421954
  C      -1.375935     -5.154933      5.584100
  C      -0.094970     -5.476727      6.093173
  C       0.229543     -5.135950      7.393423
  C      -0.702127     -4.461786      8.214025
  C      -1.968363     -4.165994      7.749041
  C      -2.344533     -4.543196      6.439851
  N      -3.566770     -4.291375      5.863129
  C      -4.651413     -3.959365      6.606107
  C      -4.996647     -4.592982      7.840228
  O      -4.499704     -5.530775      8.424378
  Cl     -6.523422     -3.803427      8.537131
  H      -2.638445     -3.036795     -0.786377
  H      -1.630597     -0.822302     -1.114914
  H      -1.211903      0.692704      0.821107
  H      -1.676404     -0.085751      3.131972
  H      -2.581088     -2.176874      5.767952
  H      -6.568134     -7.690846      5.828613
  H      -8.822627     -6.897560      6.448401
  H      -9.612999     -4.643259      5.751762
  H      -8.124499     -3.134142      4.456168
  H      -6.278193     -1.900461      4.306035
  H       0.647867     -5.947721      5.451023
  H       1.227327     -5.354503      7.775922
  H      -0.412572     -4.153182      9.219057
  H      -2.672851     -3.619358      8.373329
  H      -5.382943     -3.286475      6.172101
71
Coordinates from ORCA-job orca E -7243.129518626246
  N      -3.262097     -4.063088      1.720039
  C      -3.705465     -4.929865      0.636260
  C      -3.984923     -6.310221      1.211136
  N      -3.147846     -6.501564      2.423321
  C      -3.518944     -7.774583      3.125175
  C      -4.210214     -7.455517      4.450455
  N      -4.817542     -6.149784      4.289357
  Mo     -3.595043     -4.640964      3.678571
  N      -1.791585     -5.363241      4.302358
  C      -0.942555     -6.175746      3.431067
  C      -1.689353     -6.444734      2.132905
  H      -0.686953     -7.114587      3.952496
  H       0.005343     -5.658739      3.207871
  H      -1.360876     -7.387708      1.666936
  H      -1.512699     -5.631076      1.424526
  H      -4.957416     -8.226645      4.685186
  H      -3.480205     -7.429156      5.275829
  H      -4.191641     -8.338999      2.466156
  H      -2.617156     -8.379787      3.280398
  H      -2.923732     -4.990405     -0.138041
  H      -4.610606     -4.514218      0.164840
  H      -3.782012     -7.105980      0.474079
  H      -5.026942     -6.398782      1.543666
  C      -2.660352     -2.894114      1.393737
  C      -2.368443     -2.441519      0.080492
  C      -1.818490     -1.188699     -0.102861
  C      -1.572703     -0.326846      0.993146
  C      -1.826892     -0.752370      2.278262
  C      -2.320641     -2.059179      2.500551
  N      -2.607238     -2.589371      3.731643
  C      -2.044685     -2.090672      4.837826
  C      -0.716523     -1.573278      5.035339
  O      -0.321370     -0.935343      5.981389
  Cl      0.541390     -2.195031      3.815588
  C      -6.058333     -5.856877      4.760638
  C      -6.917872     -6.698511      5.500334
  C      -8.179281     -6.241339      5.851641
  C      -8.614578     -4.956672      5.474079
  C      -7.777407     -4.105915      4.765887
  C      -6.481985     -4.535796      4.425377
  N      -5.546751     -3.807985      3.706518
  C      -5.800156     -2.468069      3.510029
  C      -5.603981     -1.847629      2.262992
  O      -5.377957     -2.301708      1.157806
  Cl     -5.816943      0.005291      2.428362
  C      -1.367512     -5.149556      5.577869
  C      -0.083211     -5.462619      6.083058
  C       0.242473     -5.119036      7.382781
  C      -0.691334     -4.451542      8.205692
  C      -1.960814     -4.163316      7.743722
  C      -2.336917     -4.542351      6.435307
  N      -3.562815     -4.299923      5.861623
  C      -4.647203     -3.980119      6.613109
  C      -4.979539     -4.630098      7.841462
  O      -4.469207     -5.567786      8.414305
  Cl     -6.508078     -3.860080      8.557741
  H      -2.621954     -3.052182     -0.783854
  H      -1.617815     -0.837125     -1.116229
  H      -1.213954      0.687295      0.816287
  H      -1.685969     -0.082905      3.126494
  H      -2.603364     -2.175138      5.767635
  H      -6.590133     -7.688901      5.814568
  H      -8.840517     -6.886333      6.431786
  H      -9.617726     -4.624828      5.744044
  H      -8.118100     -3.117468      4.458113
  H      -6.262203     -1.893209      4.313931
  H       0.661132     -5.929827      5.439780
  H       1.242568     -5.331374      7.762783
  H      -0.401605     -4.141985      9.210418
  H      -2.668333     -3.622300      8.369813
  H      -5.385244     -3.307862      6.189101
71
Coordinates from ORCA-job orca E -7243.129535272386
  N      -3.260671     -4.067155      1.722341
  C      -3.707806     -4.933218      0.639614
  C      -3.989015     -6.313459      1.215200
  N      -3.149982     -6.506204      2.425767
  C      -3.520496     -7.778091      3.129007
  C      -4.220251     -7.457699      4.449832
  N      -4.824682     -6.150972      4.285807
  Mo     -3.597114     -4.644797      3.681166
  N      -1.790009     -5.363405      4.299035
  C      -0.941921     -6.175757      3.427086
  C      -1.692212     -6.450670      2.131933
  H      -0.681644     -7.112255      3.950386
  H       0.004098     -5.657363      3.199061
  H      -1.364779     -7.395968      1.669933
  H      -1.516602     -5.641204      1.418597
  H      -4.970021     -8.227760      4.679912
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  H      -4.186300     -8.347686      2.467326
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  H      -2.928809     -4.996098     -0.137220
  H      -4.613230     -4.515680      0.170461
  H      -3.788542     -7.109250      0.477448
  H      -5.030826     -6.400608      1.548561
  C      -2.656783     -2.899756      1.396121
  C      -2.360003     -2.449635      0.082903
  C      -1.809451     -1.197406     -0.101276
  C      -1.567814     -0.332760      0.993607
  C      -1.826405     -0.755527      2.278667
  C      -2.320024     -2.062264      2.502459
  N      -2.611117     -2.588517      3.734117
  C      -2.056368     -2.086937      4.841831
  C      -0.733358     -1.556450      5.045095
  O      -0.350165     -0.914435      5.993297
  Cl      0.536113     -2.170331      3.836582
  C      -6.065771     -5.855961      4.755283
  C      -6.929422     -6.697545      5.490236
  C      -8.190001     -6.237637      5.840899
  C      -8.620599     -4.950144      5.467365
  C      -7.779571     -4.099706      4.763376
  C      -6.485075     -4.532667      4.423279
  N      -5.545856     -3.805487      3.709253
  C      -5.794822     -2.464319      3.515101
  C      -5.595757     -1.841661      2.269780
  O      -5.369273     -2.293783      1.163697
  Cl     -5.805762      0.011097      2.439244
  C      -1.361788     -5.145749      5.572791
  C      -0.074618     -5.451934      6.074286
  C       0.253351     -5.105139      7.372720
  C      -0.681159     -4.441256      8.197666
  C      -1.953311     -4.159282      7.738839
  C      -2.331067     -4.541478      6.431905
  N      -3.560158     -4.306818      5.861173
  C      -4.643305     -3.991669      6.618067
  C      -4.968382     -4.647734      7.844561
  O      -4.453859     -5.587196      8.410983
  Cl     -6.496539     -3.885053      8.570728
  H      -2.610172     -3.062200     -0.781049
  H      -1.605018     -0.848308     -1.114741
  H      -1.209310      0.681281      0.815866
  H      -1.688919     -0.083691      3.125526
  H      -2.617920     -2.176190      5.769448
  H      -6.605823     -7.690137      5.801768
  H      -8.854072     -6.882695      6.417683
  H      -9.623025     -4.615886      5.736942
  H      -8.116594     -3.109051      4.458694
  H      -6.255587     -1.889920      4.320047
  H       0.670024     -5.916520      5.429429
  H       1.255632     -5.312195      7.749811
  H      -0.390175     -4.129494      9.201322
  H      -2.662179     -3.621408      8.366195
  H      -5.384202     -3.318820      6.200078
71
Coordinates from ORCA-job orca E -7243.129550634132
  N      -3.259674     -4.070397      1.723973
  C      -3.711525     -4.935333      0.642363
  C      -3.992576     -6.316253      1.218237
  N      -3.151384     -6.509668      2.427174
  C      -3.520548     -7.780710      3.131675
  C      -4.228714     -7.459787      4.448363
  N      -4.831577     -6.152763      4.281094
  Mo     -3.599295     -4.648549      3.682497
  N      -1.788399     -5.362627      4.294464
  C      -0.940279     -6.173567      3.421597
  C      -1.694391     -6.455336      2.129507
  H      -0.673952     -7.107636      3.946143
  H       0.003197     -5.652737      3.188660
  H      -1.367840     -7.403099      1.671962
  H      -1.519790     -5.650806      1.410399
  H      -4.979763     -8.230075      4.673732
  H      -3.509107     -7.435411      5.282923
  H      -4.179809     -8.355328      2.467649
  H      -2.616285     -8.377969      3.302102
  H      -2.936738     -4.999493     -0.138467
  H      -4.618258     -4.516288      0.177133
  H      -3.793182     -7.111301      0.479297
  H      -5.034168     -6.403869      1.551843
  C      -2.652332     -2.905229      1.397946
  C      -2.349887     -2.457547      0.085060
  C      -1.797605     -1.206400     -0.099468
  C      -1.559880     -0.339178      0.994491
  C      -1.823939     -0.759170      2.279249
  C      -2.318309     -2.065637      2.504089
  N      -2.615124     -2.588042      3.736015
  C      -2.068618     -2.084216      4.846049
  C      -0.749583     -1.544646      5.056592
  O      -0.378330     -0.895601      6.004765
  Cl      0.532128     -2.154339      3.861033
  C      -6.071941     -5.855022      4.751158
  C      -6.937841     -6.696067      5.484065
  C      -8.196711     -6.233517      5.837134
  C      -8.623652     -4.943478      5.467589
  C      -7.780595     -4.093973      4.764987
  C      -6.487629     -4.529713      4.422486
  N      -5.546325     -3.803139      3.710697
  C      -5.792635     -2.461592      3.517465
  C      -5.589302     -1.836143      2.274438
  O      -5.360434     -2.285473      1.167381
  Cl     -5.799094      0.016187      2.448716
  C      -1.357286     -5.141540      5.567053
  C      -0.067533     -5.441116      6.065489
  C       0.261955     -5.092546      7.363030
  C      -0.674027     -4.433423      8.190433
  C      -1.948506     -4.157665      7.734300
  C      -2.327028     -4.541038      6.427962
  N      -3.558997     -4.314102      5.859687
  C      -4.642002     -4.003636      6.619666
  C      -4.960512     -4.661075      7.846625
  O      -4.440531     -5.598560      8.411636
  Cl     -6.491917     -3.906647      8.575935
  H      -2.597234     -3.071646     -0.778628
  H      -1.588859     -0.859710     -1.112887
  H      -1.200646      0.674437      0.815984
  H      -1.690078     -0.085590      3.125232
  H      -2.635265     -2.173458      5.770497
  H      -6.617004     -7.690642      5.792133
  H      -8.862074     -6.878321      6.412681
  H      -9.624668     -4.606493      5.738935
  H      -8.115221     -3.101537      4.463467
  H      -6.254963     -1.887487      4.321749
  H       0.677600     -5.902242      5.418696
  H       1.266207     -5.294594      7.737548
  H      -0.382477     -4.120559      9.193548
  H      -2.659255     -3.623997      8.363233
  H      -5.387017     -3.333465      6.204445
71
Coordinates from ORCA-job orca E -7243.129559370024
  N      -3.260650     -4.071849      1.725535
  C      -3.714995     -4.936191      0.644505
  C      -3.994380     -6.317821      1.220301
  N      -3.151962     -6.510499      2.428466
  C      -3.519559     -7.781480      3.133607
  C      -4.232910     -7.461041      4.447862
  N      -4.835638     -6.154184      4.278588
  Mo     -3.600773     -4.650749      3.683623
  N      -1.787669     -5.361618      4.292160
  C      -0.939054     -6.171078      3.418515
  C      -1.695493     -6.456551      2.128270
  H      -0.669157     -7.103940      3.943334
  H       0.002751     -5.648444      3.183039
  H      -1.369480     -7.405379      1.672633
  H      -1.521897     -5.654384      1.406220
  H      -4.984269     -8.232118      4.669702
  H      -3.517030     -7.436903      5.285635
  H      -4.175280     -8.358921      2.468466
  H      -2.614443     -8.376258      3.307878
  H      -2.942615     -4.999998     -0.138646
  H      -4.622931     -4.516997      0.181805
  H      -3.794399     -7.112206      0.480785
  H      -5.035703     -6.407026      1.554172
  C      -2.650658     -2.908152      1.399655
  C      -2.345392     -2.461828      0.086961
  C      -1.791023     -1.211773     -0.097718
  C      -1.554091     -0.343646      0.995837
  C      -1.821113     -0.762155      2.280391
  C      -2.317263     -2.067925      2.505637
  N      -2.617045     -2.588537      3.737549
  C      -2.073071     -2.084680      4.848494
  C      -0.755185     -1.542320      5.060880
  O      -0.387317     -0.891719      6.009191
  Cl      0.530411     -2.151400      3.869002
  C      -6.075906     -5.855315      4.748478
  C      -6.942649     -6.696524      5.480032
  C      -8.201173     -6.233607      5.833676
  C      -8.626788     -4.942630      5.465690
  C      -7.782826     -4.093115      4.764255
  C      -6.490145     -4.529283      4.421187
  N      -5.547645     -3.801955      3.711724
  C      -5.793126     -2.460303      3.520326
  C      -5.585838     -1.831415      2.279836
  O      -5.354698     -2.277198      1.171670
  Cl     -5.795175      0.020732      2.459615
  C      -1.355033     -5.138665      5.564134
  C      -0.063718     -5.434595      6.060382
  C       0.267293     -5.084630      7.357064
  C      -0.668959     -4.427221      8.185748
  C      -1.944872     -4.155045      7.731617
  C      -2.324767     -4.540148      6.426246
  N      -3.558561     -4.318063      5.859566
  C      -4.641699     -4.009148      6.619973
  C      -4.958807     -4.664842      7.848006
  O      -4.437344     -5.600660      8.414522
  Cl     -6.492014     -3.911925      8.575988
  H      -2.592379     -3.076387     -0.776495
  H      -1.580064     -0.866287     -1.111084
  H      -1.193179      0.669252      0.816804
  H      -1.688455     -0.088283      3.126310
  H      -2.641454     -2.172573      5.772001
  H      -6.622262     -7.691902      5.785954
  H      -8.867159     -6.878609      6.408240
  H      -9.627400     -4.604782      5.737393
  H      -8.116857     -3.100055      4.464182
  H      -6.258752     -1.887368      4.323552
  H       0.681183     -5.893844      5.412001
  H       1.272732     -5.283849      7.729860
  H      -0.376491     -4.113067      9.188166
  H      -2.655857     -3.622807      8.361395
  H      -5.388902     -3.341706      6.204353
71
Coordinates from ORCA-job orca E -7243.129564509926
  N      -3.261905     -4.072929      1.726977
  C      -3.718414     -4.936811      0.646540
  C      -3.995384     -6.319171      1.222070
  N      -3.152141     -6.510494      2.429883
  C      -3.518230     -7.781601      3.135658
  C      -4.235888     -7.461623      4.447743
  N      -4.838383     -6.154755      4.277223
  Mo     -3.601570     -4.652020      3.684619
  N      -1.786944     -5.360124      4.290782
  C      -0.937816     -6.168172      3.416335
  C      -1.696051     -6.456596      2.127696
  H      -0.665054     -7.100056      3.941373
  H       0.002385     -5.643580      3.178922
  H      -1.370566     -7.406174      1.673310
  H      -1.523653     -5.655961      1.403607
  H      -4.987870     -8.233076      4.666324
  H      -3.523260     -7.438088      5.288326
  H      -4.171121     -8.361443      2.469789
  H      -2.612103     -8.373921      3.312835
  H      -2.947959     -4.999597     -0.138520
  H      -4.627738     -4.517788      0.186332
  H      -3.794049     -7.113013      0.482351
  H      -5.036379     -6.410418      1.556380
  C      -2.649937     -2.910278      1.400895
  C      -2.343360     -2.465150      0.088082
  C      -1.787538     -1.215857     -0.097099
  C      -1.550762     -0.347085      0.996015
  C      -1.819164     -0.764454      2.280602
  C      -2.316335     -2.069714      2.506521
  N      -2.617756     -2.589122      3.738452
  C      -2.074655     -2.085272      4.849778
  C      -0.756635     -1.543492      5.063086
  O      -0.389465     -0.892563      6.011321
  Cl      0.530285     -2.153307      3.872014
  C      -6.078845     -5.855250      4.746483
  C      -6.946147     -6.696716      5.476962
  C      -8.204849     -6.233964      5.830236
  C      -8.629783     -4.942704      5.462672
  C      -7.785042     -4.092913      4.762455
  C      -6.492170     -4.528892      4.419885
  N      -5.548827     -3.800761      3.712097
  C      -5.794059     -2.459088      3.522979
  C      -5.582588     -1.826646      2.284901
  O      -5.349427     -2.268939      1.175832
  Cl     -5.789907      0.025520      2.469994
  C      -1.353310     -5.135926      5.562348
  C      -0.060852     -5.429176      6.057050
  C       0.270951     -5.078677      7.353379
  C      -0.665744     -4.423108      8.183024
  C      -1.942701     -4.153449      7.730299
  C      -2.323250     -4.539236      6.425417
  N      -3.558194     -4.320384      5.859814
  C      -4.641686     -4.013397      6.620225
  C      -4.957341     -4.667467      7.849462
  O      -4.433431     -5.600710      8.417949
  Cl     -6.492977     -3.917228      8.575591
  H      -2.590596     -3.080100     -0.775022
  H      -1.575489     -0.871220     -1.110531
  H      -1.188652      0.665262      0.816280
  H      -1.687171     -0.090294      3.126398
  H      -2.644210     -2.171284      5.772782
  H      -6.625612     -7.692400      5.781741
  H      -8.871454     -6.879176      6.403844
  H      -9.630523     -4.604700      5.733732
  H      -8.119035     -3.099730      4.462748
  H      -6.263607     -1.887748      4.325080
  H       0.684033     -5.886677      5.407423
  H       1.277118     -5.276001      7.725217
  H      -0.372841     -4.108557      9.185194
  H      -2.653935     -3.622643      8.360964
  H      -5.391464     -3.349506      6.203580
71
Coordinates from ORCA-job orca E -7243.129568420976
  N      -3.263190     -4.074257      1.728521
  C      -3.721732     -4.937793      0.648724
  C      -3.996366     -6.320735      1.224080
  N      -3.152310     -6.510564      2.431635
  C      -3.516883     -7.781805      3.138160
  C      -4.239413     -7.462084      4.447609
  N      -4.840969     -6.154809      4.276137
  Mo     -3.602069     -4.653084      3.685908
  N      -1.786198     -5.358668      4.290038
  C      -0.936754     -6.165509      3.414729
  C      -1.696526     -6.456421      2.127625
  H      -0.661554     -7.096450      3.940135
  H       0.001920     -5.639004      3.175564
  H      -1.371531     -7.406551      1.674093
  H      -1.525609     -5.656769      1.402073
  H      -4.992796     -8.233237      4.662486
  H      -3.530359     -7.439748      5.291279
  H      -4.166261     -8.364486      2.471319
  H      -2.609402     -8.370969      3.318681
  H      -2.952844     -4.999628     -0.137902
  H      -4.632326     -4.518915      0.190794
  H      -3.793710     -7.114300      0.484470
  H      -5.036981     -6.413777      1.559102
  C      -2.649646     -2.912499      1.401955
  C      -2.342387     -2.468629      0.088801
  C      -1.785483     -1.219933     -0.097167
  C      -1.548653     -0.350494      0.995395
  C      -1.817670     -0.766702      2.280177
  C      -2.315452     -2.071555      2.507061
  N      -2.617928     -2.589688      3.739106
  C      -2.075697     -2.085096      4.850490
  C      -0.757645     -1.543860      5.064693
  O      -0.390784     -0.893392      6.013236
  Cl      0.530213     -2.153877      3.873811
  C      -6.081873     -5.854890      4.744199
  C      -6.950189     -6.696711      5.473017
  C      -8.209253     -6.233982      5.825185
  C      -8.633227     -4.942408      5.458045
  C      -7.787260     -4.092176      4.759719
  C      -6.494069     -4.528122      4.418369
  N      -5.549564     -3.799388      3.712419
  C      -5.794046     -2.457451      3.526283
  C      -5.578952     -1.821612      2.290322
  O      -5.344684     -2.260713      1.180425
  Cl     -5.782891      0.030696      2.480556
  C      -1.351343     -5.133272      5.561063
  C      -0.057698     -5.423701      6.054163
  C       0.274762     -5.072572      7.350236
  C      -0.662422     -4.419082      8.180769
  C      -1.940495     -4.151934      7.729473
  C      -2.321550     -4.538484      6.425076
  N      -3.557478     -4.322278      5.860468
  C      -4.641197     -4.017797      6.621480
  C      -4.955054     -4.672309      7.850974
  O      -4.428419     -5.603713      8.419905
  Cl     -6.492317     -3.925434      8.577360
  H      -2.589922     -3.084030     -0.773882
  H      -1.572770     -0.876135     -1.110743
  H      -1.185760      0.661429      0.814816
  H      -1.685939     -0.092037      3.125623
  H      -2.646192     -2.170104      5.773045
  H      -6.629876     -7.692671      5.777102
  H      -8.876893     -6.879405      6.397350
  H      -9.634329     -4.604411      5.727819
  H      -8.120905     -3.098816      4.460233
  H      -6.266660     -1.887899      4.327862
  H       0.687360     -5.879392      5.403470
  H       1.281648     -5.267868      7.721193
  H      -0.369129     -4.104155      9.182721
  H      -2.651967     -3.622602      8.361084
  H      -5.393480     -3.356874      6.204686
71
Coordinates from ORCA-job orca E -7243.129570988779
  N      -3.264307     -4.075619      1.729757
  C      -3.724679     -4.938978      0.650627
  C      -3.997189     -6.322420      1.225980
  N      -3.152288     -6.510845      2.433288
  C      -3.515318     -7.782159      3.140629
  C      -4.243224     -7.462587      4.447124
  N      -4.843274     -6.154608      4.274910
  Mo     -3.602337     -4.653971      3.687075
  N      -1.785567     -5.357441      4.289781
  C      -0.935806     -6.163173      3.413654
  C      -1.696710     -6.456132      2.127781
  H      -0.658451     -7.093231      3.939455
  H       0.001481     -5.634858      3.173041
  H      -1.371926     -7.406626      1.674889
  H      -1.527294     -5.657093      1.401213
  H      -4.998494     -8.232987      4.658059
  H      -3.537907     -7.441868      5.294000
  H      -4.160394     -8.368120      2.472472
  H      -2.606268     -8.367619      3.325061
  H      -2.957238     -5.000089     -0.137433
  H      -4.636432     -4.520252      0.194791
  H      -3.793386     -7.115870      0.486615
  H      -5.037446     -6.416986      1.561697
  C      -2.649771     -2.914538      1.402557
  C      -2.342329     -2.471665      0.089010
  C      -1.784758     -1.223377     -0.097721
  C      -1.547684     -0.353395      0.994349
  C      -1.816714     -0.768650      2.279387
  C      -2.314787     -2.073267      2.507219
  N      -2.617654     -2.590349      3.739441
  C      -2.076139     -2.084860      4.850808
  C      -0.758067     -1.544365      5.066073
  O      -0.391163     -0.894826      6.015167
  Cl      0.530364     -2.153954      3.874970
  C      -6.084586     -5.854324      4.741805
  C      -6.954110     -6.696424      5.468901
  C      -8.213365     -6.233358      5.820088
  C      -8.636172     -4.941297      5.453683
  C      -7.788905     -4.090721      4.757237
  C      -6.495554     -4.526998      4.416943
  N      -5.549910     -3.797981      3.712516
  C      -5.793261     -2.455640      3.529254
  C      -5.575496     -1.817062      2.294893
  O      -5.340820     -2.253708      1.184333
  Cl     -5.776031      0.035339      2.489457
  C      -1.349569     -5.130877      5.560250
  C      -0.054833     -5.418466      6.052024
  C       0.277947     -5.066629      7.347934
  C      -0.659914     -4.415400      8.179242
  C      -1.939017     -4.150706      7.729110
  C      -2.320167     -4.537851      6.425006
  N      -3.556856     -4.323809      5.861170
  C      -4.640729     -4.022054      6.623148
  C      -4.952295     -4.678230      7.852390
  O      -4.422830     -5.608437      8.420609
  Cl     -6.490844     -3.935500      8.580268
  H      -2.590096     -3.087405     -0.773350
  H      -1.571749     -0.880254     -1.111463
  H      -1.184470      0.658294      0.813037
  H      -1.684834     -0.093441      3.124370
  H      -2.647371     -2.169783      5.772954
  H      -6.634481     -7.692731      5.772533
  H      -8.882099     -6.878907      6.390839
  H      -9.637544     -4.603182      5.722351
  H      -8.121890     -3.097017      4.458168
  H      -6.267574     -1.887625      4.330912
  H       0.690662     -5.872420      5.400622
  H       1.285514     -5.259795      7.718162
  H      -0.366465     -4.100138      9.181057
  H      -2.650954     -3.623009      8.361585
  H      -5.395209     -3.363268      6.206938
71
Coordinates from ORCA-job orca E -7243.129573697431
  N      -3.265533     -4.077080      1.730849
  C      -3.727909     -4.940414      0.652572
  C      -3.998019     -6.324398      1.228155
  N      -3.151960     -6.511275      2.435010
  C      -3.512916     -7.782595      3.143390
  C      -4.247860     -7.463333      4.446098
  N      -4.845757     -6.154345      4.273129
  Mo     -3.602558     -4.654874      3.688255
  N      -1.784973     -5.356245      4.289739
  C      -0.934674     -6.160491      3.412635
  C      -1.696615     -6.455533      2.127906
  H      -0.654784     -7.089601      3.938719
  H       0.001068     -5.630083      3.170601
  H      -1.371698     -7.406277      1.675649
  H      -1.528941     -5.657018      1.400389
  H      -5.005576     -8.232692      4.651976
  H      -3.547256     -7.444859      5.296967
  H      -4.151954     -8.373014      2.473327
  H      -2.601854     -8.363102      3.333213
  H      -2.962257     -5.000912     -0.137233
  H      -4.640994     -4.521972      0.199111
  H      -3.793105     -7.117751      0.489044
  H      -5.037877     -6.420622      1.564614
  C      -2.650137     -2.916746      1.402825
  C      -2.342650     -2.474813      0.088876
  C      -1.784372     -1.226979     -0.098628
  C      -1.546774     -0.356497      0.992950
  C      -1.815651     -0.770793      2.278277
  C      -2.314154     -2.075153      2.507072
  N      -2.617206     -2.591136      3.739522
  C      -2.076612     -2.084474      4.850870
  C      -0.758726     -1.544468      5.067440
  O      -0.391865     -0.895943      6.017225
  Cl      0.530452     -2.153128      3.876283
  C      -6.087371     -5.853578      4.739053
  C      -6.958302     -6.695890      5.464299
  C      -8.217491     -6.232123      5.814872
  C      -8.638830     -4.939278      5.449785
  C      -7.790162     -4.088461      4.755267
  C      -6.496887     -4.525469      4.415602
  N      -5.550065     -3.796345      3.712681
  C      -5.791806     -2.453463      3.532276
  C      -5.572080     -1.812532      2.299240
  O      -5.337595     -2.247175      1.188024
  Cl     -5.769205      0.039872      2.497840
  C      -1.347849     -5.128578      5.559635
  C      -0.051984     -5.413052      6.050092
  C       0.280992     -5.060466      7.345843
  C      -0.657696     -4.411788      8.178014
  C      -1.937860     -4.149797      7.729026
  C      -2.318950     -4.537484      6.425129
  N      -3.556353     -4.325511      5.861974
  C      -4.640390     -4.026724      6.625139
  C      -4.949595     -4.685643      7.853534
  O      -4.417500     -5.615376      8.420060
  Cl     -6.489070     -3.947369      8.583835
  H      -2.590714     -3.090791     -0.773219
  H      -1.571175     -0.884549     -1.112562
  H      -1.183283      0.654979      0.810958
  H      -1.683218     -0.095021      3.122708
  H      -2.648744     -2.169505      5.772462
  H      -6.639889     -7.692757      5.767302
  H      -8.887364     -6.877782      6.384165
  H      -9.640269     -4.600795      5.717755
  H      -8.122127     -3.094156      4.457083
  H      -6.266676     -1.886752      4.334513
  H       0.694143     -5.865092      5.398085
  H       1.289334     -5.251170      7.715235
  H      -0.364178     -4.096131      9.179692
  H      -2.650428     -3.623948      8.362350
  H      -5.396701     -3.369272      6.210130
71
Coordinates from ORCA-job orca E -7243.129578126267
  N      -3.267655     -4.079414      1.732343
  C      -3.733317     -4.942996      0.655693
  C      -3.999134     -6.327910      1.231954
  N      -3.150897     -6.512080      2.437799
  C      -3.507829     -7.783258      3.148155
  C      -4.256079     -7.464890      4.443777
  N      -4.849991     -6.154064      4.269497
  Mo     -3.602972     -4.656383      3.690028
  N      -1.784076     -5.354342      4.289744
  C      -0.932483     -6.155599      3.410968
  C      -1.696029     -6.454285      2.128003
  H      -0.647871     -7.083101      3.937267
  H       0.000543     -5.621460      3.166659
  H      -1.370468     -7.405384      1.676969
  H      -1.531269     -5.656785      1.398758
  H      -5.018054     -8.232541      4.640046
  H      -3.564362     -7.450673      5.302029
  H      -4.135145     -8.382219      2.474525
  H      -2.593218     -8.354431      3.348486
  H      -2.970981     -5.002551     -0.137308
  H      -4.648795     -4.525353      0.206317
  H      -3.792446     -7.121021      0.493126
  H      -5.038311     -6.427105      1.569569
  C      -2.651082     -2.920274      1.402931
  C      -2.343676     -2.479660      0.088410
  C      -1.784240     -1.232594     -0.100263
  C      -1.545518     -0.361399      0.990579
  C      -1.814067     -0.774278      2.276354
  C      -2.313405     -2.078202      2.506594
  N      -2.616444     -2.592618      3.739445
  C      -2.077022     -2.084543      4.850832
  C      -0.759480     -1.545134      5.069253
  O      -0.392649     -0.898211      6.020160
  Cl      0.530741     -2.151814      3.877801
  C      -6.091900     -5.852264      4.734277
  C      -6.965188     -6.694783      5.456552
  C      -8.223935     -6.229544      5.806801
  C      -8.642617     -4.935100      5.444498
  C      -7.791670     -4.084078      4.752985
  C      -6.498833     -4.522673      4.413615
  N      -5.550127     -3.793508      3.713236
  C      -5.788801     -2.449653      3.537142
  C      -5.566657     -1.805377      2.306033
  O      -5.333079     -2.237267      1.193691
  Cl     -5.758467      0.046900      2.510743
  C      -1.345342     -5.124892      5.558796
  C      -0.047729     -5.404266      6.047297
  C       0.285413     -5.050539      7.342793
  C      -0.654747     -4.406039      8.176370
  C      -1.936515     -4.148498      7.729035
  C      -2.317332     -4.536917      6.425358
  N      -3.555870     -4.328535      5.863184
  C      -4.640259     -4.034594      6.628203
  C      -4.945725     -4.698153      7.854987
  O      -4.409648     -5.627534      8.418368
  Cl     -6.486733     -3.967215      8.589299
  H      -2.592389     -3.095887     -0.773315
  H      -1.570907     -0.891217     -1.114520
  H      -1.181524      0.649731      0.807619
  H      -1.680508     -0.097702      3.119927
  H      -2.650419     -2.169873      5.771636
  H      -6.649222     -7.692855      5.758071
  H      -8.895580     -6.875377      6.373808
  H      -9.643842     -4.595640      5.712038
  H      -8.121626     -3.088507      4.456816
  H      -6.263378     -1.884612      4.340722
  H       0.699513     -5.853188      5.394414
  H       1.295010     -5.237193      7.710818
  H      -0.361277     -4.089765      9.177872
  H      -2.650328     -3.625782      8.363588
  H      -5.399115     -3.378624      6.215445
71
Coordinates from ORCA-job orca E -7243.129600657056
  N      -3.275197     -4.087630      1.737536
  C      -3.752894     -4.952398      0.667204
  C      -4.002988     -6.340586      1.246186
  N      -3.146685     -6.514830      2.447945
  C      -3.488488     -7.784860      3.166161
  C      -4.285662     -7.470609      4.434688
  N      -4.865348     -6.153378      4.255905
  Mo     -3.604789     -4.661756      3.696222
  N      -1.780849     -5.347488      4.289072
  C      -0.924279     -6.137071      3.404145
  C      -1.693922     -6.449914      2.127911
  H      -0.621529     -7.058503      3.930688
  H      -0.001620     -5.589075      3.151290
  H      -1.365866     -7.402621      1.682117
  H      -1.539552     -5.657145      1.391396
  H      -5.061757     -8.232553      4.594481
  H      -3.627881     -7.472205      5.319552
  H      -4.071363     -8.415274      2.481058
  H      -2.562504     -8.320829      3.406015
  H      -3.003120     -5.008681     -0.137656
  H      -4.677101     -4.538005      0.232841
  H      -3.790241     -7.132573      0.507986
  H      -5.039612     -6.450632      1.587949
  C      -2.654129     -2.932933      1.403317
  C      -2.346564     -2.497166      0.086917
  C      -1.782748     -1.253000     -0.105927
  C      -1.540202     -0.379113      0.982207
  C      -1.808215     -0.786850      2.269507
  C      -2.310783     -2.089012      2.504847
  N      -2.614422     -2.597695      3.739143
  C      -2.079426     -2.085118      4.850854
  C      -0.763491     -1.546327      5.075452
  O      -0.398240     -0.903627      6.029896
  Cl      0.531436     -2.146019      3.884382
  C      -6.108070     -5.847505      4.717186
  C      -6.989636     -6.690639      5.428839
  C      -8.246561     -6.220140      5.778749
  C      -8.655601     -4.919822      5.426995
  C      -7.796581     -4.068237      4.746155
  C      -6.505551     -4.512580      4.407041
  N      -5.550138     -3.783236      3.716227
  C      -5.777764     -2.436091      3.554866
  C      -5.547349     -1.780309      2.330719
  O      -5.317298     -2.202657      1.214269
  Cl     -5.720315      0.071137      2.556677
  C      -1.336730     -5.111904      5.555296
  C      -0.033177     -5.373502      6.036845
  C       0.300675     -5.016332      7.331479
  C      -0.644461     -4.386543      8.170238
  C      -1.931626     -4.144609      7.728719
  C      -2.311717     -4.535235      6.425784
  N      -3.554307     -4.340016      5.867141
  C      -4.639889     -4.062980      6.638380
  C      -4.932784     -4.742196      7.859334
  O      -4.383338     -5.670394      8.411877
  Cl     -6.479095     -4.036364      8.607071
  H      -2.597728     -3.114443     -0.773338
  H      -1.568732     -0.915543     -1.121344
  H      -1.173969      0.630598      0.795821
  H      -1.671131     -0.107452      3.110134
  H      -2.657454     -2.170595      5.768807
  H      -6.682518     -7.693289      5.724035
  H      -8.924342     -6.866689      6.337588
  H      -9.655738     -4.576526      5.693716
  H      -8.119213     -3.068012      4.457711
  H      -6.250906     -1.876495      4.363096
  H       0.717686     -5.811229      5.380526
  H       1.314541     -5.189019      7.694538
  H      -0.351138     -4.068389      9.171190
  H      -2.649772     -3.632963      8.367501
  H      -5.407276     -3.411917      6.233548
71
Coordinates from ORCA-job orca E -7243.129663981668
  N      -3.283965     -4.094256      1.741081
  C      -3.770295     -4.962391      0.677417
  C      -4.002183     -6.353779      1.259450
  N      -3.138965     -6.515003      2.457781
  C      -3.462604     -7.782705      3.185468
  C      -4.314063     -7.476730      4.421924
  N      -4.878961     -6.152897      4.241702
  Mo     -3.606192     -4.665446      3.701121
  N      -1.778072     -5.340678      4.290203
  C      -0.914673     -6.116476      3.399723
  C      -1.688535     -6.442059      2.129008
  H      -0.594366     -7.032861      3.924497
  H      -0.002369     -5.554172      3.140900
  H      -1.357014     -7.395665      1.687662
  H      -1.543908     -5.653400      1.386176
  H      -5.102795     -8.233834      4.538086
  H      -3.695958     -7.497007      5.334906
  H      -3.993021     -8.448515      2.490749
  H      -2.526187     -8.275551      3.470910
  H      -3.031719     -5.013640     -0.137852
  H      -4.703430     -4.554350      0.256301
  H      -3.781319     -7.144268      0.522055
  H      -5.036243     -6.476630      1.604372
  C      -2.660908     -2.942473      1.402053
  C      -2.357101     -2.509747      0.083706
  C      -1.790622     -1.267558     -0.113233
  C      -1.541949     -0.392401      0.972674
  C      -1.805964     -0.797154      2.261668
  C      -2.310608     -2.097800      2.501389
  N      -2.611098     -2.603573      3.737148
  C      -2.073931     -2.090367      4.848011
  C      -0.756763     -1.556185      5.071795
  O      -0.386675     -0.918874      6.028031
  Cl      0.535079     -2.152482      3.873421
  C      -6.121957     -5.842875      4.701065
  C      -7.010411     -6.686599      5.403225
  C      -8.265000     -6.211241      5.755165
  C      -8.664987     -4.905193      5.414576
  C      -7.799105     -4.053162      4.743080
  C      -6.510273     -4.502837      4.402213
  N      -5.549302     -3.773358      3.720319
  C      -5.766157     -2.423197      3.572188
  C      -5.530770     -1.757843      2.353840
  O      -5.307915     -2.172303      1.233051
  Cl     -5.682387      0.092805      2.598387
  C      -1.331426     -5.101200      5.554825
  C      -0.023774     -5.349505      6.031795
  C       0.309471     -4.992087      7.326569
  C      -0.640320     -4.375108      8.169499
  C      -1.931010     -4.144878      7.731587
  C      -2.309600     -4.535182      6.428358
  N      -3.554497     -4.349526      5.871330
  C      -4.641981     -4.085918      6.645295
  C      -4.927291     -4.775423      7.862096
  O      -4.368163     -5.701583      8.408387
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  H      -1.579302     -0.932337     -1.129961
  H      -1.173919      0.616096      0.783226
  H      -1.664118     -0.116498      3.100428
  H      -2.652172     -2.174114      5.766087
  H      -6.711088     -7.693840      5.690540
  H      -8.947842     -6.858552      6.306904
  H      -9.663428     -4.557908      5.682533
  H      -8.114649     -3.048303      4.462970
  H      -6.235321     -1.867548      4.385524
  H       0.730181     -5.777099      5.372376
  H       1.326132     -5.154652      7.686440
  H      -0.348042     -4.057165      9.170822
  H      -2.653104     -3.642730      8.373519
  H      -5.415389     -3.439010      6.245069
71
Coordinates from ORCA-job orca E -7243.129694611494
  N      -3.292452     -4.101059      1.744788
  C      -3.788353     -4.972129      0.687975
  C      -4.002586     -6.366510      1.273029
  N      -3.132293     -6.515119      2.467588
  C      -3.438189     -7.779740      3.205279
  C      -4.342006     -7.482812      4.408108
  N      -4.892293     -6.152404      4.227756
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  N      -1.775485     -5.334084      4.290741
  C      -0.905808     -6.095806      3.394274
  C      -1.684319     -6.434835      2.129489
  H      -0.567383     -7.006627      3.917176
  H      -0.004506     -5.519026      3.128920
  H      -1.349690     -7.389733      1.693226
  H      -1.549428     -5.651118      1.379666
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  H      -3.061652     -5.018869     -0.137960
  H      -4.730137     -4.569805      0.280758
  H      -3.774251     -7.155467      0.536313
  H      -5.033917     -6.501523      1.621336
  C      -2.666523     -2.952660      1.401026
  C      -2.365427     -2.523464      0.080821
  C      -1.795496     -1.283627     -0.120167
  C      -1.541019     -0.407057      0.963415
  C      -1.802131     -0.808318      2.254028
  C      -2.309538     -2.107139      2.498179
  N      -2.608349     -2.609258      3.735404
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  C      -0.752687     -1.564005      5.069932
  O      -0.379575     -0.931126      6.028006
  Cl      0.537879     -2.157319      3.866951
  C      -6.135497     -5.838329      4.685309
  C      -7.030754     -6.682787      5.377757
  C      -8.283260     -6.202988      5.731347
  C      -8.674472     -4.891498      5.401837
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  C      -6.514958     -4.493375      4.397673
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  C      -5.514345     -1.735715      2.377710
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  Cl     -5.645710      0.113563      2.640420
  C      -1.326039     -5.090453      5.553619
  C      -0.014192     -5.324858      6.025685
  C       0.318777     -4.966735      7.320406
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  C      -1.929705     -4.144763      7.733761
  C      -2.307145     -4.535126      6.430435
  N      -3.554500     -4.359291      5.875396
  C      -4.643462     -4.109146      6.652520
  C      -4.920877     -4.809178      7.864950
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  H      -2.625942     -3.141880     -0.775921
  H      -1.586021     -0.951033     -1.138140
  H      -1.170637      0.600005      0.770894
  H      -1.655703     -0.126236      3.090793
  H      -2.650094     -2.176079      5.763205
  H      -6.738979     -7.694421      5.657169
  H      -8.971149     -6.851200      6.275698
  H      -9.671428     -4.540580      5.670630
  H      -8.110562     -3.029596      4.468106
  H      -6.220734     -1.859272      4.408367
  H       0.742686     -5.742105      5.363020
  H       1.338291     -5.118703      7.676803
  H      -0.343873     -4.044631      9.169172
  H      -2.655534     -3.652132      8.378904
  H      -5.422842     -3.466209      6.257406
71
Coordinates from ORCA-job orca E -7243.129710112993
  N      -3.293739     -4.102748      1.745823
  C      -3.792355     -4.973702      0.690319
  C      -4.003104     -6.368822      1.275334
  N      -3.131669     -6.515373      2.469164
  C      -3.435199     -7.779173      3.208076
  C      -4.350334     -7.485756      4.403022
  N      -4.895326     -6.152614      4.225876
  Mo     -3.608404     -4.669711      3.707311
  N      -1.774596     -5.332746      4.290614
  C      -0.903702     -6.090717      3.392247
  C      -1.684034     -6.434564      2.129374
  H      -0.559156     -6.999499      3.914662
  H      -0.006081     -5.509447      3.124222
  H      -1.349319     -7.390598      1.695626
  H      -1.550846     -5.653351      1.376652
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  H      -3.068677     -5.019251     -0.138300
  H      -4.735994     -4.572041      0.286784
  H      -3.772961     -7.157016      0.538373
  H      -5.033975     -6.506446      1.623820
  C      -2.666291     -2.955543      1.401091
  C      -2.364475     -2.527891      0.080560
  C      -1.793151     -1.288851     -0.121406
  C      -1.538270     -0.411558      0.961470
  C      -1.800246     -0.811368      2.252383
  C      -2.308741     -2.109522      2.497606
  N      -2.608743     -2.610218      3.735093
  C      -2.071983     -2.094356      4.845409
  C      -0.754241     -1.563913      5.070555
  O      -0.382130     -0.930924      6.028989
  Cl      0.537458     -2.156886      3.868704
  C      -6.138183     -5.837256      4.683439
  C      -7.034872     -6.682014      5.373596
  C      -8.287114     -6.201487      5.727270
  C      -8.676516     -4.888955      5.399886
  C      -7.802310     -4.036063      4.740285
  C      -6.515774     -4.491445      4.397976
  N      -5.547878     -3.761385      3.727326
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  C      -5.510462     -1.731062      2.384618
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  Cl     -5.637851      0.117758      2.650650
  C      -1.324462     -5.087465      5.552948
  C      -0.011431     -5.317788      6.023801
  C       0.321622     -4.958646      7.318234
  C      -0.633640     -4.357748      8.166500
  C      -1.928962     -4.143590      7.733754
  C      -2.306278     -4.534675      6.430649
  N      -3.554437     -4.361878      5.876481
  C      -4.643630     -4.115088      6.654406
  C      -4.919074     -4.817184      7.866064
  O      -4.348161     -5.740805      8.404497
  Cl     -6.478219     -4.154892      8.627660
  H      -2.625380     -3.146912     -0.775621
  H      -1.582935     -0.957440     -1.139609
  H      -1.166845      0.594971      0.768185
  H      -1.653462     -0.128646      3.088555
  H      -2.652546     -2.174800      5.762346
  H      -6.744382     -7.694532      5.651185
  H      -8.976133     -6.849994      6.269834
  H      -9.673308     -4.537367      5.668411
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  H      -6.218368     -1.857891      4.414693
  H       0.746161     -5.732408      5.360315
  H       1.341951     -5.107404      7.673652
  H      -0.342141     -4.038848      9.167750
  H      -2.655755     -3.653160      8.379504
  H      -5.424642     -3.473484      6.260392
71
Coordinates from ORCA-job orca E -7243.129777118815
  N      -3.300487     -4.109901      1.749391
  C      -3.806645     -4.982430      0.698963
  C      -4.002563     -6.379950      1.285574
  N      -3.126836     -6.515633      2.477127
  C      -3.418575     -7.776076      3.222606
  C      -4.384922     -7.497725      4.380573
  N      -4.907724     -6.153495      4.215352
  Mo     -3.610107     -4.672983      3.712375
  N      -1.771329     -5.327522      4.292009
  C      -0.894889     -6.070197      3.386731
  C      -1.680759     -6.430941      2.130555
  H      -0.527975     -6.971501      3.906724
  H      -0.011174     -5.471972      3.109954
  H      -1.344612     -7.390119      1.704873
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  H      -2.473502     -8.182966      3.600105
  H      -3.093103     -5.023268     -0.138471
  H      -4.757226     -4.585380      0.307331
  H      -3.764214     -7.166195      0.549235
  H      -5.031546     -6.528216      1.634828
  C      -2.669495     -2.966044      1.400563
  C      -2.368186     -2.542456      0.078558
  C      -1.793267     -1.305692     -0.126968
  C      -1.535069     -0.426521      0.953560
  C      -1.796827     -0.822389      2.245760
  C      -2.307767     -2.118792      2.494789
  N      -2.608030     -2.615996      3.733527
  C      -2.071891     -2.097622      4.843210
  C      -0.753911     -1.568103      5.068615
  O      -0.381677     -0.936454      6.027972
  Cl      0.538068     -2.159167      3.865957
  C      -6.149478     -5.832954      4.672838
  C      -7.052576     -6.678529      5.353491
  C      -8.302970     -6.193832      5.708446
  C      -8.683804     -4.876363      5.391141
  C      -7.802893     -4.022781      4.741284
  C      -6.518209     -4.482755      4.398105
  N      -5.544520     -3.752882      3.736311
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  C      -5.494857     -1.713680      2.409692
  O      -5.287103     -2.114498      1.281092
  Cl     -5.603313      0.133767      2.687845
  C      -1.318960     -5.076473      5.552347
  C      -0.001703     -5.291348      6.018819
  C       0.331119     -4.929100      7.312483
  C      -0.628536     -4.340536      8.164451
  C      -1.927426     -4.140414      7.735697
  C      -2.303679     -4.533565      6.433042
  N      -3.554316     -4.371491      5.881366
  C      -4.644332     -4.137478      6.662428
  C      -4.912070     -4.847838      7.870823
  O      -4.332377     -5.768861      8.404379
  Cl     -6.476158     -4.202807      8.637422
  H      -2.631912     -3.162877     -0.775702
  H      -1.582921     -0.977414     -1.146153
  H      -1.161189      0.578548      0.757451
  H      -1.647482     -0.138036      3.080107
  H      -2.653365     -2.175800      5.759762
  H      -6.768121     -7.694878      5.623201
  H      -8.997075     -6.842986      6.243691
  H      -9.679417     -4.521369      5.659598
  H      -8.103807     -3.008788      4.478315
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  H       0.758709     -5.695808      5.352311
  H       1.354305     -5.065771      7.664520
  H      -0.337612     -4.019388      9.165159
  H      -2.658037     -3.658846      8.383841
  H      -5.431168     -3.500005      6.273457
71
Coordinates from ORCA-job orca E -7243.129798894833
  N      -3.299385     -4.109498      1.748425
  C      -3.801347     -4.982072      0.696050
  C      -3.999725     -6.378830      1.282500
  N      -3.126491     -6.514965      2.475829
  C      -3.421383     -7.776101      3.218740
  C      -4.390038     -7.502106      4.374803
  N      -4.906245     -6.154277      4.217506
  Mo     -3.609468     -4.672011      3.712014
  N      -1.770822     -5.328893      4.293823
  C      -0.894550     -6.071638      3.388853
  C      -1.679750     -6.431873      2.131874
  H      -0.527068     -6.973063      3.908291
  H      -0.011141     -5.472831      3.112298
  H      -1.344571     -7.391482      1.706458
  H      -1.552061     -5.658562      1.370014
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  H      -2.477370     -8.188525      3.593543
  H      -3.084252     -5.022834     -0.138379
  H      -4.750190     -4.585077      0.300163
  H      -3.760469     -7.165497      0.546979
  H      -5.029622     -6.525687      1.629602
  C      -2.669635     -2.964596      1.399934
  C      -2.368698     -2.540111      0.078135
  C      -1.795176     -1.302525     -0.126777
  C      -1.538067     -0.423575      0.954052
  C      -1.799691     -0.820322      2.246053
  C      -2.309114     -2.117416      2.494172
  N      -2.608499     -2.616057      3.732778
  C      -2.071647     -2.097303      4.841854
  C      -0.753733     -1.565662      5.065014
  O      -0.381617     -0.931779      6.022928
  Cl      0.537286     -2.158139      3.862990
  C      -6.147167     -5.833301      4.676384
  C      -7.049703     -6.678930      5.357926
  C      -8.299872     -6.194059      5.713478
  C      -8.680811     -4.876698      5.395702
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  C      -6.515826     -4.483374      4.401760
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  C      -5.497566     -1.719259      2.407147
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  Cl     -5.607685      0.128935      2.678565
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  C      -1.928163     -4.140718      7.737270
  C      -2.304285     -4.534100      6.434513
  N      -3.554173     -4.369675      5.882227
  C      -4.643764     -4.133055      6.662726
  C      -4.913568     -4.841189      7.872023
  O      -4.336464     -5.762887      8.407231
  Cl     -6.476252     -4.191097      8.637036
  H      -2.631754     -3.160590     -0.776236
  H      -1.585135     -0.973577     -1.145803
  H      -1.165330      0.581987      0.758332
  H      -1.651338     -0.136393      3.080943
  H      -2.651227     -2.175824      5.759515
  H      -6.763995     -7.694919      5.627704
  H      -8.993793     -6.842821      6.249435
  H      -9.676362     -4.521668      5.664347
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  H      -6.197258     -1.850236      4.440833
  H       0.757236     -5.700779      5.356236
  H       1.352298     -5.070333      7.668677
  H      -0.339036     -4.020707      9.167530
  H      -2.658450     -3.657598      8.384572
  H      -5.429125     -3.494079      6.273436
71
Coordinates from ORCA-job orca E -7243.129817323824
  N      -3.298626     -4.108097      1.746465
  C      -3.796000     -4.981977      0.692831
  C      -3.996032     -6.377886      1.280379
  N      -3.124442     -6.513068      2.475277
  C      -3.418618     -7.775089      3.217690
  C      -4.390137     -7.503701      4.372208
  N      -4.903620     -6.154572      4.217771
  Mo     -3.608572     -4.670036      3.710436
  N      -1.770844     -5.329558      4.295246
  C      -0.894540     -6.073529      3.391763
  C      -1.677591     -6.429897      2.132944
  H      -0.530255     -6.976651      3.910511
  H      -0.009194     -5.476382      3.117641
  H      -1.342474     -7.388734      1.705755
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  H      -5.210332     -8.236009      4.364410
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  H      -3.075209     -5.023317     -0.138412
  H      -4.743270     -4.585884      0.292196
  H      -3.756281     -7.165727      0.546315
  H      -5.026494     -6.523545      1.626486
  C      -2.671364     -2.961572      1.398187
  C      -2.372703     -2.534940      0.076572
  C      -1.801510     -1.296088     -0.127402
  C      -1.543971     -0.418170      0.954138
  C      -1.803138     -0.817003      2.245996
  C      -2.310676     -2.115074      2.492835
  N      -2.607383     -2.616033      3.731320
  C      -2.068255     -2.097884      4.839754
  C      -0.749666     -1.566608      5.059892
  O      -0.374841     -0.931841      6.016158
  Cl      0.538341     -2.161797      3.855911
  C      -6.144305     -5.834221      4.677965
  C      -7.045336     -6.679871      5.361905
  C      -8.294842     -6.195095      5.719672
  C      -8.676760     -4.877998      5.401773
  C      -7.797921     -4.024521      4.749091
  C      -6.513868     -4.484660      4.403663
  N      -5.541596     -3.756710      3.738605
  C      -5.738271     -2.401206      3.613618
  C      -5.502616     -1.724548      2.400954
  O      -5.298477     -2.131945      1.274061
  Cl     -5.617088      0.124194      2.667509
  C      -1.321886     -5.082631      5.556904
  C      -0.006559     -5.304348      6.026681
  C       0.325266     -4.944574      7.321031
  C      -0.633291     -4.351302      8.171153
  C      -1.930133     -4.144771      7.739709
  C      -2.306101     -4.536111      6.436113
  N      -3.554483     -4.365959      5.882261
  C      -4.643768     -4.124140      6.661102
  C      -4.917509     -4.828220      7.872090
  O      -4.344951     -5.751090      8.410106
  Cl     -6.478302     -4.170001      8.633721
  H      -2.636186     -3.154555     -0.778336
  H      -1.593617     -0.965365     -1.146298
  H      -1.173044      0.588182      0.759022
  H      -1.654730     -0.134225      3.081840
  H      -2.645546     -2.176026      5.758851
  H      -6.758001     -7.695361      5.631798
  H      -8.987578     -6.843426      6.257690
  H      -9.671841     -4.523060      5.672298
  H      -8.099428     -3.010712      4.486104
  H      -6.196139     -1.850664      4.436960
  H       0.752989     -5.712421      5.361364
  H       1.346949     -5.086423      7.675402
  H      -0.342700     -4.031465      9.172370
  H      -2.659361     -3.659217      8.386340
  H      -5.426731     -3.483367      6.269947
71
Coordinates from ORCA-job orca E -7243.129834181230
  N      -3.296989     -4.106597      1.744174
  C      -3.789299     -4.981748      0.689080
  C      -3.993373     -6.376245      1.278257
  N      -3.123067     -6.511552      2.474388
  C      -3.415983     -7.774659      3.216218
  C      -4.390347     -7.505552      4.369331
  N      -4.901809     -6.155606      4.217092
  Mo     -3.608567     -4.668336      3.708316
  N      -1.771269     -5.330971      4.295803
  C      -0.895378     -6.077863      3.394775
  C      -1.676090     -6.428923      2.133577
  H      -0.536610     -6.983414      3.913101
  H      -0.006425     -5.484514      3.123823
  H      -1.341305     -7.386890      1.704096
  H      -1.544481     -5.651889      1.376199
  H      -5.211351     -8.236838      4.356398
  H      -3.871401     -7.600883      5.337865
  H      -3.829743     -8.501394      2.501942
  H      -2.472321     -8.184921      3.592298
  H      -3.063529     -5.025085     -0.137821
  H      -4.733893     -4.585886      0.281912
  H      -3.755283     -7.165918      0.545630
  H      -5.024422     -6.518739      1.624241
  C      -2.672433     -2.958102      1.397200
  C      -2.375333     -2.529041      0.076079
  C      -1.806866     -1.288685     -0.126482
  C      -1.549913     -0.411733      0.955999
  C      -1.807328     -0.813019      2.247473
  C      -2.312634     -2.112205      2.492589
  N      -2.606938     -2.615949      3.730925
  C      -2.065370     -2.100129      4.839043
  C      -0.746796     -1.566546      5.055640
  O      -0.371284     -0.929266      6.009912
  Cl      0.539178     -2.163525      3.850847
  C      -6.142034     -5.835490      4.679527
  C      -7.041531     -6.680908      5.366086
  C      -8.290047     -6.195907      5.726673
  C      -8.672614     -4.878834      5.409090
  C      -7.795540     -4.025666      4.753787
  C      -6.512307     -4.486137      4.405713
  N      -5.540883     -3.759436      3.738457
  C      -5.738346     -2.404027      3.608542
  C      -5.506941     -1.731479      2.392957
  O      -5.304229     -2.141901      1.266828
  Cl     -5.625300      0.118212      2.653480
  C      -1.324167     -5.086141      5.558278
  C      -0.010350     -5.313372      6.030171
  C       0.321198     -4.955220      7.324877
  C      -0.636170     -4.357605      8.173492
  C      -1.931498     -4.146003      7.740135
  C      -2.307653     -4.536386      6.436195
  N      -3.555162     -4.362988      5.881302
  C      -4.643933     -4.116576      6.659064
  C      -4.920110     -4.815939      7.872284
  O      -4.350837     -5.739040      8.413318
  Cl     -6.479066     -4.150153      8.631634
  H      -2.638672     -3.147868     -0.779512
  H      -1.600813     -0.955957     -1.145122
  H      -1.180949      0.595514      0.761780
  H      -1.659926     -0.131490      3.084540
  H      -2.639125     -2.180471      5.760177
  H      -6.752873     -7.696210      5.635216
  H      -8.981608     -6.843649      6.266917
  H      -9.666826     -4.523535      5.682365
  H      -8.097585     -3.011861      4.491439
  H      -6.193243     -1.850158      4.431310
  H       0.748088     -5.724952      5.365749
  H       1.341654     -5.101682      7.680936
  H      -0.345723     -4.038888      9.175109
  H      -2.659536     -3.657349      8.385759
  H      -5.425718     -3.475414      6.266230
71
Coordinates from ORCA-job orca E -7243.129841498087
  N      -3.296495     -4.105322      1.743067
  C      -3.788588     -4.980718      0.688148
  C      -3.993626     -6.374865      1.277818
  N      -3.122709     -6.510415      2.473422
  C      -3.413888     -7.773884      3.215392
  C      -4.388205     -7.505508      4.368998
  N      -4.900611     -6.156168      4.217123
  Mo     -3.608984     -4.667021      3.706799
  N      -1.771681     -5.331168      4.295037
  C      -0.895542     -6.078141      3.394443
  C      -1.675790     -6.427270      2.132408
  H      -0.538369     -6.984725      3.912043
  H      -0.005439     -5.485859      3.124914
  H      -1.340656     -7.384678      1.701863
  H      -1.543723     -5.649595      1.375777
  H      -5.208638     -8.237593      4.355816
  H      -3.870386     -7.601323      5.338102
  H      -3.826347     -8.501572      2.501425
  H      -2.469765     -8.181501      3.592837
  H      -3.062193     -5.024965     -0.138206
  H      -4.732724     -4.584759      0.280065
  H      -3.756976     -7.164864      0.545033
  H      -5.024530     -6.516487      1.624653
  C      -2.671894     -2.956711      1.396697
  C      -2.374506     -2.527329      0.075884
  C      -1.805912     -1.286911     -0.126165
  C      -1.548928     -0.410408      0.956649
  C      -1.806717     -0.812226      2.247960
  C      -2.312446     -2.111248      2.492421
  N      -2.607338     -2.615580      3.730602
  C      -2.065614     -2.100335      4.838915
  C      -0.747015     -1.566613      5.054938
  O      -0.371799     -0.928133      6.008544
  Cl      0.538973     -2.165461      3.851093
  C      -6.140407     -5.836265      4.681110
  C      -7.038537     -6.681579      5.369525
  C      -8.286820     -6.197115      5.731500
  C      -8.670595     -4.880473      5.413444
  C      -7.794932     -4.027369      4.756223
  C      -6.511931     -4.487319      4.406784
  N      -5.541550     -3.760522      3.738147
  C      -5.740134     -2.405474      3.605812
  C      -5.509655     -1.734193      2.389515
  O      -5.306604     -2.145402      1.263640
  Cl     -5.630320      0.115695      2.648045
  C      -1.325757     -5.087926      5.558105
  C      -0.012712     -5.318104      6.031034
  C       0.318741     -4.961201      7.325980
  C      -0.637982     -4.361550      8.174071
  C      -1.932515     -4.147539      7.739868
  C      -2.308931     -4.537202      6.435753
  N      -3.556031     -4.361912      5.880517
  C      -4.644614     -4.112936      6.657275
  C      -4.922905     -4.809559      7.871703
  O      -4.356058     -5.733040      8.414498
  Cl     -6.481091     -4.139237      8.628883
  H      -2.637982     -3.145895     -0.779872
  H      -1.599857     -0.953785     -1.144676
  H      -1.179539      0.596751      0.762850
  H      -1.659411     -0.131198      3.085466
  H      -2.639381     -2.179685      5.760085
  H      -6.748990     -7.696651      5.638564
  H      -8.977225     -6.844846      6.273220
  H      -9.664455     -4.525336      5.688164
  H      -8.098044     -3.013922      4.493742
  H      -6.194745     -1.850385      4.427925
  H       0.745240     -5.730953      5.366860
  H       1.338634     -5.109974      7.682679
  H      -0.347513     -4.043331      9.175826
  H      -2.659840     -3.657174      8.384945
  H      -5.425522     -3.471631      6.262976
71
Coordinates from ORCA-job orca E -7243.129847200708
  N      -3.296704     -4.104406      1.742552
  C      -3.789689     -4.979885      0.688269
  C      -3.994854     -6.373917      1.278120
  N      -3.122791     -6.510036      2.472539
  C      -3.412962     -7.773327      3.214762
  C      -4.386300     -7.505063      4.369296
  N      -4.900266     -6.156621      4.217399
  Mo     -3.609717     -4.666347      3.705751
  N      -1.772043     -5.331310      4.294208
  C      -0.895447     -6.077681      3.393526
  C      -1.675895     -6.426487      2.131194
  H      -0.538542     -6.984675      3.910642
  H      -0.004927     -5.485795      3.124682
  H      -1.340277     -7.383546      1.700173
  H      -1.543779     -5.648689      1.374719
  H      -5.205928     -8.238344      4.357496
  H      -3.867936     -7.600665      5.337976
  H      -3.824149     -8.502147      2.501473
  H      -2.468430     -8.178591      3.593925
  H      -3.063703     -5.024614     -0.138464
  H      -4.733967     -4.583928      0.280628
  H      -3.759943     -7.163713      0.544490
  H      -5.025400     -6.515119      1.626166
  C      -2.671476     -2.956018      1.396759
  C      -2.373535     -2.526926      0.076141
  C      -1.804146     -1.286814     -0.125818
  C      -1.547022     -0.410541      0.957106
  C      -1.805640     -0.812360      2.248354
  C      -2.312262     -2.110902      2.492637
  N      -2.607946     -2.615529      3.730778
  C      -2.065990     -2.101274      4.839353
  C      -0.747433     -1.567057      5.054962
  O      -0.373104     -0.927772      6.008395
  Cl      0.538869     -2.166307      3.851783
  C      -6.139630     -5.836527      4.682348
  C      -7.037237     -6.681659      5.371289
  C      -8.285601     -6.197512      5.733540
  C      -8.669887     -4.881081      5.415116
  C      -7.794638     -4.028089      4.757170
  C      -6.511786     -4.487835      4.407313
  N      -5.541786     -3.760881      3.738510
  C      -5.740318     -2.405911      3.604886
  C      -5.510205     -1.735557      2.388314
  O      -5.307528     -2.147434      1.262437
  Cl     -5.630824      0.114534      2.645485
  C      -1.326669     -5.088157      5.557538
  C      -0.013982     -5.319367      6.031086
  C       0.317416     -4.962581      7.326018
  C      -0.639143     -4.361840      8.173726
  C      -1.933294     -4.147279      7.739028
  C      -2.309785     -4.537018      6.434976
  N      -3.556959     -4.362207      5.879872
  C      -4.645520     -4.112950      6.656292
  C      -4.924276     -4.808529      7.871198
  O      -4.357965     -5.732019      8.414452
  Cl     -6.482507     -4.137073      8.627691
  H      -2.637297     -3.145598     -0.779450
  H      -1.597702     -0.953794     -1.144282
  H      -1.176633      0.596288      0.763581
  H      -1.658214     -0.131473      3.085963
  H      -2.639797     -2.180399      5.760515
  H      -6.747741     -7.696827      5.640135
  H      -8.975555     -6.845398      6.275634
  H      -9.663586     -4.525934      5.690365
  H      -8.098102     -3.014780      4.494487
  H      -6.194237     -1.849942      4.426821
  H       0.743859     -5.732753      5.367137
  H       1.337083     -5.112221      7.682993
  H      -0.348743     -4.043422      9.175429
  H      -2.660532     -3.656081      8.383561
  H      -5.426377     -3.471879      6.261557
71
Coordinates from ORCA-job orca E -7243.129848777259
  N      -3.297572     -4.104021      1.742544
  C      -3.791309     -4.979652      0.688820
  C      -3.995205     -6.373912      1.278585
  N      -3.122498     -6.509813      2.472321
  C      -3.412296     -7.772708      3.214973
  C      -4.385002     -7.504364      4.370010
  N      -4.900104     -6.156518      4.217727
  Mo     -3.609902     -4.666072      3.705480
  N      -1.772143     -5.331093      4.294134
  C      -0.895045     -6.076270      3.392927
  C      -1.675754     -6.425706      2.130728
  H      -0.537156     -6.983133      3.909652
  H      -0.005047     -5.483655      3.124093
  H      -1.339663     -7.382557      1.699628
  H      -1.544174     -5.647836      1.374205
  H      -5.203992     -8.238474      4.359624
  H      -3.865455     -7.599243      5.338045
  H      -3.822855     -8.502297      2.502203
  H      -2.467590     -8.177093      3.594884
  H      -3.066244     -5.023885     -0.138744
  H      -4.736284     -4.584191      0.282329
  H      -3.760423     -7.163188      0.544311
  H      -5.025492     -6.515892      1.627028
  C      -2.671760     -2.955973      1.396617
  C      -2.373940     -2.527187      0.075938
  C      -1.803744     -1.287456     -0.126249
  C      -1.545851     -0.411384      0.956623
  C      -1.804565     -0.813010      2.247958
  C      -2.312002     -2.111129      2.492413
  N      -2.607941     -2.615702      3.730568
  C      -2.065801     -2.101587      4.839175
  C      -0.746980     -1.568031      5.054630
  O      -0.372385     -0.928934      6.008098
  Cl      0.539048     -2.167823      3.851297
  C      -6.139375     -5.836403      4.682642
  C      -7.037009     -6.681517      5.371345
  C      -8.285575     -6.197538      5.733300
  C      -8.669943     -4.881162      5.414722
  C      -7.794552     -4.028160      4.756940
  C      -6.511617     -4.487779      4.407304
  N      -5.541754     -3.760631      3.738749
  C      -5.740036     -2.405594      3.605381
  C      -5.510471     -1.735264      2.388827
  O      -5.308457     -2.147269      1.262793
  Cl     -5.630467      0.114812      2.645873
  C      -1.326995     -5.088083      5.557559
  C      -0.014316     -5.319174      6.031236
  C       0.316920     -4.962699      7.326268
  C      -0.639836     -4.362301      8.174092
  C      -1.933921     -4.147941      7.739289
  C      -2.310296     -4.537411      6.435108
  N      -3.557376     -4.362546      5.879960
  C      -4.646086     -4.113497      6.656128
  C      -4.925351     -4.809239      7.870818
  O      -4.359370     -5.733029      8.413909
  Cl     -6.483652     -4.137657      8.627013
  H      -2.638379     -3.145904     -0.779406
  H      -1.597283     -0.954628     -1.144767
  H      -1.174669      0.595151      0.763117
  H      -1.656453     -0.132156      3.085480
  H      -2.639985     -2.179833      5.760166
  H      -6.747785     -7.696768      5.640233
  H      -8.975525     -6.845639      6.275134
  H      -9.663730     -4.526084      5.689727
  H      -8.097947     -3.014872      4.494055
  H      -6.193428     -1.849699      4.427676
  H       0.743726     -5.732139      5.367255
  H       1.336606     -5.112274      7.683212
  H      -0.349562     -4.043978      9.175857
  H      -2.661370     -3.656913      8.383711
  H      -5.426591     -3.471988      6.261420
