98
Coordinates from ORCA-job orca E -6374.028171993161
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
98
Coordinates from ORCA-job orca E -6374.041334512075
  N      -2.869240      0.531853      4.651222
  Mo     -3.519952      2.367930      4.832626
  N      -4.851852      2.028386      6.198207
  C      -4.388089      1.826333      7.571853
  C      -2.973831      1.247312      7.568106
  N      -2.133426      1.982836      6.595901
  C      -1.026170      1.145362      6.096153
  C      -1.587381      0.071852      5.141550
  C      -1.607618      3.243247      7.165911
  C      -1.651564      4.288262      6.041754
  N      -2.965266      4.178498      5.440651
  H      -0.867101     -0.090769      4.322245
  H      -1.704874     -0.892553      5.668110
  H      -0.336188      1.799602      5.550002
  H      -0.480359      0.678254      6.932646
  H      -1.456627      5.294265      6.442054
  H      -0.869683      4.066435      5.295636
  H      -2.269944      3.574447      7.974593
  H      -0.593793      3.104594      7.569688
  H      -5.051291      1.128237      8.110533
  H      -4.407608      2.781886      8.129202
  H      -3.030727      0.199327      7.252561
  H      -2.528758      1.284298      8.575245
  C      -3.849787     -0.509628      4.422361
  C      -3.489982     -1.441708      3.247439
  C      -3.391577     -0.678044      1.939307
  O      -4.716027     -0.253614      1.566578
  C      -4.813214      0.194377      0.270010
  C      -5.615365     -0.485940     -0.631042
  C      -5.723071     -0.001713     -1.944114
  N      -5.093954      1.073277     -2.395198
  C      -4.306305      1.758361     -1.525994
  C      -3.631886      2.922856     -1.960432
  C      -2.851828      3.620693     -1.058553
  C      -2.753971      3.156063      0.261994
  N      -3.359902      2.066275      0.712358
  C      -4.128937      1.365756     -0.159512
  C      -3.886290      5.258752      5.751169
  C      -4.958398      5.384980      4.665744
  C      -4.353602      5.787101      3.318290
  O      -5.035663      5.177916      2.220368
  C      -6.292479      5.578953      1.907627
  C      -6.906438      6.741199      2.346721
  C      -8.179276      7.062798      1.847865
  N      -8.837470      6.352161      0.948725
  C      -8.262176      5.200653      0.516386
  C      -8.921640      4.409247     -0.455528
  C      -8.350521      3.214361     -0.837592
  C      -7.157489      2.805247     -0.218651
  N      -6.486625      3.523408      0.666112
  C      -7.007708      4.729752      1.009889
  C      -6.297320      1.947377      6.093996
  C      -7.070703      3.097713      6.794509
  C      -8.320210      3.499605      6.018313
  O      -7.944845      4.046181      4.743577
  C      -8.919073      3.894748      3.776658
  C      -9.924518      4.838853      3.633353
  C     -10.896407      4.649421      2.644966
  N     -10.924207      3.608697      1.823002
  C      -9.951081      2.670740      1.951220
  C      -9.944850      1.551378      1.090943
  C      -8.951479      0.593902      1.237229
  C      -7.956924      0.789401      2.199690
  N      -7.909329      1.837634      3.021036
  C      -8.897382      2.766963      2.916438
  H      -3.975742     -1.134552      5.330136
  H      -4.815796     -0.030516      4.199790
  H      -2.524466     -1.929020      3.433529
  H      -4.261294     -2.217818      3.156366
  H      -2.980460     -1.320330      1.144203
  H      -2.745919      0.205089      2.054564
  H      -6.150216     -1.378166     -0.315024
  H      -6.349630     -0.523194     -2.669739
  H      -3.753327      3.241457     -2.992888
  H      -2.321756      4.522447     -1.356716
  H      -2.147772      3.687036      0.997435
  H      -3.342774      6.217510      5.833137
  H      -4.389941      5.081608      6.722090
  H      -5.725874      6.106097      4.971457
  H      -5.445273      4.406025      4.543683
  H      -3.334722      5.387249      3.234952
  H      -4.316386      6.881200      3.200444
  H      -6.426848      7.412437      3.053348
  H      -8.677914      7.972369      2.188267
  H      -9.868348      4.757601     -0.858868
  H      -8.823960      2.566342     -1.571823
  H      -6.736793      1.826718     -0.443501
  H      -6.643747      0.991600      6.533037
  H      -6.574100      1.949012      5.025876
  H      -6.416218      3.974727      6.875393
  H      -7.385619      2.802912      7.803296
  H      -8.895006      4.261338      6.570748
  H      -8.968278      2.622343      5.862075
  H      -9.944559      5.717185      4.273645
  H     -11.687821      5.385577      2.501627
  H     -10.721935      1.469775      0.335046
  H      -8.924351     -0.285225      0.597509
  H      -7.133191      0.079215      2.306677
98
Coordinates from ORCA-job orca E -6374.047881203910
  N      -2.856947      0.515883      4.657459
  Mo     -3.510693      2.366040      4.880021
  N      -4.873860      2.028290      6.213488
  C      -4.421562      1.812232      7.599513
  C      -3.014079      1.222091      7.603756
  N      -2.149387      1.964461      6.639259
  C      -1.030046      1.126922      6.134736
  C      -1.571505      0.063188      5.162030
  C      -1.618201      3.226823      7.225251
  C      -1.639185      4.275454      6.107766
  N      -2.953294      4.190142      5.489364
  H      -0.833809     -0.085065      4.350596
  H      -1.688618     -0.913898      5.675254
  H      -0.335653      1.797565      5.605225
  H      -0.486935      0.653143      6.976624
  H      -1.435249      5.282570      6.516128
  H      -0.844907      4.046151      5.372190
  H      -2.288180      3.555851      8.033944
  H      -0.605923      3.070355      7.641865
  H      -5.096653      1.111894      8.129205
  H      -4.438984      2.766683      8.169708
  H      -3.071906      0.174104      7.275991
  H      -2.574248      1.247118      8.619391
  C      -3.822838     -0.553425      4.399997
  C      -3.434490     -1.477591      3.221720
  C      -3.357953     -0.738359      1.902847
  O      -4.713545     -0.383827      1.536337
  C      -4.872650      0.046056      0.247968
  C      -5.643084     -0.705004     -0.629499
  C      -5.827392     -0.242643     -1.952197
  N      -5.299260      0.887149     -2.436173
  C      -4.544483      1.644067     -1.577879
  C      -3.979215      2.865653     -2.031780
  C      -3.236380      3.637209     -1.152451
  C      -3.060268      3.189710      0.177024
  N      -3.562092      2.047760      0.651955
  C      -4.297222      1.274791     -0.204508
  C      -3.881268      5.283913      5.793016
  C      -4.940407      5.463868      4.698473
  C      -4.299861      5.898953      3.380994
  O      -4.986644      5.353315      2.247122
  C      -6.206068      5.833127      1.948284
  C      -6.754050      7.024329      2.414081
  C      -8.017838      7.428181      1.922736
  N      -8.729135      6.766550      1.008730
  C      -8.207139      5.578470      0.560575
  C      -8.916285      4.812278     -0.403114
  C      -8.414149      3.581661     -0.785259
  C      -7.217712      3.110881     -0.185969
  N      -6.500953      3.801256      0.692525
  C      -6.967885      5.034098      1.041287
  C      -6.329319      1.959168      6.061616
  C      -7.137780      3.103741      6.745939
  C      -8.372672      3.480787      5.940850
  O      -7.958500      4.004490      4.665447
  C      -8.875722      3.792282      3.667820
  C      -9.869156      4.713178      3.373849
  C     -10.770429      4.432468      2.322266
  N     -10.731911      3.322647      1.576252
  C      -9.757301      2.403657      1.864197
  C      -9.655504      1.215580      1.095407
  C      -8.676430      0.284578      1.413445
  C      -7.769566      0.569279      2.458547
  N      -7.798100      1.687632      3.188562
  C      -8.782794      2.590833      2.909600
  H      -3.936553     -1.181819      5.310315
  H      -4.805767     -0.099982      4.178488
  H      -2.449146     -1.938503      3.417780
  H      -4.185099     -2.284707      3.136132
  H      -2.924272     -1.379400      1.112441
  H      -2.746752      0.172482      1.999967
  H      -6.097638     -1.642622     -0.289334
  H      -6.435052     -0.832782     -2.655513
  H      -4.156238      3.168904     -3.070260
  H      -2.791286      4.587293     -1.472147
  H      -2.476710      3.789265      0.891918
  H      -3.322641      6.237803      5.902313
  H      -4.399018      5.097397      6.758377
  H      -5.698261      6.196372      5.021005
  H      -5.462947      4.497339      4.529825
  H      -3.291122      5.472538      3.300599
  H      -4.227091      7.001326      3.306268
  H      -6.228914      7.658244      3.136372
  H      -8.459629      8.368181      2.290147
  H      -9.861133      5.206959     -0.792327
  H      -8.948598      2.944152     -1.501145
  H      -6.842444      2.104089     -0.414891
  H      -6.684115      0.995868      6.485477
  H      -6.575114      1.964461      4.970837
  H      -6.488093      3.990921      6.848898
  H      -7.483916      2.806998      7.752519
  H      -8.983567      4.240004      6.466777
  H      -8.999246      2.584105      5.775770
  H      -9.933907      5.652914      3.933505
  H     -11.550949      5.161902      2.060552
  H     -10.352099      1.071059      0.261403
  H      -8.580973     -0.648727      0.845133
  H      -6.957720     -0.130688      2.696865
98
Coordinates from ORCA-job orca E -6374.055616358565
  N      -2.851199      0.500243      4.653599
  Mo     -3.506745      2.350073      4.896918
  N      -4.864593      2.036696      6.235931
  C      -4.409372      1.833731      7.618676
  C      -3.004992      1.238713      7.615160
  N      -2.145102      1.967371      6.637173
  C      -1.031350      1.123027      6.135073
  C      -1.572738      0.050348      5.172018
  C      -1.611911      3.238683      7.201106
  C      -1.625045      4.271444      6.068639
  N      -2.935459      4.189035      5.447644
  H      -0.830958     -0.109710      4.368143
  H      -1.693654     -0.920395      5.692972
  H      -0.339077      1.789821      5.602117
  H      -0.486519      0.661492      6.979597
  H      -1.414848      5.280933      6.463007
  H      -0.830227      4.029050      5.340366
  H      -2.281376      3.577179      8.003907
  H      -0.604131      3.081217      7.622486
  H      -5.083096      1.142508      8.158983
  H      -4.420047      2.791338      8.178769
  H      -3.064358      0.190000      7.295221
  H      -2.555292      1.271048      8.623789
  C      -3.813808     -0.565648      4.394818
  C      -3.428222     -1.495087      3.225557
  C      -3.345199     -0.761135      1.904460
  O      -4.694543     -0.385261      1.534126
  C      -4.833640      0.071961      0.252093
  C      -5.624924     -0.632743     -0.642407
  C      -5.786721     -0.139970     -1.952781
  N      -5.220539      0.974440     -2.414110
  C      -4.445836      1.685089     -1.541148
  C      -3.838635      2.890967     -1.971273
  C      -3.073826      3.617933     -1.077813
  C      -2.916819      3.139621      0.239276
  N      -3.458807      2.012484      0.692508
  C      -4.217861      1.286256     -0.177142
  C      -3.857443      5.283243      5.746632
  C      -4.929715      5.442108      4.665749
  C      -4.312713      5.875693      3.338226
  O      -5.007313      5.321051      2.211506
  C      -6.237863      5.780790      1.911132
  C      -6.815560      6.951916      2.385558
  C      -8.081167      7.332981      1.890475
  N      -8.770638      6.675875      0.965132
  C      -8.224090      5.507598      0.509883
  C      -8.916895      4.739715     -0.459010
  C      -8.399124      3.520603     -0.843729
  C      -7.197149      3.068026     -0.251077
  N      -6.494940      3.761198      0.632357
  C      -6.982202      4.979864      0.990545
  C      -6.311966      1.973360      6.076471
  C      -7.103999      3.120378      6.758556
  C      -8.356470      3.486591      5.979050
  O      -7.990631      4.017605      4.687848
  C      -8.945028      3.800086      3.723332
  C      -9.951230      4.719268      3.481667
  C     -10.898497      4.446024      2.475145
  N     -10.890937      3.354286      1.712305
  C      -9.894640      2.446342      1.930422
  C      -9.804819      1.294419      1.111577
  C      -8.796029      0.374941      1.345857
  C      -7.853954      0.634422      2.359978
  N      -7.871284      1.719905      3.133846
  C      -8.879159      2.614991      2.934596
  H      -3.934485     -1.185925      5.308049
  H      -4.792627     -0.110191      4.171964
  H      -2.449369     -1.962012      3.424372
  H      -4.179049     -2.298719      3.146444
  H      -2.920059     -1.405397      1.115177
  H      -2.726980      0.144439      1.999713
  H      -6.111664     -1.556897     -0.324051
  H      -6.408818     -0.693628     -2.665372
  H      -4.001700      3.217677     -3.000685
  H      -2.597257      4.554468     -1.376469
  H      -2.318566      3.704791      0.962327
  H      -3.299053      6.236576      5.842294
  H      -4.363740      5.109424      6.718504
  H      -5.689285      6.165404      4.996282
  H      -5.447569      4.474693      4.512290
  H      -3.301125      5.459300      3.248355
  H      -4.249946      6.975165      3.256254
  H      -6.313265      7.585927      3.116629
  H      -8.541653      8.254904      2.265601
  H      -9.866088      5.118510     -0.842564
  H      -8.928611      2.876525     -1.549733
  H      -6.804697      2.074892     -0.490061
  H      -6.672672      1.012853      6.498173
  H      -6.552630      1.978277      4.991865
  H      -6.456203      4.007463      6.849279
  H      -7.429007      2.830317      7.771141
  H      -8.955152      4.241258      6.520550
  H      -8.983788      2.589106      5.833902
  H      -9.987595      5.654250      4.044559
  H     -11.689418      5.173205      2.262848
  H     -10.521769      1.177669      0.295931
  H      -8.701910     -0.524248      0.732800
  H      -7.018616     -0.054016      2.525619
98
Coordinates from ORCA-job orca E -6374.060064593136
  N      -2.899789      0.474273      4.639241
  Mo     -3.534540      2.334497      4.927980
  N      -4.876249      2.059567      6.284952
  C      -4.405167      1.867038      7.660740
  C      -3.012235      1.251762      7.629384
  N      -2.162855      1.957239      6.623132
  C      -1.067904      1.092940      6.110046
  C      -1.626761      0.017146      5.162100
  C      -1.604581      3.233358      7.158978
  C      -1.608235      4.247441      6.011719
  N      -2.922947      4.187953      5.400216
  H      -0.886201     -0.159303      4.360567
  H      -1.753923     -0.948474      5.690637
  H      -0.377281      1.751758      5.567107
  H      -0.515206      0.639393      6.952640
  H      -1.371216      5.257571      6.387909
  H      -0.822840      3.977881      5.284117
  H      -2.260585      3.588743      7.964399
  H      -0.598209      3.059466      7.575467
  H      -5.077221      1.190939      8.221367
  H      -4.392918      2.828307      8.211650
  H      -3.087392      0.202529      7.316657
  H      -2.535909      1.286252      8.624743
  C      -3.869110     -0.578164      4.366326
  C      -3.500826     -1.492556      3.184957
  C      -3.395689     -0.736247      1.877740
  O      -4.730903     -0.297585      1.511610
  C      -4.846676      0.222139      0.251771
  C      -5.694006     -0.385346     -0.661484
  C      -5.832392      0.168641     -1.947274
  N      -5.194448      1.253715     -2.374837
  C      -4.364312      1.869961     -1.484038
  C      -3.677507      3.043317     -1.876778
  C      -2.853359      3.677783     -0.969223
  C      -2.717248      3.139053      0.324699
  N      -3.334666      2.041320      0.744554
  C      -4.153133      1.407121     -0.140098
  C      -3.822139      5.299699      5.687738
  C      -4.912376      5.429611      4.624738
  C      -4.320035      5.818880      3.273391
  O      -5.029891      5.229264      2.169229
  C      -6.260594      5.680169      1.856498
  C      -6.839705      6.860267      2.302240
  C      -8.101838      7.231394      1.795545
  N      -8.796392      6.557547      0.891403
  C      -8.252171      5.378512      0.466744
  C      -8.948553      4.590762     -0.480840
  C      -8.431919      3.367968     -0.847681
  C      -7.226183      2.928447     -0.257250
  N      -6.521769      3.639746      0.607612
  C      -7.009386      4.861365      0.950032
  C      -6.318861      2.010956      6.123391
  C      -7.091381      3.172046      6.787406
  C      -8.350333      3.517368      6.015047
  O      -7.996503      4.027354      4.707126
  C      -8.950410      3.783735      3.748639
  C      -9.956020      4.695832      3.490289
  C     -10.904829      4.404805      2.491670
  N     -10.906462      3.301877      1.752152
  C      -9.907940      2.401846      1.981137
  C      -9.825631      1.235328      1.184099
  C      -8.812125      0.325652      1.419841
  C      -7.864630      0.600511      2.423821
  N      -7.882143      1.692631      3.183325
  C      -8.888738      2.584953      2.976012
  H      -4.000921     -1.203864      5.273842
  H      -4.841416     -0.107041      4.153665
  H      -2.535118     -1.986606      3.375982
  H      -4.264881     -2.280909      3.095554
  H      -2.993839     -1.373755      1.072869
  H      -2.750866      0.147658      1.991621
  H      -6.241339     -1.283416     -0.375813
  H      -6.498181     -0.312907     -2.668904
  H      -3.827685      3.418204     -2.889451
  H      -2.313666      4.586048     -1.237821
  H      -2.069952      3.632541      1.053795
  H      -3.250297      6.247256      5.749342
  H      -4.312503      5.162379      6.673207
  H      -5.664944      6.159691      4.953191
  H      -5.437994      4.464786      4.512130
  H      -3.310726      5.398379      3.184958
  H      -4.254477      6.912932      3.151498
  H      -6.340121      7.509572      3.017828
  H      -8.556116      8.161095      2.151449
  H      -9.897336      4.962079     -0.867940
  H      -8.960634      2.715933     -1.542531
  H      -6.828216      1.937901     -0.490288
  H      -6.692454      1.057383      6.549166
  H      -6.554977      2.005372      5.045479
  H      -6.441350      4.057978      6.859006
  H      -7.404684      2.905531      7.809053
  H      -8.946380      4.279610      6.546166
  H      -8.976617      2.616969      5.892865
  H      -9.991825      5.639223      4.034544
  H     -11.695555      5.128072      2.276336
  H     -10.552042      1.102271      0.381909
  H      -8.718885     -0.580291      0.820864
  H      -7.031900     -0.087937      2.592878
98
Coordinates from ORCA-job orca E -6374.063313945799
  N      -2.903878      0.479335      4.645730
  Mo     -3.541489      2.342926      4.993347
  N      -4.883145      2.071178      6.343111
  C      -4.414405      1.869404      7.716510
  C      -3.025485      1.251419      7.667774
  N      -2.181803      1.961686      6.655791
  C      -1.085967      1.100449      6.136760
  C      -1.635790      0.028361      5.185212
  C      -1.618218      3.239133      7.192294
  C      -1.607066      4.250577      6.046736
  N      -2.917891      4.211601      5.427155
  H      -0.882976     -0.146706      4.394008
  H      -1.762917     -0.939719      5.710489
  H      -0.397719      1.767858      5.601990
  H      -0.531299      0.650199      6.979780
  H      -1.358134      5.257400      6.425269
  H      -0.818788      3.973802      5.325395
  H      -2.275399      3.592038      7.997364
  H      -0.616845      3.051605      7.615216
  H      -5.085192      1.191200      8.276719
  H      -4.398020      2.825263      8.275258
  H      -3.098979      0.205761      7.343155
  H      -2.536760      1.277010      8.657411
  C      -3.853517     -0.584524      4.351947
  C      -3.450114     -1.501181      3.186643
  C      -3.336935     -0.783186      1.859048
  O      -4.678986     -0.414652      1.427350
  C      -4.767820      0.064050      0.150544
  C      -5.522284     -0.632730     -0.780632
  C      -5.627415     -0.142991     -2.093846
  N      -5.047858      0.966359     -2.536339
  C      -4.317578      1.675771     -1.628071
  C      -3.704185      2.883976     -2.034313
  C      -2.983960      3.616908     -1.114954
  C      -2.876859      3.139933      0.205123
  N      -3.427144      2.014381      0.639277
  C      -4.144376      1.283683     -0.257591
  C      -3.805582      5.327577      5.723682
  C      -4.907052      5.459265      4.677559
  C      -4.333322      5.853817      3.321817
  O      -5.055097      5.268348      2.220367
  C      -6.287637      5.715894      1.919099
  C      -6.878587      6.880091      2.388323
  C      -8.142529      7.250972      1.886952
  N      -8.835075      6.593445      0.971525
  C      -8.279596      5.427507      0.524751
  C      -8.966369      4.654284     -0.441117
  C      -8.435135      3.449309     -0.841546
  C      -7.224977      3.008444     -0.263353
  N      -6.530931      3.707240      0.618392
  C      -7.032661      4.911886      0.993127
  C      -6.319350      2.031641      6.154246
  C      -7.093760      3.183800      6.818165
  C      -8.354198      3.521381      6.049391
  O      -8.009843      4.058809      4.744589
  C      -8.966122      3.827410      3.787258
  C      -9.986669      4.731520      3.571627
  C     -10.949282      4.459860      2.580408
  N     -10.954456      3.383381      1.807856
  C      -9.935202      2.495531      1.986073
  C      -9.851819      1.359554      1.146342
  C      -8.812673      0.467507      1.316400
  C      -7.846395      0.721946      2.309318
  N      -7.874204      1.776716      3.115538
  C      -8.900227      2.657432      2.966325
  H      -3.987155     -1.207385      5.261351
  H      -4.831723     -0.130405      4.130010
  H      -2.476812     -1.967326      3.405752
  H      -4.187000     -2.315473      3.103623
  H      -2.894646     -1.433833      1.087755
  H      -2.729143      0.127918      1.953749
  H      -6.016518     -1.558042     -0.488647
  H      -6.216147     -0.703649     -2.823977
  H      -3.829193      3.205710     -3.067607
  H      -2.504082      4.554482     -1.392268
  H      -2.310978      3.715314      0.940711
  H      -3.226572      6.271156      5.782234
  H      -4.286017      5.196465      6.715473
  H      -5.657954      6.182783      5.023790
  H      -5.435297      4.498726      4.570725
  H      -3.325125      5.434019      3.221738
  H      -4.268733      6.947087      3.199158
  H      -6.386720      7.518357      3.117594
  H      -8.599489      8.169700      2.264996
  H      -9.917319      5.025710     -0.821296
  H      -8.952042      2.814134     -1.558658
  H      -6.810558      2.034621     -0.528105
  H      -6.705803      1.072126      6.555838
  H      -6.533747      2.039242      5.076706
  H      -6.449636      4.072253      6.904229
  H      -7.406279      2.910859      7.838361
  H      -8.959277      4.269899      6.588253
  H      -8.971938      2.617415      5.916191
  H     -10.027823      5.654738      4.147057
  H     -11.753585      5.179455      2.411073
  H     -10.599425      1.240183      0.362468
  H      -8.712675     -0.410001      0.679165
  H      -6.995931      0.043704      2.426255
98
Coordinates from ORCA-job orca E -6374.067074843178
  N      -2.903917      0.470696      4.641654
  Mo     -3.546738      2.333516      5.016669
  N      -4.888696      2.075163      6.367358
  C      -4.423520      1.873035      7.742638
  C      -3.036799      1.251292      7.691635
  N      -2.197586      1.957778      6.670885
  C      -1.100554      1.091860      6.160017
  C      -1.648303      0.016697      5.211607
  C      -1.633847      3.239120      7.201633
  C      -1.600283      4.237575      6.045246
  N      -2.901490      4.211456      5.399726
  H      -0.881743     -0.175653      4.436683
  H      -1.790885     -0.945364      5.746086
  H      -0.407321      1.755809      5.626138
  H      -0.549888      0.645065      7.008647
  H      -1.343763      5.245167      6.418971
  H      -0.802594      3.946770      5.338809
  H      -2.300380      3.601715      7.995302
  H      -0.639492      3.048613      7.641511
  H      -5.095787      1.196990      8.304673
  H      -4.403707      2.829563      8.301375
  H      -3.113257      0.205193      7.367461
  H      -2.541535      1.277370      8.678884
  C      -3.843175     -0.597207      4.329835
  C      -3.423760     -1.507756      3.165465
  C      -3.314208     -0.786155      1.842089
  O      -4.664116     -0.435242      1.419291
  C      -4.771593      0.066086      0.155258
  C      -5.559290     -0.602346     -0.769836
  C      -5.697774     -0.081842     -2.069309
  N      -5.120830      1.033381     -2.502493
  C      -4.357084      1.715461     -1.598785
  C      -3.744311      2.928889     -1.994543
  C      -2.988839      3.633106     -1.080111
  C      -2.845846      3.121898      0.225552
  N      -3.394499      1.991153      0.648418
  C      -4.146303      1.288404     -0.243577
  C      -3.776893      5.340679      5.681720
  C      -4.880263      5.471060      4.635876
  C      -4.311300      5.852423      3.275085
  O      -5.042714      5.261474      2.183378
  C      -6.271350      5.719355      1.891227
  C      -6.852837      6.882134      2.377162
  C      -8.118130      7.267123      1.887800
  N      -8.821560      6.621555      0.970495
  C      -8.275606      5.455716      0.507604
  C      -8.978124      4.691944     -0.456036
  C      -8.457149      3.487361     -0.872757
  C      -7.237659      3.040174     -0.317598
  N      -6.531501      3.728421      0.564481
  C      -7.026251      4.929842      0.959856
  C      -6.325559      2.040308      6.168054
  C      -7.105282      3.196469      6.823811
  C      -8.373241      3.516950      6.059083
  O      -8.031638      4.045505      4.750467
  C      -8.980811      3.797660      3.792582
  C     -10.002307      4.696537      3.554839
  C     -10.955611      4.409303      2.557441
  N     -10.947365      3.322980      1.797259
  C      -9.923673      2.441961      1.994995
  C      -9.820614      1.301308      1.162564
  C      -8.774531      0.419764      1.348331
  C      -7.822493      0.687810      2.353594
  N      -7.870828      1.746110      3.154076
  C      -8.901363      2.618770      2.985891
  H      -3.984450     -1.225964      5.234931
  H      -4.822759     -0.147463      4.100155
  H      -2.446316     -1.965713      3.387581
  H      -4.150566     -2.331530      3.076130
  H      -2.867685     -1.430583      1.067224
  H      -2.718375      0.133052      1.938774
  H      -6.056309     -1.529419     -0.483750
  H      -6.313978     -0.621752     -2.794747
  H      -3.897885      3.276461     -3.016728
  H      -2.507589      4.573752     -1.349152
  H      -2.249976      3.674210      0.957230
  H      -3.188198      6.279751      5.727879
  H      -4.258200      5.229951      6.676742
  H      -5.628643      6.199793      4.979444
  H      -5.414256      4.511083      4.538808
  H      -3.305552      5.426881      3.172745
  H      -4.243689      6.944877      3.141517
  H      -6.352360      7.509502      3.112074
  H      -8.565620      8.186949      2.278887
  H      -9.934051      5.069486     -0.819862
  H      -8.989273      2.856152     -1.584982
  H      -6.829259      2.067224     -0.598921
  H      -6.721921      1.080715      6.561867
  H      -6.528428      2.049740      5.083509
  H      -6.466761      4.090694      6.896443
  H      -7.409127      2.935229      7.850636
  H      -8.984544      4.266360      6.590546
  H      -8.983906      2.606974      5.932403
  H     -10.050525      5.629255      4.116491
  H     -11.761394      5.125500      2.372473
  H     -10.556976      1.174112      0.367920
  H      -8.656328     -0.459514      0.714442
  H      -6.966024      0.018370      2.482623
98
Coordinates from ORCA-job orca E -6374.070116901115
  N      -2.925577      0.462910      4.637471
  Mo     -3.565604      2.323606      5.046661
  N      -4.902962      2.084932      6.405715
  C      -4.438961      1.882542      7.782637
  C      -3.056079      1.250414      7.726396
  N      -2.222651      1.946187      6.690687
  C      -1.131575      1.067791      6.184604
  C      -1.687330     -0.005595      5.238782
  C      -1.649000      3.229665      7.209687
  C      -1.588326      4.211064      6.038814
  N      -2.880473      4.203733      5.368927
  H      -0.909239     -0.222147      4.481134
  H      -1.854468     -0.959904      5.781843
  H      -0.429878      1.721955      5.649020
  H      -0.585755      0.618533      7.035816
  H      -1.316773      5.218335      6.404475
  H      -0.785591      3.899090      5.346552
  H      -2.320758      3.610560      7.990798
  H      -0.662221      3.033660      7.665138
  H      -5.114008      1.212394      8.348576
  H      -4.410117      2.840139      8.339944
  H      -3.144359      0.203645      7.406146
  H      -2.550010      1.276299      8.708466
  C      -3.859700     -0.599418      4.296166
  C      -3.425727     -1.497703      3.127039
  C      -3.304033     -0.757260      1.815529
  O      -4.655090     -0.403524      1.395853
  C      -4.777323      0.128093      0.147498
  C      -5.606745     -0.500835     -0.768801
  C      -5.768169      0.050020     -2.054345
  N      -5.175598      1.159850     -2.479684
  C      -4.370881      1.805132     -1.583863
  C      -3.740967      3.013000     -1.972361
  C      -2.943528      3.680065     -1.066020
  C      -2.776887      3.137534      0.225868
  N      -3.341884      2.012461      0.640181
  C      -4.134110      1.344295     -0.243887
  C      -3.732723      5.353894      5.634765
  C      -4.847027      5.477981      4.597504
  C      -4.291111      5.822262      3.221575
  O      -5.039909      5.211393      2.152942
  C      -6.263772      5.681529      1.863402
  C      -6.828148      6.854946      2.345611
  C      -8.092738      7.252934      1.863773
  N      -8.811417      6.606118      0.958584
  C      -8.283228      5.430463      0.498933
  C      -9.004828      4.668869     -0.452710
  C      -8.498697      3.458249     -0.871375
  C      -7.274135      3.004862     -0.331013
  N      -6.551449      3.690291      0.540682
  C      -7.033130      4.895814      0.940955
  C      -6.340720      2.059488      6.201974
  C      -7.117327      3.230063      6.838298
  C      -8.388203      3.532995      6.069650
  O      -8.039545      4.038224      4.754265
  C      -8.977920      3.773090      3.792051
  C     -10.001614      4.663382      3.527952
  C     -10.944254      4.354047      2.525860
  N     -10.922169      3.252782      1.786594
  C      -9.894822      2.380980      2.009156
  C      -9.779602      1.224172      1.200333
  C      -8.727682      0.354563      1.408997
  C      -7.785519      0.648590      2.417676
  N      -7.848899      1.719564      3.199877
  C      -8.883207      2.582755      3.006223
  H      -4.020686     -1.241306      5.189294
  H      -4.834618     -0.144472      4.054128
  H      -2.450873     -1.960145      3.353691
  H      -4.150553     -2.321472      3.017581
  H      -2.854451     -1.391791      1.033695
  H      -2.711008      0.161433      1.928310
  H      -6.118394     -1.422350     -0.487864
  H      -6.416609     -0.460436     -2.774191
  H      -3.915056      3.384851     -2.983329
  H      -2.446472      4.614805     -1.329473
  H      -2.144789      3.657585      0.951788
  H      -3.128664      6.284764      5.651866
  H      -4.206753      5.278328      6.637355
  H      -5.585007      6.220972      4.933952
  H      -5.392136      4.519364      4.528010
  H      -3.290309      5.385281      3.118950
  H      -4.216564      6.910712      3.059050
  H      -6.314741      7.481186      3.073286
  H      -8.525792      8.182226      2.250776
  H      -9.961758      5.054095     -0.807187
  H      -9.044172      2.829154     -1.576578
  H      -6.875054      2.028809     -0.618790
  H      -6.752954      1.106293      6.595475
  H      -6.534158      2.064318      5.112925
  H      -6.479370      4.127044      6.885414
  H      -7.413176      2.993756      7.874078
  H      -9.003911      4.291049      6.584084
  H      -8.995647      2.618920      5.955526
  H     -10.060984      5.605387      4.074299
  H     -11.753363      5.062094      2.321206
  H     -10.512853      1.074883      0.405976
  H      -8.597843     -0.536314      0.792660
  H      -6.926411     -0.012750      2.567514
98
Coordinates from ORCA-job orca E -6374.073038307371
  N      -2.948859      0.462308      4.640864
  Mo     -3.586430      2.318260      5.086967
  N      -4.917755      2.093919      6.454725
  C      -4.454437      1.888077      7.832038
  C      -3.074575      1.248412      7.768270
  N      -2.248047      1.936191      6.719484
  C      -1.163849      1.047449      6.214249
  C      -1.728816     -0.022262      5.270629
  C      -1.665659      3.221121      7.228055
  C      -1.579727      4.187432      6.045950
  N      -2.862445      4.197084      5.354116
  H      -0.941434     -0.262581      4.529407
  H      -1.921399     -0.968526      5.820677
  H      -0.455808      1.693187      5.676802
  H      -0.621493      0.593735      7.065505
  H      -1.295207      5.193633      6.405715
  H      -0.772952      3.857583      5.366642
  H      -2.342663      3.618363      7.996547
  H      -0.686310      3.020932      7.698110
  H      -5.131231      1.220963      8.399343
  H      -4.418376      2.844603      8.390759
  H      -3.173293      0.201686      7.450134
  H      -2.557531      1.272990      8.744500
  C      -3.876854     -0.593133      4.267078
  C      -3.422815     -1.475350      3.093020
  C      -3.290895     -0.720732      1.789749
  O      -4.642111     -0.381731      1.353390
  C      -4.765026      0.158930      0.110860
  C      -5.604955     -0.461740     -0.801300
  C      -5.770563      0.091297     -2.085974
  N      -5.174741      1.197648     -2.512605
  C      -4.362607      1.838119     -1.620407
  C      -3.732619      3.045302     -2.011115
  C      -2.928196      3.708729     -1.109643
  C      -2.754435      3.162651      0.180974
  N      -3.319178      2.038989      0.595707
  C      -4.118586      1.373236     -0.283388
  C      -3.691512      5.366189      5.605864
  C      -4.817557      5.484046      4.580137
  C      -4.276107      5.792686      3.190026
  O      -5.043775      5.168770      2.142025
  C      -6.262591      5.651835      1.852767
  C      -6.814690      6.831343      2.334904
  C      -8.077904      7.240164      1.858476
  N      -8.806507      6.596244      0.959194
  C      -8.290448      5.416293      0.497636
  C      -9.024359      4.660110     -0.449003
  C      -8.527969      3.447318     -0.873473
  C      -7.300358      2.988274     -0.345163
  N      -6.567750      3.667547      0.523023
  C      -7.040976      4.873554      0.931957
  C      -6.354862      2.078769      6.246624
  C      -7.124834      3.262480      6.864424
  C      -8.397181      3.551530      6.092291
  O      -8.044680      4.036528      4.769783
  C      -8.977298      3.757849      3.806720
  C     -10.005474      4.639861      3.531931
  C     -10.943971      4.317025      2.529963
  N     -10.913473      3.209607      1.800974
  C      -9.881001      2.346444      2.031891
  C      -9.758739      1.183860      1.232504
  C      -8.699597      0.324788      1.446038
  C      -7.759026      0.634110      2.452286
  N      -7.831454      1.708594      3.228174
  C      -8.872201      2.563322      3.028708
  H      -4.055936     -1.250716      5.145514
  H      -4.847315     -0.134448      4.013237
  H      -2.447834     -1.933704      3.327521
  H      -4.138973     -2.303981      2.963697
  H      -2.827177     -1.346098      1.008834
  H      -2.709417      0.202995      1.915524
  H      -6.119170     -1.381511     -0.519146
  H      -6.425393     -0.415017     -2.803140
  H      -3.913233      3.418898     -3.020385
  H      -2.430479      4.642842     -1.374450
  H      -2.115033      3.677997      0.904283
  H      -3.073152      6.288165      5.592940
  H      -4.155193      5.325466      6.615843
  H      -5.543796      6.241115      4.910703
  H      -5.372343      4.529125      4.538435
  H      -3.281321      5.342399      3.085225
  H      -4.192828      6.876470      3.002359
  H      -6.293523      7.453592      3.060532
  H      -8.500966      8.174356      2.244925
  H      -9.981613      5.051784     -0.795674
  H      -9.082027      2.822357     -1.575737
  H      -6.908054      2.011800     -0.640626
  H      -6.782859      1.132533      6.640187
  H      -6.539577      2.079754      5.156132
  H      -6.485891      4.160004      6.886358
  H      -7.412551      3.050104      7.907771
  H      -9.014289      4.317845      6.592539
  H      -9.003611      2.635241      5.990530
  H     -10.072486      5.585384      4.071379
  H     -11.757304      5.018095      2.317721
  H     -10.493519      1.021836      0.441971
  H      -8.562607     -0.569509      0.836167
  H      -6.893647     -0.018994      2.605788
98
Coordinates from ORCA-job orca E -6374.075360816133
  N      -2.975547      0.463553      4.643460
  Mo     -3.606130      2.315532      5.123912
  N      -4.931036      2.106958      6.500817
  C      -4.467952      1.897939      7.878434
  C      -3.092057      1.248858      7.806868
  N      -2.272006      1.927032      6.744700
  C      -1.196662      1.026014      6.239895
  C      -1.773809     -0.038996      5.298674
  C      -1.678348      3.212345      7.242250
  C      -1.568600      4.162971      6.048719
  N      -2.842707      4.189587      5.337350
  H      -0.979801     -0.303605      4.572442
  H      -1.992046     -0.976697      5.855075
  H      -0.481589      1.661613      5.699680
  H      -0.658042      0.567053      7.090965
  H      -1.269831      5.167795      6.401802
  H      -0.759848      3.814204      5.381175
  H      -2.358321      3.626716      7.999158
  H      -0.705861      3.007414      7.724940
  H      -5.146930      1.234960      8.447881
  H      -4.423330      2.853632      8.438003
  H      -3.202959      0.202286      7.491417
  H      -2.563939      1.271540      8.777098
  C      -3.901093     -0.582019      4.240658
  C      -3.431914     -1.450808      3.062197
  C      -3.286489     -0.683076      1.766984
  O      -4.635340     -0.351567      1.312867
  C      -4.754431      0.198034      0.075514
  C      -5.604105     -0.412397     -0.834325
  C      -5.767809      0.141922     -2.119271
  N      -5.163251      1.242034     -2.546619
  C      -4.344140      1.875803     -1.656456
  C      -3.708215      3.079382     -2.048963
  C      -2.897128      3.737191     -1.150691
  C      -2.722682      3.188702      0.139910
  N      -3.292935      2.069200      0.554749
  C      -4.099056      1.407644     -0.321028
  C      -3.647850      5.376998      5.576161
  C      -4.785826      5.489785      4.562637
  C      -4.260163      5.763068      3.158936
  O      -5.046993      5.127265      2.131984
  C      -6.261063      5.622597      1.843294
  C      -6.801137      6.807757      2.325761
  C      -8.062877      7.227306      1.854799
  N      -8.801083      6.586403      0.961193
  C      -8.296932      5.402652      0.497111
  C      -9.042280      4.652930     -0.445938
  C      -8.554728      3.438932     -0.877865
  C      -7.324833      2.973670     -0.360881
  N      -6.582940      3.646023      0.504848
  C      -7.048039      4.851967      0.923575
  C      -6.367708      2.100913      6.289719
  C      -7.131813      3.297241      6.888127
  C      -8.406704      3.569964      6.113466
  O      -8.052591      4.032497      4.782836
  C      -8.980312      3.737004      3.820746
  C     -10.015128      4.608371      3.536305
  C     -10.950901      4.269057      2.537069
  N     -10.911866      3.154322      1.820456
  C      -9.872802      2.301639      2.059089
  C      -9.744823      1.131072      1.272404
  C      -8.677127      0.284110      1.490158
  C      -7.735723      0.612426      2.490156
  N      -7.816325      1.692287      3.257117
  C      -8.864736      2.537095      3.052529
  H      -4.098687     -1.253449      5.104838
  H      -4.865665     -0.116299      3.976131
  H      -2.458978     -1.909697      3.304254
  H      -4.143276     -2.280545      2.913901
  H      -2.811498     -1.301863      0.987626
  H      -2.711918      0.242500      1.905435
  H      -6.124883     -1.328371     -0.551579
  H      -6.428506     -0.358632     -2.835327
  H      -3.890607      3.454132     -3.057594
  H      -2.394235      4.668364     -1.416548
  H      -2.076255      3.697638      0.862000
  H      -3.015525      6.288989      5.533736
  H      -4.100049      5.370060      6.592660
  H      -5.500037      6.260705      4.887400
  H      -5.349681      4.539402      4.548845
  H      -3.271708      5.299406      3.051501
  H      -4.168357      6.841675      2.946763
  H      -6.272403      7.425842      3.049579
  H      -8.476340      8.166006      2.241010
  H      -9.999416      5.051452     -0.785366
  H      -9.115759      2.819598     -1.579676
  H      -6.939009      1.997268     -0.664889
  H      -6.810036      1.161899      6.684879
  H      -6.544901      2.096379      5.198352
  H      -6.492991      4.195375      6.883398
  H      -7.410354      3.109669      7.938821
  H      -9.025235      4.344691      6.598747
  H      -9.011513      2.650982      6.026621
  H     -10.090738      5.557615      4.068136
  H     -11.770241      4.961178      2.318050
  H     -10.483901      0.952683      0.489299
  H      -8.534191     -0.615382      0.889242
  H      -6.863154     -0.031280      2.647194
98
Coordinates from ORCA-job orca E -6374.076629102931
  N      -2.964473      0.450078      4.654867
  Mo     -3.601975      2.299644      5.136714
  N      -4.926456      2.102032      6.516134
  C      -4.465408      1.900474      7.896150
  C      -3.088151      1.253128      7.828687
  N      -2.271411      1.924148      6.758263
  C      -1.194657      1.019821      6.261303
  C      -1.771402     -0.052055      5.328127
  C      -1.680505      3.215867      7.243274
  C      -1.560813      4.151483      6.038484
  N      -2.829368      4.174763      5.314798
  H      -0.972305     -0.331334      4.612898
  H      -2.000519     -0.981691      5.894148
  H      -0.479033      1.650801      5.716353
  H      -0.656618      0.566565      7.115957
  H      -1.261699      5.159440      6.382793
  H      -0.747716      3.793827      5.380922
  H      -2.366448      3.640141      7.989391
  H      -0.711785      3.017384      7.736470
  H      -5.144164      1.239667      8.468379
  H      -4.422295      2.859043      8.451071
  H      -3.198959      0.204074      7.521079
  H      -2.557609      1.283649      8.797371
  C      -3.883471     -0.597707      4.243468
  C      -3.401701     -1.460476      3.065513
  C      -3.262510     -0.688694      1.772051
  O      -4.615587     -0.378861      1.314062
  C      -4.742281      0.184999      0.084872
  C      -5.584880     -0.425406     -0.831571
  C      -5.758517      0.142937     -2.109448
  N      -5.171444      1.257695     -2.522770
  C      -4.361024      1.892289     -1.625147
  C      -3.746321      3.112060     -2.001720
  C      -2.945554      3.771351     -1.095588
  C      -2.759396      3.207656      0.187424
  N      -3.309438      2.072801      0.586677
  C      -4.105497      1.409399     -0.296933
  C      -3.631169      5.366582      5.542492
  C      -4.776233      5.468908      4.535036
  C      -4.261671      5.726807      3.124016
  O      -5.063224      5.091762      2.107633
  C      -6.272762      5.600965      1.823714
  C      -6.800105      6.788262      2.315399
  C      -8.060235      7.222245      1.852899
  N      -8.808315      6.592641      0.959239
  C      -8.316290      5.408005      0.484448
  C      -9.073241      4.671125     -0.459615
  C      -8.597001      3.457225     -0.904524
  C      -7.366016      2.980315     -0.400702
  N      -6.614154      3.639853      0.466479
  C      -7.069095      4.844578      0.900137
  C      -6.363008      2.099090      6.301772
  C      -7.124748      3.302412      6.889053
  C      -8.400297      3.571112      6.113386
  O      -8.045412      4.030454      4.781528
  C      -8.973667      3.739617      3.818669
  C     -10.007367      4.614059      3.538835
  C     -10.943162      4.282541      2.536868
  N     -10.904525      3.172582      1.812780
  C      -9.866235      2.317372      2.045966
  C      -9.738792      1.152886      1.250095
  C      -8.671299      0.304022      1.461109
  C      -7.729983      0.624208      2.464141
  N      -7.810432      1.697667      3.240128
  C      -8.858449      2.544952      3.042034
  H      -4.084973     -1.273570      5.103383
  H      -4.848091     -0.135438      3.972728
  H      -2.424169     -1.908584      3.309827
  H      -4.102960     -2.298209      2.913366
  H      -2.776408     -1.299589      0.993207
  H      -2.702732      0.245321      1.913412
  H      -6.091808     -1.352628     -0.559909
  H      -6.412710     -0.358174     -2.831371
  H      -3.937253      3.497643     -3.004866
  H      -2.459604      4.715154     -1.348918
  H      -2.121122      3.717511      0.916586
  H      -2.997532      6.276920      5.483159
  H      -4.076936      5.376159      6.561984
  H      -5.487531      6.243946      4.856521
  H      -5.340686      4.518567      4.536393
  H      -3.277829      5.254563      3.010605
  H      -4.163987      6.803287      2.903204
  H      -6.263187      7.396640      3.041673
  H      -8.463741      8.162368      2.246592
  H     -10.029872      5.079272     -0.789434
  H      -9.167146      2.847181     -1.607420
  H      -6.988672      2.004286     -0.716754
  H      -6.811940      1.164431      6.699933
  H      -6.535807      2.089108      5.209636
  H      -6.484830      4.199869      6.872285
  H      -7.399979      3.126685      7.942791
  H      -9.018887      4.347819      6.595557
  H      -9.005125      2.651787      6.029042
  H     -10.081990      5.560190      4.076695
  H     -11.761516      4.977250      2.321455
  H     -10.478484      0.980724      0.465940
  H      -8.528280     -0.590708      0.852827
  H      -6.857229     -0.020933      2.615812
98
Coordinates from ORCA-job orca E -6374.077703559080
  N      -2.969061      0.439702      4.662726
  Mo     -3.611347      2.286612      5.147714
  N      -4.928296      2.093046      6.535468
  C      -4.461844      1.896810      7.914286
  C      -3.083267      1.252614      7.842942
  N      -2.274677      1.920391      6.764321
  C      -1.198537      1.015717      6.266638
  C      -1.778320     -0.061160      5.341677
  C      -1.685258      3.216406      7.239679
  C      -1.566560      4.143634      6.028491
  N      -2.834887      4.162771      5.303460
  H      -0.979216     -0.348682      4.629799
  H      -2.011117     -0.985596      5.914714
  H      -0.486646      1.644884      5.714916
  H      -0.655891      0.566717      7.120439
  H      -1.267350      5.153711      6.366234
  H      -0.753518      3.782052      5.373142
  H      -2.372077      3.645328      7.982283
  H      -0.716369      3.023264      7.734564
  H      -5.136925      1.236225      8.490860
  H      -4.418819      2.857007      8.466152
  H      -3.193668      0.201898      7.541018
  H      -2.546948      1.289199      8.808038
  C      -3.882473     -0.608939      4.242451
  C      -3.390158     -1.464446      3.063405
  C      -3.250577     -0.686870      1.773051
  O      -4.603761     -0.390114      1.306119
  C      -4.729692      0.181235      0.080364
  C      -5.560325     -0.433097     -0.844483
  C      -5.731682      0.139541     -2.120595
  N      -5.154151      1.262460     -2.524430
  C      -4.357224      1.901753     -1.618333
  C      -3.755200      3.130945     -1.984502
  C      -2.969456      3.795836     -1.069498
  C      -2.785455      3.228075      0.211958
  N      -3.323495      2.084198      0.601182
  C      -4.104671      1.414934     -0.291171
  C      -3.633708      5.358114      5.521722
  C      -4.781626      5.452890      4.516568
  C      -4.269626      5.696883      3.101750
  O      -5.078596      5.063482      2.090003
  C      -6.280151      5.587580      1.798767
  C      -6.794355      6.782129      2.286548
  C      -8.046328      7.232188      1.817771
  N      -8.798733      6.610971      0.922169
  C      -8.319302      5.420733      0.449063
  C      -9.079212      4.695978     -0.501965
  C      -8.612368      3.480083     -0.951462
  C      -7.389745      2.987674     -0.442626
  N      -6.635730      3.635392      0.431376
  C      -7.080333      4.842519      0.869019
  C      -6.365569      2.093079      6.327613
  C      -7.120775      3.301425      6.912086
  C      -8.397720      3.569452      6.138740
  O      -8.041802      4.028504      4.807068
  C      -8.969140      3.740637      3.842468
  C     -10.007777      4.611786      3.570493
  C     -10.942533      4.283592      2.566651
  N     -10.900434      3.178128      1.836069
  C      -9.859208      2.325162      2.063415
  C      -9.733474      1.161408      1.266294
  C      -8.663459      0.314474      1.471957
  C      -7.719312      0.634913      2.472129
  N      -7.799846      1.705839      3.251426
  C      -8.849982      2.551620      3.058223
  H      -4.087289     -1.289810      5.097599
  H      -4.846688     -0.148380      3.967316
  H      -2.410547     -1.906040      3.310596
  H      -4.084606     -2.306551      2.904905
  H      -2.753667     -1.290723      0.995630
  H      -2.701195      0.252163      1.920318
  H      -6.058305     -1.367392     -0.581032
  H      -6.375186     -0.365162     -2.849435
  H      -3.944207      3.519115     -2.986888
  H      -2.493977      4.747015     -1.314483
  H      -2.159377      3.742108      0.948592
  H      -2.998497      6.266447      5.449802
  H      -4.076043      5.380352      6.542559
  H      -5.490449      6.232140      4.832875
  H      -5.347172      4.503599      4.528484
  H      -3.290230      5.215345      2.989090
  H      -4.163272      6.770963      2.873620
  H      -6.253327      7.383985      3.015006
  H      -8.439743      8.177464      2.208940
  H     -10.028538      5.116847     -0.836624
  H      -9.181986      2.882098     -1.664762
  H      -7.019706      2.010370     -0.763248
  H      -6.816846      1.161632      6.730392
  H      -6.542388      2.079715      5.237058
  H      -6.478787      4.197104      6.885820
  H      -7.390777      3.133103      7.968229
  H      -9.015498      4.346712      6.620902
  H      -9.002730      2.650284      6.054977
  H     -10.088256      5.551830      4.117789
  H     -11.764877      4.975363      2.357461
  H     -10.479049      0.985894      0.488636
  H      -8.522073     -0.580187      0.863380
  H      -6.846235     -0.010014      2.621555
98
Coordinates from ORCA-job orca E -6374.078978950001
  N      -2.978151      0.425163      4.667875
  Mo     -3.622228      2.269923      5.155944
  N      -4.931881      2.089962      6.553320
  C      -4.460547      1.902469      7.931802
  C      -3.082386      1.257438      7.858774
  N      -2.280799      1.914863      6.768235
  C      -1.208502      1.003894      6.273150
  C      -1.796048     -0.079252      5.360659
  C      -1.689811      3.216196      7.227004
  C      -1.566745      4.128054      6.004179
  N      -2.833420      4.144281      5.274171
  H      -0.996436     -0.385285      4.657137
  H      -2.041485     -0.993335      5.945139
  H      -0.497873      1.626059      5.712004
  H      -0.662875      0.560206      7.127735
  H      -1.264680      5.140894      6.330960
  H      -0.753435      3.756730      5.354668
  H      -2.378066      3.656180      7.961831
  H      -0.722441      3.028709      7.727102
  H      -5.133863      1.245936      8.514838
  H      -4.414966      2.866097      8.477436
  H      -3.195723      0.204099      7.567192
  H      -2.539314      1.302670      8.819557
  C      -3.887812     -0.621036      4.234024
  C      -3.382339     -1.471348      3.056644
  C      -3.235041     -0.687271      1.771254
  O      -4.585761     -0.398883      1.292009
  C      -4.704555      0.185607      0.072389
  C      -5.530624     -0.418084     -0.863537
  C      -5.693265      0.167560     -2.135016
  N      -5.111780      1.293721     -2.523849
  C      -4.320419      1.923217     -1.606055
  C      -3.715650      3.155969     -1.955453
  C      -2.936322      3.811499     -1.028377
  C      -2.760662      3.230275      0.248484
  N      -3.300817      2.082231      0.621670
  C      -4.076481      1.422497     -0.282557
  C      -3.626483      5.345553      5.481162
  C      -4.784702      5.429255      4.486329
  C      -4.287496      5.656263      3.063314
  O      -5.113578      5.023472      2.064868
  C      -6.310646      5.560489      1.778007
  C      -6.812645      6.757620      2.272350
  C      -8.063597      7.219349      1.812199
  N      -8.825866      6.606986      0.918787
  C      -8.357350      5.416023      0.436885
  C      -9.127576      4.702071     -0.514030
  C      -8.670242      3.486972     -0.975276
  C      -7.446445      2.984904     -0.478692
  N      -6.683792      3.621619      0.395870
  C      -7.119681      4.827243      0.846468
  C      -6.370105      2.098922      6.351599
  C      -7.113920      3.317416      6.929634
  C      -8.393049      3.587025      6.160414
  O      -8.037814      4.041373      4.827012
  C      -8.964437      3.751179      3.862495
  C     -10.008058      4.617628      3.593704
  C     -10.941139      4.287960      2.588890
  N     -10.892910      3.185115      1.854523
  C      -9.847315      2.336751      2.079094
  C      -9.716493      1.175622      1.278920
  C      -8.642245      0.333338      1.481862
  C      -7.699295      0.655689      2.482575
  N      -7.784704      1.723823      3.265349
  C      -8.838966      2.565332      3.074613
  H      -4.103584     -1.305951      5.083184
  H      -4.848285     -0.158470      3.949117
  H      -2.403146     -1.909927      3.310662
  H      -4.071925     -2.315550      2.888425
  H      -2.726211     -1.284157      0.996113
  H      -2.694182      0.255122      1.928045
  H      -6.030877     -1.354684     -0.612656
  H      -6.332326     -0.329218     -2.873227
  H      -3.898278      3.554509     -2.954995
  H      -2.459808      4.765537     -1.260080
  H      -2.140794      3.736939      0.995533
  H      -2.989270      6.250688      5.388050
  H      -4.058421      5.386382      6.505884
  H      -5.489008      6.213358      4.800445
  H      -5.351166      4.480868      4.515835
  H      -3.313732      5.164975      2.943102
  H      -4.174655      6.727618      2.825505
  H      -6.263717      7.351846      3.001164
  H      -8.447862      8.165981      2.209135
  H     -10.076550      5.130832     -0.839652
  H      -9.247614      2.897302     -1.689351
  H      -7.083053      2.008711     -0.810493
  H      -6.828074      1.173985      6.761667
  H      -6.550429      2.080054      5.261529
  H      -6.466733      4.208872      6.888463
  H      -7.376872      3.161784      7.989436
  H      -9.006788      4.367771      6.642122
  H      -9.001056      2.669492      6.080240
  H     -10.093891      5.555046      4.144831
  H     -11.767016      4.976095      2.381456
  H     -10.462199      0.998077      0.501819
  H      -8.496818     -0.559097      0.870885
  H      -6.823193      0.014396      2.630014
98
Coordinates from ORCA-job orca E -6374.079952179289
  N      -2.983128      0.409318      4.676480
  Mo     -3.629820      2.252732      5.163248
  N      -4.932642      2.084350      6.569244
  C      -4.456215      1.906356      7.947162
  C      -3.077933      1.261555      7.872809
  N      -2.282866      1.909684      6.771833
  C      -1.213201      0.994298      6.278992
  C      -1.806368     -0.095444      5.378633
  C      -1.691201      3.215910      7.215413
  C      -1.567186      4.114540      5.982783
  N      -2.833654      4.125943      5.251235
  H      -1.007133     -0.415731      4.681091
  H      -2.059914     -1.000636      5.973505
  H      -0.505112      1.611045      5.708839
  H      -0.663766      0.556567      7.134097
  H      -1.263725      5.130125      6.299490
  H      -0.754277      3.735855      5.337124
  H      -2.379960      3.664602      7.944479
  H      -0.724209      3.034186      7.718357
  H      -5.127223      1.253408      8.536701
  H      -4.409118      2.873491      8.486347
  H      -3.192729      0.205702      7.591129
  H      -2.529169      1.315523      8.829752
  C      -3.888567     -0.636695      4.233947
  C      -3.373364     -1.482126      3.057078
  C      -3.223361     -0.693113      1.774944
  O      -4.573297     -0.414705      1.287374
  C      -4.690645      0.181979      0.073719
  C      -5.504630     -0.420588     -0.873481
  C      -5.664575      0.175587     -2.140330
  N      -5.092564      1.311545     -2.514095
  C      -4.315109      1.940777     -1.584481
  C      -3.722728      3.184092     -1.917153
  C      -2.958894      3.840125     -0.977756
  C      -2.786328      3.248791      0.294883
  N      -3.314636      2.090347      0.652249
  C      -4.074527      1.429556     -0.264483
  C      -3.623530      5.331020      5.448215
  C      -4.789119      5.403772      4.460955
  C      -4.301899      5.619414      3.032688
  O      -5.139684      4.989156      2.042357
  C      -6.333427      5.535495      1.758773
  C      -6.829847      6.730457      2.263919
  C      -8.079638      7.201151      1.809972
  N      -8.845620      6.599677      0.912420
  C      -8.381234      5.412755      0.417081
  C      -9.153875      4.712747     -0.542206
  C      -8.698446      3.503808     -1.021143
  C      -7.474650      2.993460     -0.533170
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  C      -7.144707      4.815900      0.818514
  C      -6.371612      2.100997      6.373902
  C      -7.104320      3.329465      6.944660
  C      -8.382993      3.603068      6.175957
  O      -8.024355      4.052305      4.841684
  C      -8.949145      3.763282      3.874944
  C      -9.995275      4.627755      3.608957
  C     -10.926532      4.299702      2.602121
  N     -10.874742      3.199753      1.863676
  C      -9.827352      2.353143      2.085977
  C      -9.694970      1.193774      1.283530
  C      -8.619189      0.352969      1.484407
  C      -7.676536      0.675010      2.485338
  N      -7.763814      1.740876      3.271055
  C      -8.819743      2.580916      3.082571
  H      -4.109802     -1.324806      5.079039
  H      -4.847378     -0.174313      3.943126
  H      -2.393406     -1.916410      3.315117
  H      -4.057888     -2.329101      2.882636
  H      -2.704893     -1.283703      1.001379
  H      -2.691122      0.252966      1.938025
  H      -5.996159     -1.365078     -0.635391
  H      -6.292813     -0.320831     -2.887952
  H      -3.902840      3.590169     -2.914068
  H      -2.492761      4.802313     -1.196309
  H      -2.179566      3.755865      1.052316
  H      -2.986002      6.234064      5.338069
  H      -4.047645      5.386451      6.475458
  H      -5.491764      6.190076      4.772905
  H      -5.354331      4.455297      4.503263
  H      -3.332616      5.120590      2.907347
  H      -4.183494      6.688855      2.789134
  H      -6.278291      7.315365      2.998145
  H      -8.460097      8.145217      2.216362
  H     -10.102110      5.147855     -0.861389
  H      -9.276545      2.925692     -1.743944
  H      -7.112113      2.022409     -0.880591
  H      -6.835123      1.182624      6.792384
  H      -6.555911      2.075542      5.284863
  H      -6.450891      4.215755      6.892153
  H      -7.363753      3.185269      8.006844
  H      -8.992493      4.388230      6.655781
  H      -8.995585      2.688448      6.097858
  H     -10.085102      5.561856      4.164998
  H     -11.754136      4.986227      2.396509
  H     -10.441576      1.015630      0.507499
  H      -8.472593     -0.538156      0.871874
  H      -6.799750      0.034527      2.631697
98
Coordinates from ORCA-job orca E -6374.080962543831
  N      -2.989465      0.395663      4.685373
  Mo     -3.641196      2.235481      5.174664
  N      -4.935858      2.076211      6.590436
  C      -4.453083      1.906986      7.967236
  C      -3.073982      1.264047      7.890004
  N      -2.287150      1.904099      6.778307
  C      -1.219876      0.985591      6.285838
  C      -1.819054     -0.110378      5.397835
  C      -1.696009      3.215434      7.206954
  C      -1.571602      4.101100      5.964881
  N      -2.837863      4.106975      5.231594
  H      -1.020165     -0.446145      4.707199
  H      -2.082274     -1.005866      6.003312
  H      -0.515687      1.597739      5.706040
  H      -0.665190      0.553468      7.140366
  H      -1.267486      5.119511      6.271761
  H      -0.758773      3.715777      5.323127
  H      -2.385963      3.672118      7.929957
  H      -0.729314      3.040387      7.712934
  H      -5.120566      1.256032      8.562898
  H      -4.405553      2.877079      8.501100
  H      -3.189338      0.205736      7.617917
  H      -2.518697      1.326911      8.842530
  C      -3.889558     -0.650047      4.231677
  C      -3.363558     -1.488227      3.054011
  C      -3.212108     -0.692542      1.776084
  O      -4.561627     -0.423783      1.282023
  C      -4.679726      0.183702      0.074057
  C      -5.490613     -0.413458     -0.879241
  C      -5.651212      0.193033     -2.141099
  N      -5.082888      1.334289     -2.504371
  C      -4.309620      1.958704     -1.568106
  C      -3.721746      3.207215     -1.889190
  C      -2.962800      3.858787     -0.942852
  C      -2.791004      3.257976      0.325523
  N      -3.314715      2.094127      0.671866
  C      -4.069001      1.437100     -0.252195
  C      -3.624593      5.316192      5.417040
  C      -4.798211      5.377271      4.438176
  C      -4.320797      5.578710      3.004565
  O      -5.171002      4.951053      2.023223
  C      -6.355111      5.515290      1.734286
  C      -6.834583      6.718685      2.235974
  C      -8.076989      7.206573      1.780086
  N      -8.851101      6.613993      0.883559
  C      -8.402257      5.420781      0.389097
  C      -9.183473      4.731297     -0.570925
  C      -8.742138      3.518089     -1.052324
  C      -7.524024      2.992758     -0.565779
  N      -6.753439      3.604379      0.319599
  C      -7.173747      4.807608      0.791232
  C      -6.375868      2.099256      6.402879
  C      -7.099086      3.336616      6.966747
  C      -8.378164      3.611750      6.198919
  O      -8.017035      4.058116      4.864328
  C      -8.937982      3.767753      3.894233
  C      -9.992830      4.623563      3.634060
  C     -10.919217      4.294569      2.623128
  N     -10.855009      3.201254      1.875640
  C      -9.799586      2.363324      2.092722
  C      -9.656072      1.210478      1.282726
  C      -8.572890      0.378164      1.479104
  C      -7.634013      0.702342      2.482759
  N      -7.731404      1.762069      3.275789
  C      -8.795216      2.593420      3.092345
  H      -4.116442     -1.343019      5.071229
  H      -4.846759     -0.187870      3.935188
  H      -2.382402     -1.917765      3.315281
  H      -4.042202     -2.338355      2.872307
  H      -2.684524     -1.275626      1.002930
  H      -2.688730      0.257148      1.946303
  H      -5.978515     -1.362085     -0.650070
  H      -6.276294     -0.299439     -2.894028
  H      -3.901593      3.620705     -2.883138
  H      -2.500430      4.824824     -1.152431
  H      -2.188630      3.761305      1.089004
  H      -2.986636      6.216440      5.287532
  H      -4.039923      5.388159      6.446780
  H      -5.498568      6.166709      4.746997
  H      -5.362841      4.429207      4.494742
  H      -3.357075      5.070168      2.875566
  H      -4.194545      6.645561      2.753403
  H      -6.275668      7.296807      2.969993
  H      -8.444494      8.156624      2.184474
  H     -10.126160      5.178667     -0.889718
  H      -9.326315      2.948871     -1.777382
  H      -7.171797      2.019145     -0.917054
  H      -6.843408      1.186923      6.830144
  H      -6.564918      2.067224      5.314855
  H      -6.440980      4.218684      6.901924
  H      -7.353827      3.203896      8.031503
  H      -8.985711      4.399087      6.677648
  H      -8.992791      2.698416      6.121790
  H     -10.093800      5.551306      4.198843
  H     -11.753362      4.974332      2.421428
  H     -10.401352      1.029723      0.506005
  H      -8.417977     -0.507922      0.861257
  H      -6.752463      0.068050      2.626528
98
Coordinates from ORCA-job orca E -6374.082047181952
  N      -2.998913      0.384585      4.695363
  Mo     -3.654077      2.220713      5.189194
  N      -4.940131      2.072515      6.615473
  C      -4.450479      1.913944      7.990937
  C      -3.071193      1.271317      7.910859
  N      -2.292622      1.900253      6.786939
  C      -1.229907      0.976185      6.294501
  C      -1.837931     -0.125510      5.420820
  C      -1.699596      3.216222      7.198263
  C      -1.574237      4.087478      5.946079
  N      -2.840847      4.089017      5.212082
  H      -1.039875     -0.481295      4.739278
  H      -2.115071     -1.008608      6.038429
  H      -0.529377      1.581785      5.703555
  H      -0.669767      0.549527      7.148121
  H      -1.268084      5.108402      6.242389
  H      -0.762336      3.694232      5.308027
  H      -2.389815      3.682792      7.914740
  H      -0.733269      3.047023      7.707068
  H      -5.114720      1.266280      8.593703
  H      -4.401656      2.887594      8.518201
  H      -3.188347      0.210270      7.650445
  H      -2.508470      1.344208      8.858161
  C      -3.894233     -0.658703      4.227203
  C      -3.356375     -1.490787      3.050151
  C      -3.199455     -0.689480      1.776206
  O      -4.546755     -0.426784      1.272567
  C      -4.662178      0.185562      0.066965
  C      -5.477332     -0.404609     -0.887114
  C      -5.635920      0.205983     -2.147164
  N      -5.061436      1.344833     -2.508319
  C      -4.284281      1.962818     -1.571121
  C      -3.689476      3.208616     -1.889983
  C      -2.926947      3.854423     -0.942665
  C      -2.759110      3.250783      0.324882
  N      -3.288954      2.089056      0.669015
  C      -4.045854      1.437010     -0.256492
  C      -3.624048      5.302009      5.389053
  C      -4.808168      5.350285      4.422042
  C      -4.345062      5.548312      2.983366
  O      -5.206543      4.925413      2.008756
  C      -6.388123      5.497522      1.725394
  C      -6.866038      6.693929      2.245036
  C      -8.109996      7.187987      1.800326
  N      -8.887473      6.607492      0.898761
  C      -8.438147      5.423583      0.382940
  C      -9.220584      4.749960     -0.587424
  C      -8.775190      3.549483     -1.096388
  C      -7.552623      3.019869     -0.625769
  N      -6.782387      3.615536      0.270653
  C      -7.206624      4.806301      0.769810
  C      -6.381070      2.103734      6.435957
  C      -7.091107      3.355293      6.985011
  C      -8.369875      3.632048      6.216554
  O      -8.005458      4.065641      4.878425
  C      -8.925024      3.773380      3.907375
  C      -9.986866      4.622539      3.652942
  C     -10.912199      4.292021      2.641696
  N     -10.841917      3.201992      1.889866
  C      -9.780709      2.370214      2.102036
  C      -9.634853      1.218132      1.291288
  C      -8.546420      0.391620      1.482783
  C      -7.605149      0.720522      2.482513
  N      -7.705378      1.778451      3.277790
  C      -8.774813      2.603937      3.099701
  H      -4.131126     -1.356232      5.060143
  H      -4.847753     -0.194232      3.922444
  H      -2.375332     -1.917186      3.316770
  H      -4.030092     -2.343070      2.860419
  H      -2.662824     -1.266828      1.004936
  H      -2.682922      0.262467      1.953768
  H      -5.969771     -1.351456     -0.660063
  H      -6.264135     -0.281351     -2.900904
  H      -3.867176      3.624755     -2.883244
  H      -2.459195      4.818260     -1.150609
  H      -2.154344      3.749308      1.089681
  H      -2.987214      6.200059      5.239452
  H      -4.027780      5.389281      6.422168
  H      -5.509953      6.137363      4.733358
  H      -5.366682      4.399570      4.489533
  H      -3.384719      5.035893      2.845184
  H      -4.217087      6.614809      2.731302
  H      -6.305958      7.260672      2.986987
  H      -8.477149      8.131372      2.220355
  H     -10.165703      5.200623     -0.894391
  H      -9.357831      2.994557     -1.833674
  H      -7.195532      2.057071     -1.001533
  H      -6.854522      1.201342      6.877697
  H      -6.575339      2.058868      5.349673
  H      -6.425614      4.230352      6.901966
  H      -7.341012      3.241543      8.053036
  H      -8.971871      4.427028      6.689592
  H      -8.990483      2.722210      6.146498
  H     -10.095400      5.545337      4.224445
  H     -11.751654      4.966531      2.444235
  H     -10.384107      1.032102      0.519598
  H      -8.389720     -0.493874      0.864493
  H      -6.720420      0.090093      2.622909
98
Coordinates from ORCA-job orca E -6374.083156146420
  N      -3.009761      0.369320      4.705805
  Mo     -3.664936      2.203693      5.199230
  N      -4.945233      2.072623      6.634198
  C      -4.450924      1.926760      8.009163
  C      -3.073089      1.280443      7.930577
  N      -2.298818      1.892968      6.794903
  C      -1.243060      0.959056      6.305988
  C      -1.862347     -0.147754      5.448051
  C      -1.700603      3.212158      7.187149
  C      -1.569671      4.065722      5.923315
  N      -2.835728      4.064790      5.187247
  H      -1.065493     -0.528525      4.778742
  H      -2.158908     -1.015118      6.078972
  H      -0.543796      1.554626      5.703529
  H      -0.679944      0.537643      7.160143
  H      -1.258799      5.088759      6.206974
  H      -0.759186      3.660488      5.291071
  H      -2.390899      3.692305      7.894602
  H      -0.736012      3.047048      7.700672
  H      -5.114614      1.285522      8.619322
  H      -4.399312      2.905058      8.527544
  H      -3.194265      0.216393      7.684803
  H      -2.504817      1.364483      8.873497
  C      -3.900484     -0.669429      4.219264
  C      -3.347885     -1.493178      3.042807
  C      -3.181748     -0.682506      1.776059
  O      -4.525623     -0.423752      1.261837
  C      -4.637203      0.200678      0.062235
  C      -5.451093     -0.379958     -0.898841
  C      -5.608260      0.243343     -2.152667
  N      -5.033609      1.386064     -2.501619
  C      -4.258114      1.994850     -1.557115
  C      -3.663231      3.244001     -1.862613
  C      -2.903203      3.881415     -0.907448
  C      -2.738560      3.266261      0.354888
  N      -3.268468      2.100712      0.686571
  C      -4.021374      1.455913     -0.247419
  C      -3.611204      5.285315      5.347897
  C      -4.804361      5.321617      4.391321
  C      -4.353296      5.505048      2.947154
  O      -5.231055      4.887168      1.984377
  C      -6.404851      5.475752      1.703397
  C      -6.866716      6.676771      2.226987
  C      -8.108998      7.183582      1.792236
  N      -8.899668      6.610945      0.897056
  C      -8.464474      5.424670      0.374646
  C      -9.260680      4.760058     -0.590780
  C      -8.827630      3.559238     -1.109507
  C      -7.603607      3.020023     -0.653440
  N      -6.822276      3.605449      0.240101
  C      -7.234680      4.796120      0.749311
  C      -6.386973      2.113308      6.461497
  C      -7.082665      3.381097      6.992418
  C      -8.363700      3.656361      6.226531
  O      -8.001111      4.068817      4.881375
  C      -8.924258      3.769657      3.915839
  C      -9.996476      4.608545      3.669873
  C     -10.924870      4.270767      2.664029
  N     -10.848603      3.182420      1.910068
  C      -9.778219      2.360548      2.114565
  C      -9.628555      1.209183      1.303437
  C      -8.531545      0.392406      1.487311
  C      -7.585862      0.730094      2.479736
  N      -7.689218      1.787238      3.275997
  C      -8.767438      2.603068      3.105605
  H      -4.150268     -1.372644      5.043514
  H      -4.848722     -0.200809      3.904457
  H      -2.367982     -1.917625      3.316437
  H      -4.016812     -2.346432      2.840925
  H      -2.634718     -1.251668      1.005997
  H      -2.672053      0.270699      1.965432
  H      -5.943530     -1.329248     -0.682037
  H      -6.235391     -0.236453     -2.912206
  H      -3.839061      3.669504     -2.852265
  H      -2.435526      4.847466     -1.105248
  H      -2.136831      3.758051      1.126601
  H      -2.971628      6.177112      5.174187
  H      -4.003870      5.394814      6.383062
  H      -5.503617      6.111995      4.699707
  H      -5.362348      4.371788      4.474274
  H      -3.400164      4.981058      2.802540
  H      -4.216356      6.568777      2.688008
  H      -6.296311      7.236420      2.966460
  H      -8.464110      8.129794      2.216273
  H     -10.205386      5.218691     -0.887182
  H      -9.419978      3.012213     -1.845064
  H      -7.254669      2.058097     -1.039164
  H      -6.866675      1.223006      6.920772
  H      -6.586437      2.052672      5.376666
  H      -6.410109      4.248223      6.885858
  H      -7.324657      3.290676      8.064371
  H      -8.957932      4.461663      6.691816
  H      -8.991002      2.750154      6.170848
  H     -10.111523      5.528339      4.245036
  H     -11.771918      4.937414      2.472241
  H     -10.382624      1.015390      0.538366
  H      -8.371921     -0.492317      0.868643
  H      -6.695101      0.107127      2.613679
98
Coordinates from ORCA-job orca E -6374.084179180783
  N      -3.016344      0.354030      4.716929
  Mo     -3.676820      2.185014      5.209547
  N      -4.950485      2.067462      6.653495
  C      -4.450109      1.935034      8.027356
  C      -3.071941      1.289230      7.949199
  N      -2.304282      1.888162      6.802027
  C      -1.252688      0.948041      6.315846
  C      -1.880028     -0.165629      5.474344
  C      -1.704863      3.212071      7.175224
  C      -1.572349      4.048598      5.900231
  N      -2.838449      4.041138      5.163475
  H      -1.084195     -0.568343      4.816782
  H      -2.192116     -1.017852      6.118416
  H      -0.557553      1.536032      5.701406
  H      -0.684335      0.533975      7.169995
  H      -1.259855      5.074529      6.171171
  H      -0.762566      3.634215      5.273193
  H      -2.396030      3.702959      7.874454
  H      -0.741006      3.053842      7.692353
  H      -5.110981      1.298339      8.645296
  H      -4.397962      2.917853      8.537052
  H      -3.193643      0.222074      7.717756
  H      -2.498064      1.385771      8.887383
  C      -3.900049     -0.683432      4.215238
  C      -3.332473     -1.499592      3.040390
  C      -3.158757     -0.680517      1.780007
  O      -4.499920     -0.423017      1.258460
  C      -4.610634      0.210990      0.063952
  C      -5.433215     -0.357168     -0.897254
  C      -5.594090      0.277216     -2.144799
  N      -5.014925      1.419431     -2.488070
  C      -4.230170      2.015714     -1.543401
  C      -3.628882      3.263202     -1.842923
  C      -2.858935      3.888580     -0.887641
  C      -2.691583      3.263357      0.369184
  N      -3.227770      2.098953      0.695506
  C      -3.988985      1.465033     -0.239334
  C      -3.610404      5.265997      5.309486
  C      -4.812548      5.288496      4.363568
  C      -4.374045      5.463658      2.914563
  O      -5.265866      4.852332      1.960564
  C      -6.433593      5.454606      1.683955
  C      -6.882842      6.656713      2.215977
  C      -8.123555      7.175618      1.791421
  N      -8.924611      6.613693      0.898778
  C      -8.500149      5.428637      0.365010
  C      -9.306132      4.777170     -0.601214
  C      -8.881664      3.580313     -1.135766
  C      -7.656472      3.031380     -0.694448
  N      -6.867448      3.603035      0.201206
  C      -7.271654      4.789539      0.726505
  C      -6.392959      2.117254      6.488755
  C      -7.073684      3.399225      7.004952
  C      -8.356377      3.675891      6.242164
  O      -7.993956      4.070444      4.891689
  C      -8.919826      3.769527      3.929419
  C     -10.001084      4.600047      3.694260
  C     -10.930253      4.261415      2.689603
  N     -10.847303      3.179176      1.927485
  C      -9.769336      2.365092      2.122585
  C      -9.615082      1.218724      1.305260
  C      -8.511262      0.409415      1.480162
  C      -7.564020      0.748870      2.470345
  N      -7.671327      1.800885      3.272953
  C      -8.756158      2.609730      3.111034
  H      -4.159956     -1.391053      5.032430
  H      -4.844395     -0.213565      3.890864
  H      -2.353329     -1.921194      3.320765
  H      -3.995907     -2.354561      2.828070
  H      -2.603912     -1.242377      1.010222
  H      -2.654126      0.273125      1.979656
  H      -5.930350     -1.305024     -0.685091
  H      -6.228682     -0.192595     -2.904354
  H      -3.807490      3.697075     -2.828404
  H      -2.385570      4.852670     -1.081316
  H      -2.082302      3.745288      1.141256
  H      -2.971140      6.153369      5.113238
  H      -3.992030      5.394948      6.346459
  H      -5.512233      6.078499      4.671595
  H      -5.366542      4.337546      4.458783
  H      -3.426841      4.931331      2.762243
  H      -4.230661      6.525743      2.652156
  H      -6.304441      7.207296      2.955933
  H      -8.469060      8.121840      2.223156
  H     -10.250261      5.243651     -0.887047
  H      -9.480447      3.044743     -1.874482
  H      -7.312662      2.073662     -1.095153
  H      -6.877856      1.238105      6.963784
  H      -6.598672      2.043409      5.406144
  H      -6.393847      4.257965      6.878297
  H      -7.308052      3.328691      8.079962
  H      -8.942325      4.490547      6.701543
  H      -8.990937      2.774134      6.198049
  H     -10.123009      5.513701      4.277689
  H     -11.783865      4.921795      2.505546
  H     -10.372184      1.021954      0.544002
  H      -8.348299     -0.471549      0.857075
  H      -6.669243      0.130737      2.597888
98
Coordinates from ORCA-job orca E -6374.085129793804
  N      -3.023650      0.336414      4.729276
  Mo     -3.686450      2.166193      5.216760
  N      -4.955517      2.066019      6.668048
  C      -4.450396      1.949186      8.041239
  C      -3.073162      1.300807      7.966504
  N      -2.309083      1.882463      6.808455
  C      -1.263188      0.933271      6.327318
  C      -1.899614     -0.186479      5.502425
  C      -1.705742      3.209798      7.161687
  C      -1.569781      4.027796      5.875156
  N      -2.835894      4.015176      5.138073
  H      -1.105418     -0.612118      4.857444
  H      -2.228503     -1.022481      6.159377
  H      -0.570423      1.511638      5.701236
  H      -0.691424      0.526291      7.182459
  H      -1.253799      5.056138      6.132326
  H      -0.761422      3.602121      5.253944
  H      -2.396783      3.713371      7.852048
  H      -0.742990      3.056764      7.682537
  H      -5.110306      1.319803      8.667686
  H      -4.396233      2.937541      8.540022
  H      -3.197035      0.230523      7.751424
  H      -2.495040      1.410447      8.900542
  C      -3.900592     -0.699102      4.211563
  C      -3.317631     -1.507417      3.038633
  C      -3.135673     -0.679020      1.785625
  O      -4.473807     -0.421709      1.256865
  C      -4.582941      0.224845      0.069187
  C      -5.411126     -0.330102     -0.895065
  C      -5.575327      0.318696     -2.134473
  N      -4.994314      1.463134     -2.467543
  C      -4.203617      2.046181     -1.519637
  C      -3.599679      3.295010     -1.807910
  C      -2.823946      3.907978     -0.848982
  C      -2.653773      3.269030      0.400304
  N      -3.192548      2.102619      0.716370
  C      -3.958345      1.480210     -0.222718
  C      -3.601926      5.246083      5.265729
  C      -4.811052      5.256670      4.328552
  C      -4.383219      5.421211      2.875266
  O      -5.290770      4.818692      1.930594
  C      -6.452709      5.435156      1.661928
  C      -6.887105      6.638494      2.203506
  C      -8.128105      7.168872      1.794429
  N      -8.943170      6.617118      0.908131
  C      -8.531582      5.433144      0.361967
  C      -9.351629      4.793724     -0.600461
  C      -8.938627      3.600076     -1.150733
  C      -7.710863      3.041741     -0.728634
  N      -6.910024      3.600585      0.164677
  C      -7.303100      4.783819      0.705629
  C      -6.398480      2.126289      6.509754
  C      -7.062916      3.424823      7.005830
  C      -8.347826      3.701527      6.246330
  O      -7.988219      4.069389      4.887720
  C      -8.920310      3.763204      3.933334
  C     -10.013020      4.582667      3.711771
  C     -10.947457      4.238151      2.714177
  N     -10.859665      3.159901      1.946725
  C      -9.771618      2.356392      2.129411
  C      -9.614279      1.213105      1.308297
  C      -8.501163      0.414128      1.471121
  C      -7.548348      0.760080      2.453659
  N      -7.658054      1.808934      3.260167
  C      -8.751732      2.608121      3.109503
  H      -4.171124     -1.411125      5.021341
  H      -4.840567     -0.227385      3.877255
  H      -2.339460     -1.926356      3.326150
  H      -3.975543     -2.363800      2.814992
  H      -2.573051     -1.232948      1.015760
  H      -2.635706      0.274521      1.996633
  H      -5.910716     -1.278517     -0.691221
  H      -6.214715     -0.140629     -2.896497
  H      -3.780981      3.740106     -2.787898
  H      -2.348110      4.872509     -1.034431
  H      -2.040178      3.740805      1.175397
  H      -2.960710      6.126914      5.047205
  H      -3.974099      5.396577      6.303207
  H      -5.509847      6.048227      4.634359
  H      -5.363374      4.306159      4.435939
  H      -3.443774      4.877468      2.715862
  H      -4.230055      6.481040      2.609125
  H      -6.297690      7.180425      2.941120
  H      -8.462254      8.115193      2.234846
  H     -10.296274      5.267687     -0.872126
  H      -9.547341      3.074854     -1.888803
  H      -7.374653      2.087579     -1.144035
  H      -6.889208      1.261072      7.003984
  H      -6.610299      2.035114      5.429666
  H      -6.375077      4.273382      6.855617
  H      -7.289087      3.378482      8.083821
  H      -8.922778      4.529238      6.696129
  H      -8.991704      2.805691      6.220326
  H     -10.140388      5.491817      4.301118
  H     -11.809666      4.890069      2.540073
  H     -10.377336      1.009904      0.554660
  H      -8.335927     -0.464340      0.845089
  H      -6.647455      0.149223      2.572223
98
Coordinates from ORCA-job orca E -6374.086037869100
  N      -3.031983      0.322460      4.741021
  Mo     -3.700870      2.147804      5.230059
  N      -4.964966      2.061177      6.688674
  C      -4.455194      1.956615      8.060833
  C      -3.078098      1.307552      7.987459
  N      -2.319280      1.875764      6.819589
  C      -1.277257      0.920575      6.341644
  C      -1.921115     -0.203963      5.530753
  C      -1.714892      3.206719      7.155617
  C      -1.574743      4.007781      5.858927
  N      -2.839315      3.989479      5.118542
  H      -1.127922     -0.651132      4.899318
  H      -2.266979     -1.024452      6.198507
  H      -0.587979      1.491668      5.705343
  H      -0.701441      0.519541      7.196701
  H      -1.257012      5.038374      6.104269
  H      -0.766183      3.572891      5.244610
  H      -2.407766      3.720577      7.836493
  H      -0.753912      3.060051      7.681504
  H      -5.113291      1.332385      8.694306
  H      -4.399853      2.949061      8.551265
  H      -3.202856      0.234774      7.786116
  H      -2.495420      1.428559      8.917083
  C      -3.899997     -0.711683      4.205886
  C      -3.300537     -1.510120      3.034285
  C      -3.112758     -0.672654      1.788001
  O      -4.449143     -0.417753      1.254054
  C      -4.562473      0.237228      0.071621
  C      -5.405938     -0.305454     -0.886463
  C      -5.580227      0.352240     -2.119378
  N      -4.995173      1.494508     -2.452372
  C      -4.188622      2.065278     -1.510730
  C      -3.578502      3.310900     -1.799255
  C      -2.785900      3.912300     -0.846787
  C      -2.605509      3.265051      0.396458
  N      -3.150288      2.101378      0.712934
  C      -3.931408      1.489435     -0.220392
  C      -3.600416      5.225177      5.229491
  C      -4.816074      5.224511      4.300853
  C      -4.397785      5.384972      2.844389
  O      -5.317097      4.791437      1.905469
  C      -6.474293      5.419441      1.643466
  C      -6.897925      6.621977      2.195231
  C      -8.139258      7.161406      1.799783
  N      -8.964963      6.619084      0.917792
  C      -8.562194      5.438508      0.358245
  C      -9.392563      4.811006     -0.602945
  C      -8.986698      3.623227     -1.170567
  C      -7.755457      3.058787     -0.767237
  N      -6.946256      3.605029      0.126187
  C      -7.332840      4.781959      0.685049
  C      -6.407979      2.135122      6.537001
  C      -7.053524      3.449568      7.015525
  C      -8.339908      3.728374      6.259245
  O      -7.980072      4.069672      4.893983
  C      -8.914438      3.757797      3.944045
  C     -10.020770      4.562197      3.734572
  C     -10.954275      4.211819      2.738396
  N     -10.853877      3.141279      1.961775
  C      -9.754014      2.351981      2.134177
  C      -9.585734      1.215332      1.306088
  C      -8.462008      0.429872      1.460005
  C      -7.510264      0.781794      2.441283
  N      -7.629508      1.824456      3.254318
  C      -8.733324      2.611067      3.111629
  H      -4.179655     -1.429597      5.007132
  H      -4.836312     -0.239520      3.862246
  H      -2.322677     -1.924753      3.328486
  H      -3.951078     -2.369023      2.799602
  H      -2.543448     -1.218959      1.017753
  H      -2.617984      0.281269      2.008361
  H      -5.910385     -1.251093     -0.682423
  H      -6.232128     -0.097460     -2.876351
  H      -3.768527      3.763009     -2.774224
  H      -2.304499      4.873800     -1.032930
  H      -1.978861      3.727310      1.166757
  H      -2.957984      6.099603      4.989901
  H      -3.963330      5.395861      6.267052
  H      -5.516143      6.014445      4.607201
  H      -5.364413      4.272659      4.416210
  H      -3.464158      4.833621      2.677877
  H      -4.237959      6.443686      2.577956
  H      -6.300514      7.155702      2.932068
  H      -8.465107      8.106205      2.249189
  H     -10.338303      5.290108     -0.861088
  H      -9.602381      3.108311     -1.909891
  H      -7.423154      2.110615     -1.198906
  H      -6.906571      1.283663      7.046925
  H      -6.625380      2.030924      5.459510
  H      -6.356970      4.286508      6.842350
  H      -7.270452      3.426533      8.095968
  H      -8.903544      4.568960      6.699126
  H      -8.993502      2.839336      6.249541
  H     -10.159634      5.463931      4.332465
  H     -11.826560      4.852211      2.572740
  H     -10.350138      1.005487      0.555824
  H      -8.288517     -0.443317      0.829102
  H      -6.602707      0.180283      2.554198
98
Coordinates from ORCA-job orca E -6374.086880201088
  N      -3.040881      0.303992      4.753596
  Mo     -3.713535      2.127497      5.238008
  N      -4.972617      2.057603      6.703922
  C      -4.457153      1.968100      8.074690
  C      -3.081006      1.316645      8.003840
  N      -2.326313      1.868714      6.825985
  C      -1.289028      0.905974      6.352408
  C      -1.940578     -0.223876      5.556770
  C      -1.719311      3.202873      7.142878
  C      -1.577088      3.986191      5.835745
  N      -2.841747      3.961504      5.095466
  H      -1.149588     -0.690526      4.936795
  H      -2.300201     -1.029369      6.235473
  H      -0.602993      1.468810      5.705403
  H      -0.709293      0.511763      7.207864
  H      -1.256970      5.019065      6.067793
  H      -0.769608      3.541481      5.227123
  H      -2.412165      3.727746      7.815391
  H      -0.759044      3.062025      7.671747
  H      -5.113832      1.351415      8.717064
  H      -4.399157      2.965800      8.554215
  H      -3.207448      0.241266      7.818162
  H      -2.494091      1.450010      8.929043
  C      -3.900363     -0.729491      4.203105
  C      -3.285247     -1.517668      3.032586
  C      -3.091577     -0.669583      1.794420
  O      -4.425482     -0.415567      1.254396
  C      -4.539208      0.251498      0.079009
  C      -5.390311     -0.278089     -0.879853
  C      -5.568573      0.392377     -2.104974
  N      -4.980331      1.535367     -2.430326
  C      -4.165708      2.092942     -1.487807
  C      -3.550882      3.338110     -1.768065
  C      -2.749651      3.926870     -0.814614
  C      -2.565593      3.267448      0.421402
  N      -3.114911      2.103531      0.730440
  C      -3.903744      1.503523     -0.204362
  C      -3.598041      5.201932      5.187652
  C      -4.818410      5.190211      4.265325
  C      -4.408305      5.346098      2.806079
  O      -5.339993      4.763082      1.872606
  C      -6.493266      5.402085      1.620766
  C      -6.904902      6.603270      2.184455
  C      -8.147788      7.151380      1.806356
  N      -8.986231      6.618836      0.930461
  C      -8.593567      5.441962      0.356061
  C      -9.436463      4.826452     -0.601920
  C      -9.039525      3.644579     -1.187677
  C      -7.804380      3.073770     -0.805730
  N      -6.984517      3.607516      0.085545
  C      -7.362657      4.778304      0.662780
  C      -6.415642      2.146666      6.559547
  C      -7.039616      3.479247      7.016378
  C      -8.327563      3.762187      6.263888
  O      -7.970572      4.070079      4.890087
  C      -8.911286      3.751728      3.949034
  C     -10.031340      4.541235      3.755407
  C     -10.969049      4.183488      2.765962
  N     -10.861085      3.118879      1.982056
  C      -9.749299      2.343486      2.140475
  C      -9.575404      1.211141      1.307583
  C      -8.441137      0.438719      1.448845
  C      -7.484879      0.798585      2.422837
  N      -7.608572      1.837292      3.240270
  C      -8.722615      2.611579      3.109435
  H      -4.187611     -1.452876      4.996596
  H      -4.833587     -0.257249      3.851325
  H      -2.307573     -1.928292      3.332854
  H      -3.928614     -2.378782      2.786414
  H      -2.514744     -1.206689      1.023346
  H      -2.602145      0.284281      2.026129
  H      -5.897932     -1.223381     -0.682153
  H      -6.226800     -0.047047     -2.862577
  H      -3.744303      3.800311     -2.737626
  H      -2.264260      4.887516     -0.994870
  H      -1.932592      3.719516      1.192696
  H      -2.953871      6.069665      4.928791
  H      -3.953754      5.392368      6.224241
  H      -5.519920      5.978997      4.570989
  H      -5.363363      4.237368      4.387933
  H      -3.481294      4.785923      2.632501
  H      -4.240250      6.403636      2.539820
  H      -6.297538      7.128671      2.919075
  H      -8.464394      8.094267      2.266296
  H     -10.383765      5.310736     -0.844386
  H      -9.664029      3.139991     -1.926735
  H      -7.477331      2.131519     -1.254058
  H      -6.921820      1.311994      7.089369
  H      -6.640633      2.025286      5.485547
  H      -6.332563      4.301788      6.818458
  H      -7.246985      3.482284      8.098855
  H      -8.875468      4.619319      6.691433
  H      -8.994371      2.883043      6.275690
  H     -10.177898      5.436923      4.360554
  H     -11.851694      4.812544      2.611908
  H     -10.345019      0.993433      0.564889
  H      -8.263481     -0.430968      0.814303
  H      -6.570353      0.206232      2.526568
98
Coordinates from ORCA-job orca E -6374.087659882924
  N      -3.051171      0.284546      4.764373
  Mo     -3.727989      2.106125      5.244426
  N      -4.980818      2.052449      6.718368
  C      -4.458412      1.977360      8.087024
  C      -3.083075      1.324125      8.017083
  N      -2.333767      1.861287      6.829348
  C      -1.300604      0.892186      6.359272
  C      -1.958895     -0.243080      5.578373
  C      -1.725158      3.198789      7.127280
  C      -1.582922      3.964947      5.810085
  N      -2.848156      3.932896      5.070854
  H      -1.170343     -0.726091      4.967958
  H      -2.328902     -1.035191      6.267170
  H      -0.618561      1.447695      5.701886
  H      -0.716288      0.504966      7.214652
  H      -1.261238      5.000156      6.028850
  H      -0.776574      3.511490      5.206491
  H      -2.417693      3.733447      7.792402
  H      -0.764900      3.064393      7.657894
  H      -5.112818      1.367908      8.738633
  H      -4.397511      2.979986      8.555940
  H      -3.210744      0.246467      7.846212
  H      -2.491353      1.469205      8.937384
  C      -3.901952     -0.749202      4.200706
  C      -3.272103     -1.527285      3.031229
  C      -3.071240     -0.667913      1.802048
  O      -4.402235     -0.411183      1.256693
  C      -4.515319      0.269081      0.089026
  C      -5.375477     -0.244720     -0.870522
  C      -5.557006      0.440104     -2.086854
  N      -4.963704      1.583004     -2.403627
  C      -4.139586      2.124811     -1.460287
  C      -3.517614      3.368397     -1.731481
  C      -2.705674      3.941635     -0.777349
  C      -2.518623      3.268479      0.450495
  N      -3.075006      2.105450      0.751447
  C      -3.873349      1.519994     -0.184730
  C      -3.600666      5.177031      5.144575
  C      -4.825291      5.154026      4.228132
  C      -4.422929      5.305819      2.766279
  O      -5.365805      4.732487      1.837808
  C      -6.515342      5.381576      1.595308
  C      -6.915298      6.581939      2.169055
  C      -8.159175      7.138223      1.806688
  N      -9.009496      6.614528      0.937010
  C      -8.626794      5.440689      0.349806
  C      -9.481417      4.836069     -0.604603
  C      -9.093387      3.659395     -1.206339
  C      -7.855029      3.082717     -0.844073
  N      -7.025289      3.604980      0.044825
  C      -7.395011      4.770274      0.638358
  C      -6.423629      2.157676      6.582392
  C      -7.024657      3.507346      7.019817
  C      -8.313785      3.797158      6.271689
  O      -7.959609      4.072705      4.890462
  C      -8.906035      3.749075      3.957500
  C     -10.038620      4.524364      3.779047
  C     -10.979530      4.160472      2.795040
  N     -10.864217      3.102333      2.003359
  C      -9.741699      2.339999      2.148660
  C      -9.562256      1.212296      1.310625
  C      -8.418745      0.451821      1.440455
  C      -7.458960      0.818433      2.408441
  N      -7.586932      1.853042      3.230346
  C      -8.710112      2.615854      3.110370
  H      -4.195258     -1.477630      4.987210
  H      -4.832797     -0.277719      3.841763
  H      -2.295280     -1.935439      3.337388
  H      -3.909201     -2.389547      2.773061
  H      -2.488209     -1.196113      1.029549
  H      -2.585190      0.284480      2.045960
  H      -5.888006     -1.188767     -0.679855
  H      -6.222774      0.013098     -2.844970
  H      -3.713982      3.841998     -2.694897
  H      -2.214201      4.900352     -0.951216
  H      -1.877550      3.707996      1.222443
  H      -2.955347      6.038340      4.867521
  H      -3.949906      5.386184      6.179712
  H      -5.528665      5.941193      4.533214
  H      -5.366397      4.199884      4.357423
  H      -3.502122      4.737644      2.586157
  H      -4.247378      6.362167      2.500019
  H      -6.298520      7.099967      2.900931
  H      -8.466716      8.079664      2.275585
  H     -10.429771      5.325226     -0.832782
  H      -9.726285      3.164160     -1.944530
  H      -7.533256      2.145811     -1.307195
  H      -6.937036      1.339650      7.130860
  H      -6.657354      2.021173      5.512243
  H      -6.306741      4.314507      6.799087
  H      -7.222105      3.534294      8.103711
  H      -8.844628      4.670517      6.687579
  H      -8.994577      2.929348      6.303745
  H     -10.192546      5.413737      4.391613
  H     -11.871556      4.778800      2.652026
  H     -10.336006      0.987856      0.574273
  H      -8.237048     -0.414228      0.802189
  H      -6.538388      0.234445      2.503875
98
Coordinates from ORCA-job orca E -6374.088404567164
  N      -3.062210      0.265846      4.774767
  Mo     -3.742605      2.085497      5.251326
  N      -4.989951      2.048724      6.732496
  C      -4.461183      1.987442      8.099032
  C      -3.086968      1.331648      8.030361
  N      -2.342260      1.853613      6.833434
  C      -1.313485      0.877785      6.367059
  C      -1.978464     -0.262056      5.599819
  C      -1.731736      3.193988      7.112720
  C      -1.588300      3.942802      5.785783
  N      -2.853552      3.903787      5.046683
  H      -1.192299     -0.760868      4.999188
  H      -2.359099     -1.040954      6.297821
  H      -0.634750      1.425853      5.700147
  H      -0.725354      0.496885      7.222502
  H      -1.264883      4.980079      5.991474
  H      -0.782747      3.480447      5.187908
  H      -2.424234      3.738537      7.769838
  H      -0.771873      3.065763      7.645641
  H      -5.113837      1.385449      8.759363
  H      -4.397066      2.994728      8.557616
  H      -3.216303      0.252009      7.873961
  H      -2.490775      1.487737      8.945914
  C      -3.904016     -0.767661      4.197066
  C      -3.259604     -1.534592      3.028062
  C      -3.050756     -0.662677      1.809105
  O      -4.378609     -0.400082      1.259520
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  C      -5.548902      0.498831     -2.064915
  N      -4.947878      1.639871     -2.374134
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  C      -3.478261      3.403014     -1.695334
  C      -2.651375      3.957704     -0.742755
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  C      -3.601623      5.151738      5.100263
  C      -4.829659      5.117361      4.188867
  C      -4.434230      5.264320      2.724699
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  C      -6.920631      6.560734      2.150641
  C      -8.165556      7.125071      1.804875
  N      -9.029179      6.609026      0.943826
  C      -8.657931      5.437132      0.345417
  C      -9.526114      4.841878     -0.602491
  C      -9.148755      3.669202     -1.218425
  C      -7.907036      3.087027     -0.876990
  N      -7.065656      3.599218      0.006823
  C      -7.425266      4.760174      0.614905
  C      -6.432218      2.170568      6.603836
  C      -7.010018      3.537280      7.019969
  C      -8.300358      3.833585      6.276100
  O      -7.950228      4.072857      4.887285
  C      -8.903524      3.743437      3.964141
  C     -10.048793      4.503782      3.802045
  C     -10.994256      4.132418      2.825343
  N     -10.873011      3.079838      2.027038
  C      -9.739760      2.330973      2.158390
  C      -9.556539      1.206270      1.317100
  C      -8.403851      0.458016      1.434815
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  H      -4.203475     -1.501781      4.975801
  H      -4.832412     -0.296540      3.831457
  H      -2.284018     -1.941373      3.339786
  H      -3.890828     -2.397171      2.756798
  H      -2.462748     -1.181814      1.034287
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  H      -5.883492     -1.142362     -0.673582
  H      -6.225142      0.086517     -2.821931
  H      -3.678400      3.888908     -2.651815
  H      -2.151157      4.912843     -0.911325
  H      -1.808277      3.694633      1.246998
  H      -2.954499      6.005805      4.805269
  H      -3.945328      5.380317      6.133103
  H      -5.535043      5.902999      4.492708
  H      -5.367030      4.161964      4.324741
  H      -3.520060      4.687550      2.538630
  H      -4.250486      6.319194      2.457956
  H      -6.293232      7.072340      2.877876
  H      -8.462854      8.065943      2.281439
  H     -10.475583      5.335718     -0.815541
  H      -9.791554      3.182116     -1.953443
  H      -7.592086      2.154429     -1.353427
  H      -6.952894      1.370240      7.171210
  H      -6.674430      2.018244      5.537794
  H      -6.281530      4.327995      6.775668
  H      -7.196971      3.589245      8.104712
  H      -8.812841      4.724129      6.678150
  H      -8.995607      2.978521      6.330647
  H     -10.209234      5.387226      4.421476
  H     -11.895777      4.739530      2.694198
  H     -10.335719      0.973591      0.589074
  H      -8.219452     -0.405673      0.794200
  H      -6.512044      0.258022      2.480541
98
Coordinates from ORCA-job orca E -6374.089095673588
  N      -3.071632      0.250693      4.787227
  Mo     -3.757589      2.066886      5.263184
  N      -5.001336      2.044487      6.749940
  C      -4.467922      1.994484      8.114870
  C      -3.094308      1.337020      8.047842
  N      -2.353278      1.846166      6.843554
  C      -1.327563      0.865112      6.380878
  C      -1.997689     -0.278151      5.624530
  C      -1.742472      3.189296      7.106959
  C      -1.595647      3.922416      5.771786
  N      -2.859260      3.876183      5.030023
  H      -1.213007     -0.791688      5.034589
  H      -2.389795     -1.044522      6.329957
  H      -0.651498      1.407118      5.706462
  H      -0.736656      0.489336      7.236541
  H      -1.271869      4.961628      5.966524
  H      -0.789179      3.452922      5.180753
  H      -2.436825      3.742180      7.755107
  H      -0.784041      3.067551      7.644017
  H      -5.119160      1.398313      8.781950
  H      -4.401698      3.005412      8.565268
  H      -3.224543      0.255799      7.903717
  H      -2.494788      1.502551      8.959518
  C      -3.902599     -0.782487      4.193213
  C      -3.242863     -1.534909      3.023154
  C      -3.029084     -0.650036      1.814242
  O      -4.354964     -0.384311      1.261959
  C      -4.470149      0.318465      0.108261
  C      -5.360569     -0.161288     -0.841690
  C      -5.554369      0.547785     -2.041356
  N      -4.945479      1.684222     -2.352023
  C      -4.090113      2.192289     -1.418129
  C      -3.447302      3.426396     -1.683512
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  C      -2.401230      3.270414      0.472609
  N      -2.977753      2.115271      0.768899
  C      -3.808003      1.560554     -0.158621
  C      -3.603439      5.127214      5.062752
  C      -4.833647      5.080715      4.154979
  C      -4.443362      5.225051      2.689300
  O      -5.406905      4.671779      1.769269
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  C      -8.684105      5.436429      0.343742
  C      -9.564934      4.851518     -0.598725
  C      -9.197900      3.683620     -1.229544
  C      -7.953264      3.096042     -0.908719
  N      -7.100920      3.597412     -0.029229
  C      -7.450883      4.753059      0.594420
  C      -6.442718      2.182565      6.626870
  C      -6.998555      3.564567      7.022965
  C      -8.289187      3.867609      6.281983
  O      -7.941432      4.069287      4.886862
  C      -8.900069      3.735250      3.971990
  C     -10.058221      4.479480      3.826034
  C     -11.005697      4.101938      2.853827
  N     -10.876187      3.056958      2.046826
  C      -9.732412      2.322129      2.165169
  C      -9.543399      1.201753      1.319385
  C      -8.381859      0.465997      1.426348
  C      -7.413642      0.849096      2.379496
  N      -7.548805      1.877285      3.208115
  C      -8.690152      2.616071      3.110020
  H      -4.206473     -1.524612      4.962443
  H      -4.829479     -0.312616      3.822333
  H      -2.267391     -1.938371      3.339314
  H      -3.866320     -2.398855      2.738728
  H      -2.436507     -1.159735      1.036724
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  H      -5.888178     -1.097852     -0.655707
  H      -6.244759      0.147018     -2.791768
  H      -3.655151      3.919715     -2.634485
  H      -2.091573      4.916568     -0.910623
  H      -1.734643      3.684005      1.237284
  H      -2.954568      5.973970      4.750848
  H      -3.943031      5.374945      6.092478
  H      -5.542838      5.863059      4.457754
  H      -5.365800      4.122954      4.295514
  H      -3.535157      4.640825      2.498002
  H      -4.251957      6.278808      2.423480
  H      -6.285638      7.045858      2.860061
  H      -8.455811      8.053455      2.291563
  H     -10.515225      5.349993     -0.796685
  H      -9.850046      3.205281     -1.961998
  H      -7.645119      2.168246     -1.398856
  H      -6.970910      1.398997      7.210431
  H      -6.691794      2.016726      5.564614
  H      -6.260229      4.339045      6.757312
  H      -7.175690      3.639775      8.107868
  H      -8.783285      4.775071      6.668653
  H      -8.998761      3.026193      6.358061
  H     -10.227139      5.355247      4.454001
  H     -11.916622      4.697200      2.733997
  H     -10.326297      0.961441      0.597923
  H      -8.193252     -0.394390      0.782653
  H      -6.481142      0.282481      2.458165
98
Coordinates from ORCA-job orca E -6374.089786238852
  N      -3.083664      0.232395      4.801053
  Mo     -3.773838      2.045888      5.274778
  N      -5.014600      2.041588      6.766833
  C      -4.476515      2.003800      8.130131
  C      -3.104620      1.342197      8.065945
  N      -2.366013      1.835662      6.854155
  C      -1.344634      0.847411      6.396951
  C      -2.021129     -0.298406      5.651690
  C      -1.753138      3.180685      7.100281
  C      -1.601242      3.896537      5.756584
  N      -2.862966      3.843190      5.012059
  H      -1.238593     -0.828123      5.073497
  H      -2.426452     -1.050836      6.364503
  H      -0.669865      1.381791      5.715322
  H      -0.752246      0.476393      7.253577
  H      -1.276371      4.937468      5.939642
  H      -0.793972      3.418919      5.173179
  H      -2.449010      3.743371      7.738288
  H      -0.796624      3.064823      7.642116
  H      -5.127266      1.415555      8.804834
  H      -4.406392      3.018783      8.570984
  H      -3.237433      0.259588      7.935414
  H      -2.501939      1.517147      8.973778
  C      -3.901637     -0.799854      4.187379
  C      -3.223140     -1.532129      3.015159
  C      -3.004717     -0.630363      1.819377
  O      -4.327984     -0.364993      1.261538
  C      -4.446124      0.348670      0.115011
  C      -5.349183     -0.117828     -0.829884
  C      -5.551013      0.601664     -2.021529
  N      -4.938531      1.736801     -2.329759
  C      -4.070103      2.231556     -1.401078
  C      -3.421834      3.463215     -1.664202
  C      -2.560646      3.990610     -0.726178
  C      -2.352667      3.284318      0.478580
  N      -2.934021      2.130734      0.772828
  C      -3.777920      1.588076     -0.149506
  C      -3.601698      5.097815      5.020431
  C      -4.834118      5.037798      4.116464
  C      -4.449175      5.178704      2.649232
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  C      -6.983758      3.598595      7.022795
  C      -8.273540      3.911588      6.284267
  O      -7.928915      4.064420      4.882564
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  C     -10.065406      4.455461      3.850149
  C     -11.016578      4.071383      2.884320
  N     -10.881649      3.032613      2.070146
  C      -9.728718      2.310259      2.175440
  C      -9.537085      1.191853      1.327660
  C      -8.368239      0.466688      1.424358
  C      -7.395034      0.858218      2.368979
  N      -7.531717      1.884961      3.199020
  C      -8.680665      2.613228      3.110819
  H      -4.208813     -1.552908      4.944390
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  H      -3.835824     -2.398026      2.713956
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  H      -5.880676     -1.052486     -0.645741
  H      -6.251484      0.210843     -2.767834
  H      -3.637090      3.965139     -2.608952
  H      -2.046995      4.938321     -0.895909
  H      -1.676068      3.688282      1.239598
  H      -2.950070      5.935229      4.689599
  H      -3.936767      5.367775      6.045960
  H      -5.547704      5.816331      4.417847
  H      -5.360689      4.077399      4.262106
  H      -3.548092      4.585531      2.452351
  H      -4.248434      6.230888      2.384001
  H      -6.271123      7.017488      2.833990
  H      -8.440789      8.040546      2.294001
  H     -10.553924      5.359815     -0.776276
  H      -9.912343      3.220549     -1.964405
  H      -7.702912      2.173021     -1.438737
  H      -6.991722      1.435728      7.251275
  H      -6.711689      2.018660      5.591972
  H      -6.233334      4.353022      6.734475
  H      -7.150110      3.699821      8.107160
  H      -8.743318      4.840249      6.650023
  H      -9.001677      3.089244      6.387043
  H     -10.240567      5.324732      4.485328
  H     -11.935906      4.655803      2.776039
  H     -10.324678      0.943721      0.614105
  H      -8.177908     -0.392327      0.779491
  H      -6.457648      0.298993      2.439910
98
Coordinates from ORCA-job orca E -6374.090379770578
  N      -3.092653      0.219896      4.818348
  Mo     -3.787870      2.030287      5.290841
  N      -5.026880      2.039810      6.786858
  C      -4.485226      2.012863      8.148996
  C      -3.114301      1.348543      8.087675
  N      -2.377532      1.828855      6.869801
  C      -1.359307      0.834752      6.417806
  C      -2.040892     -0.312819      5.681330
  C      -1.763266      3.175489      7.101614
  C      -1.606587      3.877007      5.751249
  N      -2.866470      3.816956      5.004114
  H      -1.260084     -0.856617      5.114077
  H      -2.458417     -1.052915      6.399948
  H      -0.685150      1.362785      5.730685
  H      -0.766209      0.467466      7.275542
  H      -1.281561      4.919486      5.924978
  H      -0.798053      3.393400      5.174468
  H      -2.460968      3.746156      7.730542
  H      -0.808622      3.064942      7.648029
  H      -5.135233      1.430849      8.829979
  H      -4.412704      3.031280      8.581849
  H      -3.248867      0.264821      7.968544
  H      -2.509281      1.531539      8.992431
  C      -3.897844     -0.811397      4.186025
  C      -3.202344     -1.523582      3.011312
  C      -2.982972     -0.606763      1.826901
  O      -4.304913     -0.344382      1.265015
  C      -4.428160      0.371011      0.120308
  C      -5.348642     -0.087640     -0.811831
  C      -5.560519      0.632290     -2.001102
  N      -4.941693      1.761176     -2.319507
  C      -4.055160      2.247966     -1.404029
  C      -3.398309      3.472547     -1.678672
  C      -2.517818      3.992846     -0.754527
  C      -2.299216      3.286549      0.448180
  N      -2.887967      2.139161      0.753056
  C      -3.750795      1.603173     -0.155624
  C      -3.601014      5.074126      4.991360
  C      -4.835449      5.001763      4.090881
  C      -4.455833      5.141821      2.622348
  O      -5.439579      4.612295      1.708942
  C      -6.572871      5.302248      1.505647
  C      -6.919556      6.502132      2.114207
  C      -8.164335      7.093167      1.816369
  N      -9.065462      6.602972      0.979183
  C      -8.729866      5.438308      0.346473
  C      -9.636483      4.875780     -0.584798
  C      -9.292815      3.716891     -1.244541
  C      -8.044507      3.116577     -0.964325
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  C      -7.497741      4.740120      0.560125
  C      -6.465787      2.211597      6.673941
  C      -6.975467      3.624184      7.024800
  C      -8.263911      3.943206      6.285949
  O      -7.921454      4.051778      4.879752
  C      -8.892912      3.710739      3.984270
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  C     -11.027741      4.034810      2.910097
  N     -10.884420      3.006003      2.084701
  C      -9.721605      2.297664      2.176074
  C      -9.524052      1.185311      1.321652
  C      -8.346902      0.472465      1.406638
  C      -7.371053      0.869991      2.346133
  N      -7.512607      1.891279      3.182030
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  H      -4.206771     -1.575475      4.931059
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  H      -3.803737     -2.392292      2.695727
  H      -2.374866     -1.090671      1.045007
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  H      -5.886406     -1.016991     -0.619044
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  H      -1.608684      3.685596      1.199255
  H      -2.947398      5.903377      4.644118
  H      -3.932045      5.363432      6.012889
  H      -5.554097      5.775532      4.392006
  H      -5.355571      4.038293      4.240118
  H      -3.561269      4.541065      2.419182
  H      -4.246732      6.193032      2.359395
  H      -6.261242      6.992948      2.827926
  H      -8.429615      8.032023      2.315246
  H     -10.586810      5.385120     -0.752801
  H      -9.964525      3.257059     -1.971194
  H      -7.752640      2.197525     -1.480660
  H      -7.009292      1.465061      7.291071
  H      -6.728934      2.016544      5.620583
  H      -6.216015      4.362130      6.717981
  H      -7.133859      3.747998      8.107972
  H      -8.713340      4.889701      6.630759
  H      -9.007337      3.138046      6.412056
  H     -10.259285      5.282560      4.518757
  H     -11.956020      4.607253      2.814118
  H     -10.314886      0.930799      0.613914
  H      -8.152409     -0.382141      0.757137
  H      -6.428018      0.319271      2.408804
98
Coordinates from ORCA-job orca E -6374.091013529975
  N      -3.108616      0.202267      4.833666
  Mo     -3.805917      2.010500      5.304109
  N      -5.041164      2.039612      6.805958
  C      -4.493577      2.025195      8.165939
  C      -3.125670      1.354203      8.106988
  N      -2.391347      1.816970      6.881276
  C      -1.379106      0.813963      6.435501
  C      -2.069075     -0.334220      5.709307
  C      -1.772478      3.163976      7.095607
  C      -1.610763      3.848268      5.737330
  N      -2.869677      3.782127      4.989125
  H      -1.291956     -0.894784      5.153595
  H      -2.500749     -1.059686      6.434324
  H      -0.704630      1.333024      5.741986
  H      -0.785828      0.449962      7.294502
  H      -1.283622      4.891912      5.899516
  H      -0.802447      3.356326      5.167290
  H      -2.470240      3.745150      7.714806
  H      -0.819513      3.057862      7.645943
  H      -5.143189      1.453059      8.855807
  H      -4.414892      3.047760      8.588133
  H      -3.265040      0.269673      8.001626
  H      -2.516676      1.545298      9.007451
  C      -3.899927     -0.826519      4.179953
  C      -3.184038     -1.513271      3.002319
  C      -2.960333     -0.575669      1.834739
  O      -4.278572     -0.316294      1.263809
  C      -4.403100      0.406863      0.124348
  C      -5.333708     -0.041692     -0.802937
  C      -5.551422      0.685041     -1.986570
  N      -4.928913      1.811974     -2.304717
  C      -4.031522      2.288345     -1.394687
  C      -3.369756      3.510272     -1.669255
  C      -2.477498      4.020950     -0.750901
  C      -2.252052      3.307633      0.446183
  N      -2.844969      2.162098      0.750893
  C      -3.719467      1.635547     -0.151979
  C      -3.597476      5.042743      4.951204
  C      -4.834944      4.956514      4.055638
  C      -4.461541      5.092799      2.585319
  O      -5.455883      4.575067      1.676369
  C      -6.584242      5.275958      1.482277
  C      -6.915519      6.477522      2.096148
  C      -8.159076      7.078221      1.813046
  N      -9.073310      6.595481      0.985864
  C      -8.751724      5.431168      0.345290
  C      -9.672010      4.878140     -0.578044
  C      -9.341544      3.721892     -1.249040
  C      -8.092097      3.115252     -0.988303
  N      -7.205547      3.583438     -0.124355
  C      -7.521118      4.725186      0.541826
  C      -6.478272      2.231517      6.700492
  C      -6.959472      3.661071      7.024065
  C      -8.245408      3.990991      6.285364
  O      -7.908034      4.039708      4.875000
  C      -8.888483      3.696401      3.992412
  C     -10.080673      4.395228      3.898718
  C     -11.037397      4.002783      2.942060
  N     -10.891221      2.980580      2.108970
  C      -9.721356      2.282363      2.187160
  C      -9.523566      1.171931      1.330338
  C      -8.341159      0.467083      1.405065
  C      -7.359706      0.870821      2.336058
  N      -7.500577      1.890904      3.173399
  C      -8.663839      2.598761      3.106966
  H      -4.210681     -1.603878      4.910138
  H      -4.825306     -0.363184      3.797606
  H      -2.206058     -1.899451      3.332003
  H      -3.772347     -2.383322      2.666634
  H      -2.340285     -1.042055      1.051645
  H      -2.502568      0.368969      2.150248
  H      -5.875252     -0.968777     -0.610077
  H      -6.274209      0.307355     -2.718357
  H      -3.599741      4.018764     -2.607020
  H      -1.952822      4.960795     -0.930687
  H      -1.553150      3.699274      1.193409
  H      -2.940603      5.860574      4.583710
  H      -3.922543      5.356189      5.967424
  H      -5.558346      5.725964      4.355672
  H      -5.349055      3.990317      4.210577
  H      -3.574624      4.482868      2.376269
  H      -4.242690      6.142126      2.322565
  H      -6.246025      6.962669      2.803178
  H      -8.412039      8.018093      2.316362
  H     -10.621713      5.393081     -0.731820
  H     -10.023855      3.269912     -1.970747
  H      -7.809688      2.199208     -1.515421
  H      -7.029771      1.507763      7.337386
  H      -6.751475      2.019371      5.653352
  H      -6.187338      4.375800      6.694807
  H      -7.106880      3.812993      8.105112
  H      -8.665183      4.960710      6.601454
  H      -9.010092      3.211702      6.442549
  H     -10.268798      5.248255      4.551916
  H     -11.972333      4.566179      2.857843
  H     -10.319179      0.911485      0.630260
  H      -8.146901     -0.386447      0.754181
  H      -6.413095      0.325569      2.391012
98
Coordinates from ORCA-job orca E -6374.091590090976
  N      -3.125498      0.189143      4.850078
  Mo     -3.823153      1.995538      5.319716
  N      -5.054887      2.042852      6.826917
  C      -4.501603      2.039889      8.184827
  C      -3.137190      1.361242      8.127953
  N      -2.404882      1.806916      6.894980
  C      -1.399424      0.794374      6.455213
  C      -2.099010     -0.352827      5.738014
  C      -1.779968      3.153256      7.093506
  C      -1.612961      3.821976      5.728479
  N      -2.871213      3.751521      4.979574
  H      -1.326524     -0.930522      5.193633
  H      -2.545647     -1.063481      6.468520
  H      -0.723451      1.304093      5.756289
  H      -0.806969      0.432154      7.315546
  H      -1.283053      4.866266      5.880564
  H      -0.805330      3.322124      5.164305
  H      -2.477030      3.744703      7.703770
  H      -0.828657      3.050008      7.647410
  H      -5.151091      1.477715      8.883137
  H      -4.416188      3.066187      8.596908
  H      -3.282447      0.276320      8.035105
  H      -2.524078      1.558772      9.024298
  C      -3.904587     -0.835603      4.175464
  C      -3.170882     -1.498300      2.994959
  C      -2.943626     -0.541303      1.843567
  O      -4.258309     -0.284663      1.263955
  C      -4.383433      0.441261      0.126617
  C      -5.327231      0.001948     -0.792016
  C      -5.549087      0.730044     -1.973681
  N      -4.918396      1.850519     -2.298579
  C      -4.007229      2.317598     -1.397761
  C      -3.335980      3.532709     -1.679600
  C      -2.429184      4.035061     -0.770842
  C      -2.198606      3.320137      0.424183
  N      -2.799780      2.180462      0.735442
  C      -3.688972      1.662184     -0.157612
  C      -3.591581      5.015673      4.918732
  C      -4.832621      4.917386      4.028792
  C      -4.466237      5.052200      2.556714
  O      -5.470340      4.545727      1.651744
  C      -6.594793      5.255846      1.467704
  C      -6.912820      6.457149      2.089147
  C      -8.155630      7.066280      1.821191
  N      -9.081537      6.591412      1.002467
  C      -8.772133      5.429179      0.352140
  C      -9.704648      4.886299     -0.564842
  C      -9.385507      3.734608     -1.249103
  C      -8.134750      3.122665     -1.007962
  N      -7.237717      3.580153     -0.149029
  C      -7.542414      4.716737      0.531002
  C      -6.490224      2.252673      6.727890
  C      -6.946137      3.697471      7.021042
  C      -8.229771      4.034372      6.280940
  O      -7.899175      4.021717      4.868465
  C      -8.887243      3.674112      3.998377
  C     -10.090801      4.356052      3.923390
  C     -11.050689      3.958134      2.972279
  N     -10.898882      2.944664      2.129564
  C      -9.720127      2.259985      2.193188
  C      -9.518641      1.154128      1.331285
  C      -8.328886      0.460847      1.393945
  C      -7.343296      0.871565      2.317560
  N      -7.486850      1.887970      3.158813
  C      -8.657781      2.584232      3.104378
  H      -4.217622     -1.625623      4.890774
  H      -4.829119     -0.372891      3.790377
  H      -2.192431     -1.879729      3.328872
  H      -3.747297     -2.368872      2.640630
  H      -2.312321     -0.991207      1.059854
  H      -2.495517      0.401782      2.176731
  H      -5.876161     -0.919557     -0.593373
  H      -6.282511      0.359028     -2.698325
  H      -3.570535      4.042981     -2.615295
  H      -1.897181      4.969644     -0.956682
  H      -1.489511      3.705766      1.164911
  H      -2.931374      5.821840      4.531965
  H      -3.909853      5.352112      5.929680
  H      -5.560775      5.681972      4.329249
  H      -5.340323      3.948326      4.188491
  H      -3.585956      4.435121      2.340974
  H      -4.239509      6.100301      2.295413
  H      -6.233419      6.935974      2.791005
  H      -8.397931      8.005708      2.330626
  H     -10.654045      5.405973     -0.704124
  H     -10.077096      3.291330     -1.967459
  H      -7.860601      2.211177     -1.547568
  H      -7.048251      1.552125      7.384766
  H      -6.772982      2.021471      5.687783
  H      -6.163245      4.389470      6.669330
  H      -7.082973      3.878449      8.098941
  H      -8.620923      5.025612      6.565065
  H      -9.013945      3.281983      6.470080
  H     -10.285469      5.200646      4.585528
  H     -11.993721      4.509792      2.900917
  H     -10.318197      0.886784      0.638358
  H      -8.132264     -0.389492      0.739590
  H      -6.391441      0.334582      2.363738
98
Coordinates from ORCA-job orca E -6374.092140023858
  N      -3.145093      0.176948      4.865250
  Mo     -3.840758      1.982353      5.333868
  N      -5.069358      2.049738      6.846095
  C      -4.510187      2.058127      8.201808
  C      -3.150707      1.369062      8.147667
  N      -2.419371      1.795738      6.907657
  C      -1.422580      0.771664      6.474911
  C      -2.133827     -0.372688      5.766098
  C      -1.785668      3.139845      7.090700
  C      -1.612284      3.793187      5.719497
  N      -2.870106      3.720088      4.970326
  H      -1.367482     -0.969339      5.233786
  H      -2.597617     -1.066925      6.501553
  H      -0.743395      1.270495      5.771299
  H      -0.832563      0.409935      7.337136
  H      -1.278353      4.837544      5.861986
  H      -0.806081      3.284805      5.160868
  H      -2.480765      3.742626      7.692110
  H      -0.836251      3.037466      7.648150
  H      -5.160418      1.507845      8.909035
  H      -4.415948      3.088132      8.602954
  H      -3.304062      0.284217      8.067536
  H      -2.533310      1.571845      9.039963
  C      -3.912124     -0.842183      4.168458
  C      -3.160125     -1.479061      2.985073
  C      -2.927932     -0.501163      1.851941
  O      -4.237640     -0.247345      1.260696
  C      -4.360666      0.481255      0.125117
  C      -5.315118      0.051449     -0.787301
  C      -5.537457      0.780622     -1.967827
  N      -4.897178      1.894082     -2.298254
  C      -3.974640      2.351516     -1.404422
  C      -3.292106      3.558939     -1.692372
  C      -2.372989      4.052438     -0.791078
  C      -2.141346      3.336267      0.402869
  N      -2.752410      2.203188      0.719516
  C      -3.654093      1.693732     -0.165739
  C      -3.581466      4.988133      4.885970
  C      -4.827199      4.877875      4.003180
  C      -4.469231      5.012156      2.529163
  O      -5.483265      4.516291      1.629092
  C      -6.604069      5.235033      1.455516
  C      -6.908151      6.437071      2.082575
  C      -8.150092      7.054338      1.829636
  N      -9.088237      6.586106      1.021104
  C      -8.791852      5.424766      0.363149
  C      -9.737273      4.890469     -0.545525
  C      -9.430256      3.742157     -1.241004
  C      -8.178243      3.125403     -1.019439
  N      -7.270158      3.573618     -0.167214
  C      -7.563202      4.706118      0.524596
  C      -6.502568      2.278707      6.753849
  C      -6.931291      3.738988      7.012001
  C      -8.212724      4.082190      6.270531
  O      -7.892590      3.999749      4.858523
  C      -8.890077      3.648060      4.003987
  C     -10.104082      4.313681      3.948372
  C     -11.068327      3.909661      3.004302
  N     -10.913057      2.903669      2.153298
  C      -9.726556      2.231183      2.202724
  C      -9.523587      1.127718      1.338096
  C      -8.328075      0.443889      1.390162
  C      -7.337562      0.861761      2.305347
  N      -7.481635      1.876841      3.147940
  C      -8.658560      2.563604      3.103790
  H      -4.227833     -1.645543      4.867375
  H      -4.835463     -0.379204      3.780973
  H      -2.181743     -1.856563      3.323774
  H      -3.724284     -2.349002      2.610297
  H      -2.283116     -0.932727      1.068969
  H      -2.491127      0.439807      2.205114
  H      -5.872226     -0.864107     -0.584121
  H      -6.279503      0.416444     -2.687155
  H      -3.528032      4.070686     -2.626934
  H      -1.832497      4.981143     -0.981956
  H      -1.424114      3.715583      1.138953
  H      -2.917512      5.780858      4.478508
  H      -3.891235      5.349056      5.891025
  H      -5.560362      5.636801      4.305302
  H      -5.327896      3.905526      4.167561
  H      -3.595167      4.388970      2.305876
  H      -4.235776      6.059250      2.269446
  H      -6.218195      6.910765      2.777552
  H      -8.381009      7.994260      2.343461
  H     -10.686223      5.414617     -0.670455
  H     -10.131801      3.306371     -1.954354
  H      -7.913054      2.217611     -1.570071
  H      -7.066633      1.604495      7.432776
  H      -6.796439      2.025633      5.722281
  H      -6.137583      4.405209      6.635639
  H      -7.055854      3.952313      8.085385
  H      -8.571739      5.095420      6.516624
  H      -9.017163      3.361772      6.495730
  H     -10.303570      5.151109      4.618039
  H     -12.018600      4.450365      2.945859
  H     -10.327497      0.853291      0.653094
  H      -8.130984     -0.405191      0.734333
  H      -6.381667      0.331389      2.343921
98
Coordinates from ORCA-job orca E -6374.092591222146
  N      -3.163118      0.166453      4.882716
  Mo     -3.855955      1.971896      5.348037
  N      -5.081048      2.059224      6.865340
  C      -4.515383      2.079220      8.218479
  C      -3.160796      1.380187      8.166741
  N      -2.430740      1.787833      6.919800
  C      -1.442584      0.752241      6.494776
  C      -2.165346     -0.389527      5.794756
  C      -1.787796      3.129346      7.087197
  C      -1.609356      3.767379      5.710000
  N      -2.867356      3.691227      4.961934
  H      -1.405839     -1.004125      5.273363
  H      -2.644314     -1.067518      6.535468
  H      -0.760018      1.239910      5.786640
  H      -0.855238      0.391584      7.359251
  H      -1.271564      4.811781      5.842533
  H      -0.805002      3.250683      5.156311
  H      -2.479830      3.743426      7.680690
  H      -0.839744      3.027264      7.647129
  H      -5.165598      1.540872      8.935010
  H      -4.412535      3.112825      8.608403
  H      -3.322080      0.295618      8.099101
  H      -2.538980      1.588044      9.054850
  C      -3.920130     -0.847741      4.167640
  C      -3.154185     -1.461658      2.981004
  C      -2.919953     -0.465380      1.864061
  O      -4.225519     -0.215223      1.262714
  C      -4.346542      0.514613      0.128044
  C      -5.310814      0.093374     -0.778347
  C      -5.532345      0.822020     -1.958949
  N      -4.882049      1.927741     -2.295943
  C      -3.949075      2.376470     -1.408887
  C      -3.254676      3.575417     -1.704019
  C      -2.324230      4.060938     -0.809979
  C      -2.093026      3.345208      0.384185
  N      -2.714429      2.219473      0.707173
  C      -3.627718      1.718088     -0.170421
  C      -3.569594      4.962650      4.853090
  C      -4.820095      4.840020      3.977888
  C      -4.471530      4.973131      2.501566
  O      -5.496590      4.488746      1.607296
  C      -6.613877      5.216125      1.445906
  C      -6.904216      6.417371      2.080995
  C      -8.144864      7.043362      1.843785
  N      -9.094589      6.584020      1.043806
  C      -8.811288      5.424912      0.376269
  C      -9.768897      4.901539     -0.525916
  C      -9.474210      3.757854     -1.234266
  C      -8.221980      3.135056     -1.032119
  N      -7.303414      3.571950     -0.185307
  C      -7.584474      4.699210      0.519859
  C      -6.512684      2.302499      6.779738
  C      -6.921373      3.774262      7.004911
  C      -8.200902      4.119807      6.260620
  O      -7.890646      3.977493      4.851614
  C      -8.893900      3.620468      4.009253
  C     -10.121072      4.263490      3.975120
  C     -11.086460      3.853611      3.034816
  N     -10.922278      2.860968      2.170159
  C      -9.725178      2.206415      2.203041
  C      -9.514303      1.111817      1.329070
  C      -8.310181      0.442760      1.367975
  C      -7.318237      0.866644      2.278865
  N      -7.468863      1.874648      3.128586
  C      -8.654468      2.546927      3.097232
  H      -4.236686     -1.662666      4.852449
  H      -4.843229     -0.384804      3.779652
  H      -2.175254     -1.835427      3.322390
  H      -3.707645     -2.330944      2.589371
  H      -2.262761     -0.879548      1.082093
  H      -2.494437      0.473849      2.234776
  H      -5.876309     -0.815761     -0.569928
  H      -6.282358      0.463969     -2.673004
  H      -3.490674      4.087281     -2.638483
  H      -1.774801      4.983128     -1.006745
  H      -1.368145      3.718846      1.115580
  H      -2.902030      5.741060      4.424651
  H      -3.870642      5.348475      5.851444
  H      -5.558327      5.593236      4.281624
  H      -5.313266      3.864658      4.147684
  H      -3.604425      4.343205      2.270085
  H      -4.230767      6.018905      2.243094
  H      -6.204193      6.884139      2.770525
  H      -8.364422      7.982516      2.363907
  H     -10.716757      5.430850     -0.636397
  H     -10.185376      3.331220     -1.943630
  H      -7.966187      2.231852     -1.594861
  H      -7.079208      1.651872      7.479283
  H      -6.817110      2.027708      5.757455
  H      -6.119781      4.419050      6.608651
  H      -7.036803      4.015516      8.073299
  H      -8.533583      5.149669      6.471874
  H      -9.020866      3.427405      6.515576
  H     -10.330065      5.089153      4.656226
  H     -12.046248      4.378706      2.991435
  H     -10.319986      0.830992      0.648845
  H      -8.107832     -0.399988      0.705658
  H      -6.356041      0.347030      2.308238
98
Coordinates from ORCA-job orca E -6374.092993921978
  N      -3.180612      0.158674      4.895177
  Mo     -3.871157      1.963893      5.358510
  N      -5.093994      2.069018      6.880009
  C      -4.522287      2.098686      8.230742
  C      -3.173025      1.389064      8.181765
  N      -2.443182      1.779331      6.929324
  C      -1.463424      0.732983      6.511620
  C      -2.196750     -0.404755      5.817636
  C      -1.790554      3.117390      7.084365
  C      -1.606834      3.743392      5.702989
  N      -2.864934      3.665065      4.955934
  H      -1.443954     -1.035735      5.306336
  H      -2.690805     -1.067923      6.561753
  H      -0.776596      1.210543      5.800676
  H      -0.879863      0.371918      7.378509
  H      -1.265825      4.787642      5.828250
  H      -0.803970      3.220242      5.153126
  H      -2.479205      3.741556      7.671298
  H      -0.843988      3.013933      7.646695
  H      -5.173030      1.571990      8.955609
  H      -4.410361      3.135243      8.610611
  H      -3.342715      0.305109      8.124814
  H      -2.547523      1.600244      9.066595
  C      -3.927092     -0.850308      4.161418
  C      -3.145940     -1.440066      2.972038
  C      -2.907198     -0.425327      1.872303
  O      -4.206708     -0.177484      1.257787
  C      -4.322245      0.553206      0.123323
  C      -5.295165      0.141971     -0.778749
  C      -5.513367      0.870749     -1.959501
  N      -4.850946      1.967652     -2.302103
  C      -3.907811      2.405659     -1.420773
  C      -3.198437      3.594220     -1.722681
  C      -2.256539      4.069506     -0.835078
  C      -2.028891      3.354002      0.359788
  N      -2.663831      2.237506      0.688944
  C      -3.588593      1.746131     -0.181999
  C      -3.559383      4.938815      4.825081
  C      -4.814449      4.803987      3.956923
  C      -4.474259      4.940854      2.479216
  O      -5.507831      4.467036      1.588967
  C      -6.621214      5.202489      1.437200
  C      -6.897492      6.405513      2.075267
  C      -8.136551      7.039466      1.851237
  N      -9.098076      6.585570      1.062342
  C      -8.828212      5.425748      0.390416
  C      -9.798625      4.908636     -0.501572
  C      -9.516713      3.766281     -1.217338
  C      -8.263989      3.138873     -1.032944
  N      -7.334315      3.568856     -0.194689
  C      -7.603161      4.693961      0.518472
  C      -6.524032      2.326406      6.802091
  C      -6.911679      3.809321      6.992388
  C      -8.189185      4.156994      6.245357
  O      -7.891502      3.950314      4.842469
  C      -8.903483      3.592375      4.015002
  C     -10.138444      4.221442      3.999271
  C     -11.108402      3.807139      3.065467
  N     -10.943654      2.821070      2.193546
  C      -9.741346      2.175304      2.214164
  C      -9.531689      1.081026      1.339510
  C      -8.324714      0.417201      1.370799
  C      -7.327774      0.846371      2.273913
  N      -7.476430      1.855327      3.122555
  C      -8.665130      2.522069      3.098508
  H      -4.244151     -1.677251      4.831252
  H      -4.850134     -0.387635      3.773043
  H      -2.167196     -1.810889      3.317426
  H      -3.688374     -2.307821      2.562177
  H      -2.236086     -0.821909      1.093131
  H      -2.493559      0.511377      2.261887
  H      -5.870529     -0.759911     -0.566133
  H      -6.270972      0.520272     -2.669262
  H      -3.432136      4.106485     -2.657532
  H      -1.695767      4.983650     -1.037424
  H      -1.296496      3.720371      1.087215
  H      -2.889101      5.703960      4.377616
  H      -3.852464      5.346803      5.816875
  H      -5.559510      5.548815      4.264326
  H      -5.298341      3.823622      4.128460
  H      -3.612194      4.307149      2.239276
  H      -4.228607      5.986494      2.224504
  H      -6.187175      6.868186      2.756983
  H      -8.344375      7.980119      2.373508
  H     -10.745477      5.442294     -0.599334
  H     -10.237881      3.345490     -1.920114
  H      -8.018070      2.237620     -1.603609
  H      -7.091826      1.700739      7.523066
  H      -6.840751      2.029047      5.790199
  H      -6.102136      4.430857      6.575758
  H      -7.017208      4.079894      8.054718
  H      -8.493989      5.202497      6.418085
  H      -9.024447      3.495854      6.531622
  H     -10.350270      5.040875      4.686853
  H     -12.073421      4.323532      3.034249
  H     -10.341537      0.794534      0.666672
  H      -8.124233     -0.426275      0.708858
  H      -6.363790      0.329879      2.298444
98
Coordinates from ORCA-job orca E -6374.093327551363
  N      -3.199116      0.149435      4.909068
  Mo     -3.886287      1.955439      5.368396
  N      -5.103826      2.079817      6.896106
  C      -4.523330      2.119855      8.243083
  C      -3.179432      1.400146      8.194652
  N      -2.452313      1.772737      6.935372
  C      -1.480911      0.716005      6.524525
  C      -2.224647     -0.419000      5.838333
  C      -1.790067      3.107595      7.075722
  C      -1.604347      3.719922      5.689007
  N      -2.863917      3.637881      4.945529
  H      -1.479093     -1.064021      5.334145
  H      -2.729269     -1.068775      6.587077
  H      -0.791135      1.183378      5.809599
  H      -0.899670      0.355920      7.393369
  H      -1.260220      4.764241      5.804597
  H      -0.803922      3.189655      5.142337
  H      -2.473689      3.742236      7.657327
  H      -0.843611      3.003211      7.638180
  H      -5.172794      1.605277      8.977906
  H      -4.401803      3.159427      8.611965
  H      -3.357271      0.316906      8.148928
  H      -2.548681      1.615024      9.074943
  C      -3.937903     -0.855523      4.161564
  C      -3.146009     -1.424114      2.968850
  C      -2.903702     -0.391912      1.885988
  O      -4.197445     -0.144075      1.259971
  C      -4.306023      0.590896      0.127909
  C      -5.284660      0.191956     -0.773813
  C      -5.496535      0.924456     -1.953040
  N      -4.821937      2.013996     -2.295863
  C      -3.871813      2.439137     -1.416065
  C      -3.147993      3.618933     -1.718537
  C      -2.198126      4.081873     -0.832842
  C      -1.976826      3.362794      0.360961
  N      -2.625028      2.254011      0.690601
  C      -3.557949      1.774815     -0.178190
  C      -3.550374      4.913173      4.788383
  C      -4.809809      4.763914      3.927631
  C      -4.478683      4.897305      2.447607
  O      -5.523300      4.433804      1.564560
  C      -6.631487      5.179252      1.422899
  C      -6.891300      6.383997      2.064706
  C      -8.126977      7.028877      1.853765
  N      -9.100512      6.583869      1.074683
  C      -8.846732      5.423170      0.397991
  C      -9.830469      4.915725     -0.484893
  C      -9.564487      3.773906     -1.207581
  C      -8.314028      3.137589     -1.039448
  N      -7.372667      3.557589     -0.209158
  C      -7.626035      4.681505      0.511505
  C      -6.532466      2.349410      6.827665
  C      -6.902158      3.841186      6.984444
  C      -8.177137      4.190585      6.233425
  O      -7.891758      3.927927      4.837924
  C      -8.909792      3.566726      4.022907
  C     -10.154525      4.176811      4.027513
  C     -11.127564      3.757364      3.099078
  N     -10.958590      2.782487      2.215778
  C      -9.748229      2.151319      2.220402
  C      -9.534285      1.064462      1.337538
  C      -8.320781      0.412524      1.355645
  C      -7.320805      0.846440      2.253226
  N      -7.472764      1.849833      3.107630
  C      -8.668050      2.504701      3.096503
  H      -4.253444     -1.692483      4.819356
  H      -4.862005     -0.393641      3.774759
  H      -2.167438     -1.793846      3.316179
  H      -3.679886     -2.289393      2.542912
  H      -2.220152     -0.771349      1.109224
  H      -2.500706      0.541393      2.294005
  H      -5.869819     -0.703620     -0.561550
  H      -6.259541      0.583568     -2.661627
  H      -3.377040      4.134488     -2.652749
  H      -1.626387      4.989020     -1.036033
  H      -1.238999      3.719772      1.087506
  H      -2.877255      5.662948      4.319884
  H      -3.835631      5.346219      5.771662
  H      -5.560727      5.502678      4.235317
  H      -5.285213      3.780192      4.105391
  H      -3.623903      4.256235      2.200801
  H      -4.225253      5.940959      2.192236
  H      -6.170205      6.840048      2.739600
  H      -8.321078      7.970891      2.378872
  H     -10.774351      5.456670     -0.570796
  H     -10.296506      3.360974     -1.903811
  H      -8.080908      2.237315     -1.617173
  H      -7.098738      1.747779      7.569933
  H      -6.862656      2.029746      5.827522
  H      -6.085487      4.441676      6.551297
  H      -7.000146      4.137890      8.040476
  H      -8.456553      5.248310      6.370817
  H      -9.025813      3.559145      6.546203
  H     -10.372276      4.986631      4.724411
  H     -12.099809      4.260812      3.082665
  H     -10.346695      0.773012      0.669945
  H      -8.117737     -0.425680      0.687796
  H      -6.351870      0.338728      2.268456
98
Coordinates from ORCA-job orca E -6374.093599872346
  N      -3.215819      0.142705      4.920378
  Mo     -3.901473      1.948897      5.377048
  N      -5.114252      2.089004      6.910606
  C      -4.525392      2.136552      8.253977
  C      -3.186329      1.408064      8.205083
  N      -2.462057      1.766894      6.940243
  C      -1.496932      0.702303      6.535209
  C      -2.248373     -0.430068      5.854176
  C      -1.791846      3.098849      7.069388
  C      -1.604986      3.701023      5.678868
  N      -2.865540      3.614574      4.938260
  H      -1.508654     -1.085189      5.354592
  H      -2.760596     -1.070170      6.606033
  H      -0.804290      1.161800      5.817872
  H      -0.918195      0.342650      7.405881
  H      -1.259804      4.745724      5.787349
  H      -0.805811      3.166426      5.134518
  H      -2.470759      3.741729      7.647464
  H      -0.845310      2.993112      7.631530
  H      -5.173264      1.632114      8.997328
  H      -4.395108      3.178209      8.614272
  H      -3.371408      0.325649      8.167550
  H      -2.550900      1.624785      9.081623
  C      -3.947130     -0.858947      4.160595
  C      -3.145612     -1.407818      2.964754
  C      -2.898344     -0.360544      1.897311
  O      -4.185707     -0.111405      1.259352
  C      -4.286197      0.626538      0.128724
  C      -5.271522      0.240514     -0.771605
  C      -5.476330      0.975379     -1.950224
  N      -4.787672      2.055430     -2.295384
  C      -3.829352      2.467013     -1.418421
  C      -3.089252      3.636055     -1.723762
  C      -2.130113      4.086036     -0.841397
  C      -1.915849      3.364870      0.352324
  N      -2.579289      2.265909      0.684717
  C      -3.521598      1.799307     -0.180574
  C      -3.546315      4.889948      4.757458
  C      -4.809358      4.725953      3.903172
  C      -4.486162      4.861514      2.421696
  O      -5.539175      4.407688      1.543443
  C      -6.642239      5.162302      1.409723
  C      -6.886681      6.369605      2.052891
  C      -8.118695      7.024681      1.852641
  N      -9.103136      6.586977      1.083324
  C      -8.864593      5.424247      0.404615
  C      -9.861032      4.924003     -0.468018
  C      -9.610599      3.780774     -1.194026
  C      -8.362605      3.136248     -1.039844
  N      -7.409987      3.548801     -0.218675
  C      -7.648334      4.673324      0.506062
  C      -6.541532      2.369495      6.852367
  C      -6.894762      3.868682      6.977839
  C      -8.167116      4.219496      6.222843
  O      -7.893865      3.905831      4.836197
  C      -8.917670      3.543202      4.032730
  C     -10.169691      4.138101      4.054552
  C     -11.146301      3.713589      3.131886
  N     -10.975552      2.746980      2.240231
  C      -9.758962      2.127535      2.231145
  C      -9.542652      1.045910      1.342443
  C      -8.323891      0.404011      1.348885
  C      -7.320375      0.842973      2.240159
  N      -7.474099      1.842560      3.098416
  C      -8.674712      2.487181      3.098741
  H      -4.259769     -1.705390      4.807321
  H      -4.872940     -0.398639      3.775962
  H      -2.167705     -1.777555      3.314186
  H      -3.672090     -2.270093      2.523843
  H      -2.203070     -0.725350      1.124118
  H      -2.504897      0.569138      2.322110
  H      -5.868054     -0.647145     -0.558128
  H      -6.245956      0.644888     -2.656458
  H      -3.313293      4.153847     -2.657951
  H      -1.545942      4.984628     -1.047167
  H      -1.171714      3.712092      1.076992
  H      -2.871673      5.626268      4.270458
  H      -3.825474      5.344674      5.732445
  H      -5.568152      5.455528      4.213177
  H      -5.273804      3.736818      4.083354
  H      -3.636388      4.216611      2.167737
  H      -4.227784      5.904558      2.168747
  H      -6.155777      6.820302      2.720777
  H      -8.299777      7.968816      2.378555
  H     -10.801841      5.471747     -0.543966
  H     -10.352976      3.373698     -1.882678
  H      -8.142299      2.235148     -1.621467
  H      -7.105012      1.790461      7.614372
  H      -6.885461      2.029397      5.864131
  H      -6.071582      4.449344      6.530272
  H      -6.985919      4.189449      8.027423
  H      -8.423020      5.286936      6.326469
  H      -9.027646      3.616908      6.559517
  H     -10.391460      4.940538      4.758502
  H     -12.124094      4.206490      3.128374
  H     -10.357828      0.749589      0.680415
  H      -8.119446     -0.430231      0.676510
  H      -6.347283      0.343033      2.246971
98
Coordinates from ORCA-job orca E -6374.093824782440
  N      -3.232245      0.136577      4.930066
  Mo     -3.916054      1.944003      5.382277
  N      -5.122716      2.099569      6.922618
  C      -4.524189      2.153790      8.261602
  C      -3.189831      1.417177      8.210723
  N      -2.469450      1.763533      6.940335
  C      -1.509729      0.692197      6.540614
  C      -2.267495     -0.438600      5.864845
  C      -1.791680      3.092682      7.058539
  C      -1.605986      3.685591      5.664363
  N      -2.868141      3.593645      4.928183
  H      -1.532971     -1.100339      5.366503
  H      -2.782903     -1.072054      6.620078
  H      -0.814805      1.144638      5.820920
  H      -0.932935      0.333748      7.412976
  H      -1.260781      4.730941      5.765611
  H      -0.808097      3.147571      5.121400
  H      -2.464760      3.743161      7.634901
  H      -0.844083      2.985166      7.618562
  H      -5.169440      1.658844      9.013660
  H      -4.385270      3.197217      8.613876
  H      -3.381712      0.335655      8.180376
  H      -2.549293      1.635109      9.083284
  C      -3.957830     -0.863290      4.161872
  C      -3.149272     -1.395624      2.963088
  C      -2.895337     -0.335112      1.910359
  O      -4.175613     -0.082272      1.260325
  C      -4.265494      0.660748      0.132405
  C      -5.255215      0.289869     -0.769747
  C      -5.449811      1.029623     -1.946632
  N      -4.745951      2.100455     -2.290185
  C      -3.781607      2.496157     -1.412846
  C      -3.024093      3.654484     -1.716768
  C      -2.057733      4.088956     -0.834480
  C      -1.853698      3.363139      0.358088
  N      -2.533821      2.274070      0.689476
  C      -3.483541      1.822606     -0.175609
  C      -3.543551      4.868172      4.721427
  C      -4.809236      4.688467      3.872742
  C      -4.493067      4.824794      2.389969
  O      -5.554905      4.380582      1.517426
  C      -6.652755      5.144428      1.393053
  C      -6.881078      6.353905      2.038162
  C      -8.109079      7.019662      1.849392
  N      -9.104724      6.590251      1.090043
  C      -8.882583      5.425309      0.409636
  C      -9.892555      4.932373     -0.451473
  C      -9.659531      3.786431     -1.178972
  C      -8.414990      3.132365     -1.038373
  N      -7.450106      3.537834     -0.228108
  C      -7.671561      4.664233      0.498821
  C      -6.549311      2.386946      6.876528
  C      -6.891510      3.891201      6.974381
  C      -8.161914      4.241115      6.215477
  O      -7.899806      3.885496      4.837558
  C      -8.928522      3.522248      4.043957
  C     -10.186554      4.103767      4.081392
  C     -11.166940      3.674326      3.164673
  N     -10.995630      2.715018      2.265736
  C      -9.773382      2.106666      2.243097
  C      -9.555182      1.030637      1.348103
  C      -8.331261      0.398977      1.341917
  C      -7.323859      0.842876      2.226426
  N      -7.479210      1.838000      3.089286
  C      -8.685012      2.472105      3.102142
  H      -4.265970     -1.717496      4.800272
  H      -4.886128     -0.405417      3.780323
  H      -2.172700     -1.767523      3.314177
  H      -3.670688     -2.253885      2.508553
  H      -2.188958     -0.687081      1.141509
  H      -2.510089      0.590303      2.351401
  H      -5.863886     -0.589913     -0.558426
  H      -6.224523      0.711631     -2.652888
  H      -3.240504      4.176492     -2.650385
  H      -1.460123      4.978770     -1.039629
  H      -1.104218      3.698068      1.082879
  H      -2.867087      5.590173      4.216128
  H      -3.817793      5.345301      5.686790
  H      -5.576286      5.408843      4.183710
  H      -5.262538      3.694132      4.055643
  H      -3.648663      4.175367      2.129634
  H      -4.228938      5.866743      2.138577
  H      -6.140061      6.798443      2.699004
  H      -8.276431      7.965644      2.376450
  H     -10.829631      5.487696     -0.517608
  H     -10.413123      3.384877     -1.858550
  H      -8.209139      2.229115     -1.622024
  H      -7.106341      1.827497      7.657487
  H      -6.907687      2.027565      5.900760
  H      -6.063555      4.456219      6.515854
  H      -6.978442      4.232087      8.017966
  H      -8.399035      5.315304      6.289502
  H      -9.031252      3.662981      6.571939
  H     -10.411454      4.899923      4.791265
  H     -12.149458      4.157687      3.173543
  H     -10.373179      0.729983      0.691556
  H      -8.125651     -0.430754      0.664339
  H      -6.346362      0.351498      2.223648
98
Coordinates from ORCA-job orca E -6374.094016129086
  N      -3.247999      0.131623      4.937932
  Mo     -3.929748      1.940672      5.386700
  N      -5.129618      2.110616      6.934126
  C      -4.521099      2.169621      8.268440
  C      -3.191485      1.425145      8.214063
  N      -2.475697      1.761078      6.938359
  C      -1.520535      0.684025      6.543088
  C      -2.283542     -0.445491      5.871519
  C      -1.790792      3.087517      7.046944
  C      -1.607602      3.673024      5.649611
  N      -2.871333      3.575108      4.917840
  H      -1.553448     -1.111131      5.372049
  H      -2.799387     -1.075155      6.629592
  H      -0.823295      1.130329      5.821733
  H      -0.945677      0.326735      7.417081
  H      -1.263646      4.719274      5.744770
  H      -0.810398      3.133115      5.107349
  H      -2.457424      3.744532      7.623327
  H      -0.841572      2.977546      7.603721
  H      -5.163319      1.683216      9.028688
  H      -4.373484      3.214228      8.614024
  H      -3.390096      0.344632      8.189043
  H      -2.545487      1.642803      9.082696
  C      -3.969742     -0.866888      4.163820
  C      -3.156728     -1.386655      2.962366
  C      -2.892790     -0.315390      1.923211
  O      -4.165391     -0.055154      1.261625
  C      -4.243588      0.693253      0.136734
  C      -5.239467      0.340031     -0.766026
  C      -5.423835      1.085238     -1.940714
  N      -4.703273      2.145309     -2.283219
  C      -3.731488      2.523046     -1.406434
  C      -2.955517      3.669486     -1.709319
  C      -1.980893      4.086870     -0.827877
  C      -1.786921      3.355863      0.363122
  N      -2.484486      2.277607      0.693714
  C      -3.442858      1.842842     -0.170413
  C      -3.542361      4.847962      4.686175
  C      -4.811255      4.652425      3.844260
  C      -4.503559      4.792886      2.360171
  O      -5.573663      4.358241      1.492971
  C      -6.666680      5.130355      1.377042
  C      -6.880489      6.342547      2.022184
  C      -8.104610      7.017775      1.842515
  N      -9.109870      6.595376      1.092078
  C      -8.902490      5.427563      0.412017
  C      -9.924149      4.940200     -0.438366
  C      -9.707007      3.790278     -1.164502
  C      -8.466148      3.127299     -1.034091
  N      -7.490605      3.527625     -0.234228
  C      -7.696754      4.657054      0.492128
  C      -6.555782      2.402292      6.900716
  C      -6.890988      3.909882      6.974421
  C      -8.160069      4.256040      6.211681
  O      -7.906548      3.866824      4.841902
  C      -8.938975      3.503833      4.055891
  C     -10.201635      4.074455      4.105482
  C     -11.185300      3.639700      3.194329
  N     -11.013947      2.685699      2.290269
  C      -9.786646      2.087574      2.255856
  C      -9.566222      1.016930      1.354991
  C      -8.337158      0.395907      1.336596
  C      -7.326321      0.845352      2.214479
  N      -7.483931      1.835775      3.082053
  C      -8.694877      2.458906      3.107061
  H      -4.273339     -1.727199      4.795982
  H      -4.900474     -0.411104      3.785655
  H      -2.182740     -1.764182      3.314847
  H      -3.676458     -2.239299      2.495474
  H      -2.176943     -0.658066      1.159179
  H      -2.512790      0.604857      2.379116
  H      -5.861908     -0.530313     -0.556186
  H      -6.205202      0.781825     -2.645878
  H      -3.164625      4.196287     -2.641877
  H      -1.369171      4.967094     -1.032589
  H      -1.031033      3.677134      1.087258
  H      -2.864908      5.555942      4.162905
  H      -3.811309      5.346565      5.641856
  H      -5.587204      5.361628      4.158447
  H      -5.251765      3.651948      4.028287
  H      -3.663791      4.140640      2.092022
  H      -4.235062      5.834417      2.111864
  H      -6.130660      6.782239      2.676235
  H      -8.259529      7.965988      2.369260
  H     -10.857452      5.502576     -0.497336
  H     -10.470521      3.392519     -1.835069
  H      -8.273563      2.220712     -1.617126
  H      -7.104645      1.859515      7.698820
  H      -6.928122      2.025540      5.937097
  H      -6.059770      4.463028      6.507438
  H      -6.975921      4.267703      8.012504
  H      -8.384178      5.334434      6.260366
  H      -9.035054      3.696651      6.583841
  H     -10.429258      4.866244      4.819213
  H     -12.171641      4.114915      3.213630
  H     -10.386518      0.712084      0.703272
  H      -8.129876     -0.429046      0.653712
  H      -6.344164      0.363539      2.201882
98
Coordinates from ORCA-job orca E -6374.094187924637
  N      -3.267554      0.126913      4.942389
  Mo     -3.944215      1.938994      5.387393
  N      -5.134286      2.125093      6.943679
  C      -4.513426      2.188324      8.272030
  C      -3.189549      1.434505      8.212044
  N      -2.480057      1.759437      6.930085
  C      -1.530853      0.675956      6.537905
  C      -2.300576     -0.452142      5.871795
  C      -1.786548      3.082442      7.027860
  C      -1.608366      3.660463      5.626953
  N      -2.874991      3.557189      4.902026
  H      -1.575732     -1.120553      5.368581
  H      -2.814214     -1.079211      6.633481
  H      -0.831953      1.115501      5.813943
  H      -0.956954      0.319777      7.412824
  H      -1.265015      4.707416      5.715153
  H      -0.813082      3.118074      5.084132
  H      -2.444482      3.746563      7.606012
  H      -0.834483      2.968757      7.578948
  H      -5.151791      1.711315      9.041466
  H      -4.355411      3.233904      8.610419
  H      -3.396106      0.355303      8.192501
  H      -2.536506      1.651019      9.075711
  C      -3.988546     -0.870008      4.165104
  C      -3.173398     -1.381158      2.961300
  C      -2.894537     -0.299746      1.936880
  O      -4.157799     -0.026331      1.263378
  C      -4.220241      0.732008      0.144527
  C      -5.219856      0.401923     -0.763143
  C      -5.389639      1.158095     -1.932632
  N      -4.650378      2.207905     -2.267029
  C      -3.673727      2.562458     -1.386193
  C      -2.877277      3.697152     -1.680446
  C      -1.896752      4.091969     -0.795122
  C      -1.717181      3.350062      0.391314
  N      -2.434081      2.282126      0.714014
  C      -3.398854      1.869488     -0.153970
  C      -3.539979      4.828186      4.642416
  C      -4.811964      4.617201      3.807506
  C      -4.512595      4.756491      2.321737
  O      -5.591962      4.329823      1.462433
  C      -6.680090      5.109988      1.355576
  C      -6.878871      6.324903      2.000469
  C      -8.099196      7.009359      1.830505
  N      -9.114449      6.593740      1.089881
  C      -8.922667      5.422537      0.411149
  C      -9.956698      4.940021     -0.426954
  C      -9.756660      3.784784     -1.149579
  C      -8.520089      3.112208     -1.028746
  N      -7.532989      3.508489     -0.241269
  C      -7.722492      4.642481      0.482128
  C      -6.560121      2.419907      6.925164
  C      -6.890854      3.929765      6.975425
  C      -8.159599      4.269251      6.209220
  O      -7.914326      3.848695      4.847701
  C      -8.950869      3.486141      4.069091
  C     -10.216294      4.049741      4.128694
  C     -11.204447      3.609575      3.224571
  N     -11.035767      2.657626      2.318352
  C      -9.804891      2.067003      2.273188
  C      -9.584853      0.999565      1.368474
  C      -8.351768      0.387262      1.337943
  C      -7.336171      0.842470      2.207393
  N      -7.493852      1.829802      3.078280
  C      -8.708751      2.443862      3.115429
  H      -4.288838     -1.734495      4.792997
  H      -4.920982     -0.414900      3.790350
  H      -2.203929     -1.769246      3.314990
  H      -3.695327     -2.225384      2.481730
  H      -2.170040     -0.635224      1.178057
  H      -2.516819      0.613299      2.408813
  H      -5.857639     -0.458847     -0.560461
  H      -6.175785      0.873711     -2.640245
  H      -3.075673      4.233276     -2.610001
  H      -1.269458      4.962595     -0.993480
  H      -0.956560      3.653071      1.118228
  H      -2.860296      5.519412      4.100166
  H      -3.802992      5.350728      5.586629
  H      -5.595447      5.317591      4.122573
  H      -5.241549      3.612241      3.995279
  H      -3.678549      4.099307      2.047533
  H      -4.238239      5.796334      2.072956
  H      -6.119930      6.759745      2.647273
  H      -8.241459      7.959799      2.356715
  H     -10.885906      5.509755     -0.479074
  H     -10.530683      3.389985     -1.809653
  H      -8.341906      2.200783     -1.608804
  H      -7.098245      1.893235      7.740942
  H      -6.947932      2.025845      5.974892
  H      -6.057633      4.472850      6.500350
  H      -6.974763      4.303724      8.007906
  H      -8.373982      5.350425      6.233543
  H      -9.038178      3.725927      6.596349
  H     -10.444440      4.839956      4.843871
  H     -12.193219      4.079267      3.253078
  H     -10.408394      0.690749      0.722731
  H      -8.144782     -0.434526      0.651123
  H      -6.350036      0.369239      2.184623
98
Coordinates from ORCA-job orca E -6374.094347073261
  N      -3.287608      0.122880      4.944634
  Mo     -3.958292      1.938178      5.387265
  N      -5.137237      2.139696      6.952870
  C      -4.503523      2.206091      8.274885
  C      -3.185527      1.442917      8.207969
  N      -2.483392      1.757953      6.919506
  C      -1.540274      0.668385      6.529044
  C      -2.317158     -0.458257      5.868804
  C      -1.781529      3.077528      7.006718
  C      -1.609917      3.649301      5.602499
  N      -2.879883      3.541095      4.885088
  H      -1.597695     -1.128892      5.360995
  H      -2.827496     -1.083458      6.634241
  H      -0.840375      1.101430      5.802074
  H      -0.966483      0.313156      7.404286
  H      -1.267603      4.697007      5.684526
  H      -0.816634      3.105282      5.058112
  H      -2.430210      3.748066      7.587836
  H      -0.826040      2.959820      7.550936
  H      -5.137617      1.738032      9.053326
  H      -4.334864      3.252287      8.606560
  H      -3.400101      0.365136      8.193160
  H      -2.524772      1.657495      9.066271
  C      -4.010036     -0.872145      4.165977
  C      -3.195181     -1.379140      2.960044
  C      -2.897812     -0.290199      1.949069
  O      -4.151316      0.001334      1.265416
  C      -4.196887      0.770641      0.153631
  C      -5.202194      0.468003     -0.757575
  C      -5.356751      1.236766     -1.920617
  N      -4.596690      2.274328     -2.246639
  C      -3.613680      2.602006     -1.362660
  C      -2.795310      3.723583     -1.647424
  C      -1.807878      4.092727     -0.758681
  C      -1.643114      3.338080      0.421835
  N      -2.380389      2.281408      0.735609
  C      -3.352673      1.893930     -0.135835
  C      -3.539354      4.810020      4.600392
  C      -4.815399      4.585533      3.773927
  C      -4.526099      4.726413      2.286373
  O      -5.613770      4.306115      1.434761
  C      -6.697928      5.092633      1.335223
  C      -6.884143      6.310697      1.978019
  C      -8.101357      7.002398      1.815315
  N      -9.124820      6.591405      1.083486
  C      -8.946046      5.416471      0.407701
  C      -9.990131      4.936928     -0.419604
  C      -9.804335      3.776181     -1.137246
  C      -8.571591      3.095588     -1.022890
  N      -7.575046      3.489641     -0.246400
  C      -7.750654      4.628563      0.472436
  C      -6.562484      2.437696      6.949128
  C      -6.889829      3.949166      6.977138
  C      -8.158604      4.280279      6.207519
  O      -7.919891      3.831456      4.854176
  C      -8.960012      3.469243      4.081865
  C     -10.227396      4.027577      4.149360
  C     -11.219862      3.581720      3.252321
  N     -11.054145      2.630088      2.345644
  C      -9.820229      2.046027      2.291114
  C      -9.600825      0.980812      1.383665
  C      -8.363979      0.376958      1.341680
  C      -7.343814      0.838566      2.202426
  N      -7.501441      1.823360      3.076082
  C      -8.720009      2.428660      3.124661
  H      -4.308706     -1.739038      4.791254
  H      -4.943254     -0.416166      3.794336
  H      -2.231759     -1.781569      3.314461
  H      -3.723072     -2.213087      2.469130
  H      -2.167354     -0.622826      1.194914
  H      -2.517988      0.614383      2.435286
  H      -5.857551     -0.381022     -0.561860
  H      -6.149242      0.974758     -2.629646
  H      -2.982989      4.270697     -2.572784
  H      -1.164051      4.952806     -0.949874
  H      -0.877202      3.620545      1.151313
  H      -2.858128      5.485020      4.040044
  H      -3.795157      5.354749      5.533762
  H      -5.605772      5.276530      4.092329
  H      -5.233825      3.575902      3.963995
  H      -3.696379      4.066686      2.005127
  H      -4.248388      5.765445      2.038054
  H      -6.117624      6.742540      2.617895
  H      -8.233103      7.955373      2.339626
  H     -10.915745      5.512849     -0.467270
  H     -10.586884      3.382961     -1.788072
  H      -8.405459      2.179066     -1.598483
  H      -7.089768      1.926336      7.781355
  H      -6.965321      2.027634      6.012116
  H      -6.055321      4.483472      6.494462
  H      -6.973263      4.338371      8.004033
  H      -8.366397      5.362998      6.209301
  H      -9.039304      3.750211      6.607952
  H     -10.455681      4.817385      4.864854
  H     -12.210517      4.046949      3.288619
  H     -10.427553      0.667688      0.744064
  H      -8.157348     -0.442272      0.651615
  H      -6.353851      0.374064      2.169535
98
Coordinates from ORCA-job orca E -6374.094507067450
  N      -3.309015      0.118014      4.945185
  Mo     -3.972432      1.937131      5.384562
  N      -5.138441      2.155250      6.960192
  C      -4.490746      2.225473      8.275097
  C      -3.178956      1.452615      8.200682
  N      -2.485332      1.756836      6.905044
  C      -1.549059      0.660786      6.515813
  C      -2.334056     -0.464702      5.863261
  C      -1.774879      3.072753      6.980119
  C      -1.611377      3.637422      5.572139
  N      -2.885533      3.524569      4.863901
  H      -1.620613     -1.137913      5.350529
  H      -2.840212     -1.087496      6.633420
  H      -0.849134      1.086746      5.784636
  H      -0.974254      0.307005      7.390846
  H      -1.269614      4.685760      5.646992
  H      -0.820961      3.091109      5.025606
  H      -2.413453      3.750126      7.564420
  H      -0.815404      2.951093      7.516327
  H      -5.119901      1.767048      9.063237
  H      -4.310990      3.272377      8.598999
  H      -3.401719      0.376374      8.191616
  H      -2.509738      1.665689      9.052809
  C      -4.034259     -0.875377      4.166880
  C      -3.220662     -1.380500      2.959130
  C      -2.902825     -0.284820      1.961897
  O      -4.145934      0.027720      1.268947
  C      -4.173294      0.810915      0.166623
  C      -5.182574      0.538951     -0.750064
  C      -5.320234      1.324022     -1.903995
  N      -4.539306      2.350043     -2.217174
  C      -3.551658      2.647725     -1.327952
  C      -2.711618      3.756978     -1.598066
  C      -1.719339      4.097476     -0.703267
  C      -1.571191      3.326233      0.468669
  N      -2.328601      2.279877      0.768628
  C      -3.306396      1.920551     -0.108902
  C      -3.538835      4.791082      4.553493
  C      -4.819019      4.554259      3.735781
  C      -4.539961      4.694999      2.246300
  O      -5.636122      4.279883      1.403452
  C      -6.716611      5.072269      1.311760
  C      -6.890358      6.292988      1.953069
  C      -8.104680      6.991578      1.798484
  N      -9.136497      6.585202      1.075892
  C      -8.970799      5.406905      0.402687
  C     -10.025190      4.930432     -0.413295
  C      -9.853781      3.764517     -1.126183
  C      -8.624845      3.076056     -1.018920
  N      -7.618550      3.467840     -0.254049
  C      -7.779996      4.611510      0.460299
  C      -6.562808      2.457014      6.971896
  C      -6.886839      3.969742      6.977235
  C      -8.155930      4.291949      6.204469
  O      -7.924092      3.814747      4.859880
  C      -8.968102      3.452843      4.094059
  C     -10.236773      4.007314      4.169156
  C     -11.234078      3.556172      3.279768
  N     -11.072347      2.603938      2.373386
  C      -9.836139      2.025121      2.309748
  C      -9.618713      0.961224      1.400328
  C      -8.378899      0.364458      1.347127
  C      -7.353698      0.832002      2.198655
  N      -7.509975      1.815033      3.074471
  C      -8.731390      2.412980      3.134226
  H      -4.332208     -1.743466      4.790806
  H      -4.967783     -0.417935      3.797987
  H      -2.264329     -1.799211      3.314076
  H      -3.756146     -2.202916      2.457113
  H      -2.167472     -0.616021      1.212050
  H      -2.519014      0.610158      2.462466
  H      -5.855640     -0.298413     -0.564799
  H      -6.117705      1.086990     -2.616074
  H      -2.887191      4.318114     -2.517378
  H      -1.059245      4.947570     -0.883255
  H      -0.801617      3.585657      1.202690
  H      -2.855646      5.448613      3.975139
  H      -3.786787      5.358450      5.475222
  H      -5.615149      5.237251      4.057048
  H      -5.227502      3.540832      3.928765
  H      -3.714523      4.032540      1.958647
  H      -4.259172      5.732957      1.997099
  H      -6.116185      6.721658      2.585897
  H      -8.226077      7.946698      2.321349
  H     -10.947276      5.512357     -0.455930
  H     -10.644927      3.373021     -1.767518
  H      -8.470836      2.154668     -1.590075
  H      -7.078539      1.961675      7.820695
  H      -6.981200      2.031028      6.049076
  H      -6.051296      4.495034      6.486591
  H      -6.969517      4.374454      7.998194
  H      -8.357546      5.375622      6.183633
  H      -9.038406      3.775243      6.618239
  H     -10.464199      4.797419      4.884505
  H     -12.226039      4.018014      3.323535
  H     -10.449072      0.644110      0.767389
  H      -8.173693     -0.453085      0.654534
  H      -6.360616      0.375089      2.155793
98
Coordinates from ORCA-job orca E -6374.094661296735
  N      -3.329150      0.112880      4.945792
  Mo     -3.985665      1.935919      5.380817
  N      -5.138804      2.170630      6.965965
  C      -4.477497      2.245220      8.273723
  C      -3.171674      1.463255      8.192395
  N      -2.486602      1.756538      6.889722
  C      -1.556816      0.654240      6.502138
  C      -2.349627     -0.470628      5.858123
  C      -1.768264      3.068968      6.952264
  C      -1.613127      3.626257      5.540527
  N      -2.891423      3.508518      4.841583
  H      -1.642091     -1.146639      5.341032
  H      -2.851445     -1.090573      6.633399
  H      -0.857260      1.073016      5.766416
  H      -0.980648      0.302548      7.376996
  H      -1.272198      4.675287      5.608057
  H      -0.825474      3.077759      4.991921
  H      -2.397046      3.752998      7.539351
  H      -0.804883      2.943880      7.480553
  H      -5.101533      1.796409      9.071424
  H      -4.287255      3.292893      8.589413
  H      -3.402072      0.388534      8.189498
  H      -2.494274      1.675378      9.038300
  C      -4.057106     -0.879569      4.168635
  C      -3.244818     -1.384230      2.959619
  C      -2.906868     -0.283281      1.975028
  O      -4.139692      0.049667      1.273500
  C      -4.149469      0.846604      0.181088
  C      -5.162332      0.605457     -0.740438
  C      -5.283833      1.407252     -1.884361
  N      -4.483074      2.421926     -2.184407
  C      -3.491119      2.689405     -1.290581
  C      -2.630777      3.786800     -1.545403
  C      -1.634438      4.098786     -0.644705
  C      -1.502250      3.310515      0.517740
  N      -2.278390      2.273923      0.803136
  C      -3.260987      1.942707     -0.080251
  C      -3.539185      4.772064      4.506743
  C      -4.823407      4.523736      3.697768
  C      -4.554949      4.667589      2.206640
  O      -5.658987      4.258021      1.371689
  C      -6.736558      5.055300      1.289087
  C      -6.898941      6.277470      1.930665
  C      -8.111004      6.981950      1.785480
  N      -9.150869      6.580219      1.071919
  C      -8.997232      5.399786      0.399655
  C     -10.061609      4.926559     -0.405236
  C      -9.903603      3.756825     -1.115018
  C      -8.677821      3.061646     -1.016241
  N      -7.662035      3.451017     -0.262877
  C      -7.810243      4.598116      0.448602
  C      -6.562106      2.476125      6.992525
  C      -6.883479      3.989616      6.975602
  C      -8.153114      4.302561      6.200044
  O      -7.927896      3.798423      4.864370
  C      -8.975445      3.436553      4.104680
  C     -10.245629      3.986474      4.187499
  C     -11.247282      3.530167      3.305295
  N     -11.088812      2.578000      2.398633
  C      -9.850138      2.005053      2.325787
  C      -9.634036      0.943146      1.413785
  C      -8.391139      0.354012      1.349322
  C      -7.361468      0.827327      2.192245
  N      -7.516967      1.807991      3.070791
  C      -8.741328      2.398104      3.141726
  H      -4.354559     -1.748154      4.792081
  H      -4.990822     -0.420949      3.801867
  H      -2.295721     -1.818686      3.315225
  H      -3.787782     -2.195494      2.447600
  H      -2.167177     -0.614091      1.229438
  H      -2.518885      0.602369      2.488700
  H      -5.852421     -0.220168     -0.565675
  H      -6.086032      1.195442     -2.598918
  H      -2.794782      4.362310     -2.457929
  H      -0.959200      4.939322     -0.812937
  H      -0.729583      3.546909      1.256107
  H      -2.854460      5.412702      3.911565
  H      -3.779434      5.360596      5.416984
  H      -5.625441      5.197604      4.023539
  H      -5.221200      3.505968      3.891541
  H      -3.732993      4.004052      1.911358
  H      -4.272467      5.705311      1.958519
  H      -6.117473      6.702787      2.556811
  H      -8.222908      7.938266      2.308235
  H     -10.980724      5.513565     -0.441671
  H     -10.703022      3.367270     -1.747137
  H      -8.535125      2.136487     -1.584206
  H      -7.066272      1.996703      7.857087
  H      -6.995341      2.034728      6.084115
  H      -6.047231      4.506319      6.477177
  H      -6.965401      4.409380      7.990536
  H      -8.349395      5.386565      6.157461
  H      -9.036923      3.798592      6.626498
  H     -10.472682      4.776253      4.903232
  H     -12.240715      3.988095      3.356589
  H     -10.467684      0.622040      0.787175
  H      -8.186870     -0.461353      0.653796
  H      -6.365295      0.378252      2.139524
98
Coordinates from ORCA-job orca E -6374.094825190023
  N      -3.349041      0.107972      4.946229
  Mo     -3.998126      1.935498      5.375705
  N      -5.138394      2.187556      6.969851
  C      -4.463728      2.266690      8.270342
  C      -3.164121      1.475377      8.182628
  N      -2.487434      1.757277      6.873112
  C      -1.564209      0.648516      6.487765
  C      -2.364889     -0.475933      5.852885
  C      -1.761202      3.066012      6.922860
  C      -1.614396      3.615687      5.507409
  N      -2.896690      3.493131      4.817725
  H      -1.663361     -1.154902      5.331626
  H      -2.862118     -1.092777      6.633566
  H      -0.864979      1.059672      5.747399
  H      -0.986752      0.299345      7.362644
  H      -1.274369      4.665377      5.567550
  H      -0.829454      3.064950      4.956877
  H      -2.380053      3.756801      7.512499
  H      -0.794051      2.937370      7.443257
  H      -5.082673      1.827905      9.077535
  H      -4.262930      3.315069      8.577369
  H      -3.402269      0.402301      8.186153
  H      -2.478705      1.686561      9.022306
  C      -4.079967     -0.884040      4.171053
  C      -3.269352     -1.390344      2.961424
  C      -2.910835     -0.286039      1.988164
  O      -4.133000      0.066482      1.277731
  C      -4.124987      0.877227      0.195861
  C      -5.139891      0.666713     -0.731091
  C      -5.244766      1.485538     -1.864272
  N      -4.425003      2.489206     -2.149985
  C      -3.430202      2.726559     -1.251004
  C      -2.550577      3.812515     -1.489071
  C      -1.551886      4.096219     -0.581617
  C      -1.436299      3.290673      0.570667
  N      -2.230204      2.263390      0.840076
  C      -3.215922      1.960101     -0.050015
  C      -3.538872      4.753336      4.458847
  C      -4.827119      4.494329      3.658744
  C      -4.570065      4.645426      2.166367
  O      -5.681714      4.242048      1.338880
  C      -6.757561      5.042672      1.268062
  C      -6.910053      6.264541      1.912650
  C      -8.120947      6.973311      1.779153
  N      -9.168621      6.576195      1.074537
  C      -9.025751      5.395245      0.400880
  C     -10.099925      4.925123     -0.392791
  C      -9.954188      3.753043     -1.101375
  C      -8.730575      3.052786     -1.013199
  N      -7.705360      3.440024     -0.271747
  C      -7.841438      4.589075      0.438717
  C      -6.560480      2.496472      7.010687
  C      -6.880296      4.010126      6.971365
  C      -8.150956      4.312580      6.193506
  O      -7.932184      3.782579      4.866951
  C      -8.983040      3.419776      4.113555
  C     -10.255226      3.963744      4.204473
  C     -11.260858      3.501250      3.329681
  N     -11.104790      2.549561      2.422484
  C      -9.863072      1.984060      2.339834
  C      -9.647192      0.924938      1.424605
  C      -8.400632      0.345089      1.348196
  C      -7.367010      0.825009      2.182534
  N      -7.522757      1.802609      3.064367
  C      -8.750603      2.383311      3.147095
  H      -4.377297     -1.752211      4.795115
  H      -5.013656     -0.424295      3.805804
  H      -2.327961     -1.840534      3.318056
  H      -3.820084     -2.190651      2.440556
  H      -2.166878     -0.617810      1.247422
  H      -2.518752      0.590769      2.513678
  H      -5.846251     -0.147336     -0.567775
  H      -6.050472      1.298912     -2.581716
  H      -2.702482      4.402585     -2.394338
  H      -0.862383      4.927575     -0.736926
  H      -0.661833      3.504143      1.313936
  H      -2.852686      5.376963      3.847572
  H      -3.771348      5.362265      5.357428
  H      -5.635468      5.157320      3.991118
  H      -5.212967      3.471381      3.850561
  H      -3.750919      3.982681      1.861475
  H      -4.287365      5.683876      1.921789
  H      -6.121623      6.686317      2.532471
  H      -8.224470      7.929479      2.303829
  H     -11.016917      5.515837     -0.421239
  H     -10.761753      3.365270     -1.724064
  H      -8.598271      2.124998     -1.579339
  H      -7.052766      2.033067      7.890504
  H      -7.007956      2.039637      6.117125
  H      -6.043878      4.518837      6.465167
  H      -6.961660      4.444797      7.980048
  H      -8.343281      5.396229      6.129623
  H      -9.035318      3.820449      6.632456
  H     -10.482610      4.752869      4.920712
  H     -12.256172      3.954113      3.388898
  H     -10.483796      0.599135      0.804372
  H      -8.196517     -0.467487      0.649299
  H      -6.367382      0.384994      2.119585
98
Coordinates from ORCA-job orca E -6374.094981878321
  N      -3.368604      0.103173      4.946514
  Mo     -4.010329      1.935136      5.370247
  N      -5.137670      2.204638      6.973085
  C      -4.449783      2.288252      8.266195
  C      -3.156498      1.487595      8.172371
  N      -2.488205      1.758044      6.856176
  C      -1.571489      0.642880      6.473254
  C      -2.379909     -0.481117      5.847546
  C      -1.754186      3.062953      6.893075
  C      -1.615678      3.604895      5.473979
  N      -2.901890      3.477600      4.793565
  H      -1.684396     -1.163051      5.322238
  H      -2.872548     -1.094835      6.633576
  H      -0.872610      1.046380      5.728310
  H      -0.992769      0.296297      7.348189
  H      -1.276562      4.655198      5.526661
  H      -0.833459      3.051830      4.921626
  H      -2.363044      3.760527      7.485045
  H      -0.783400      2.930694      7.405646
  H      -5.063538      1.859575      9.082733
  H      -4.238524      3.337222      8.564404
  H      -3.402348      0.416251      8.182431
  H      -2.463197      1.697814      9.005813
  C      -4.102364     -0.888535      4.173377
  C      -3.293175     -1.396239      2.963239
  C      -2.914529     -0.288592      2.001721
  O      -4.125951      0.082884      1.282686
  C      -4.100676      0.907306      0.211826
  C      -5.116869      0.726895     -0.720223
  C      -5.205576      1.562581     -1.842146
  N      -4.367953      2.555577     -2.113297
  C      -3.371095      2.763331     -1.209456
  C      -2.473438      3.838224     -1.430466
  C      -1.473210      4.094189     -0.516449
  C      -1.373807      3.271516      0.625151
  N      -2.184301      2.253192      0.878253
  C      -3.172305      1.977314     -0.018347
  C      -3.538562      4.733888      4.410506
  C      -4.830758      4.464339      3.619379
  C      -4.585131      4.622454      2.125812
  O      -5.704423      4.225426      1.305885
  C      -6.778232      5.029655      1.246868
  C      -6.920362      6.251203      1.894449
  C      -8.129734      6.964654      1.772798
  N      -9.185312      6.572562      1.077294
  C      -9.053682      5.391137      0.402258
  C     -10.137793      4.924599     -0.379986
  C     -10.004814      3.750248     -1.087349
  C      -8.783727      3.044497     -1.009977
  N      -7.748970      3.429128     -0.280647
  C      -7.872423      4.580071      0.428814
  C      -6.558357      2.517115      7.028090
  C      -6.876975      4.030522      6.966364
  C      -8.148693      4.322312      6.186328
  O      -7.936288      3.766788      4.869347
  C      -8.990232      3.403098      4.121960
  C     -10.264359      3.941099      4.220770
  C     -11.273682      3.472551      3.353113
  N     -11.119819      2.521468      2.445291
  C      -9.875168      1.963431      2.353005
  C      -9.659386      0.907255      1.434415
  C      -8.409333      0.336714      1.346205
  C      -7.372050      0.823111      2.172238
  N      -7.528158      1.797482      3.057501
  C      -8.759315      2.368752      3.151887
  H      -4.399479     -1.756297      4.798094
  H      -5.036082     -0.427883      3.809525
  H      -2.359604     -1.861804      3.320804
  H      -3.851123     -2.185575      2.433410
  H      -2.166161     -0.620918      1.265849
  H      -2.519000      0.579312      2.539219
  H      -5.838508     -0.075838     -0.568492
  H      -6.014137      1.400728     -2.562208
  H      -2.613530      4.442712     -2.328066
  H      -0.770410      4.916684     -0.658584
  H      -0.598234      3.462477      1.373167
  H      -2.851022      5.340085      3.783489
  H      -3.763254      5.363007      5.296887
  H      -5.645103      5.116542      3.958349
  H      -5.204839      3.436456      3.809232
  H      -3.768987      3.960331      1.811381
  H      -4.301958      5.661525      1.884669
  H      -6.124846      6.669127      2.507832
  H      -8.224493      7.920642      2.299382
  H     -11.052372      5.519332     -0.400301
  H     -10.820630      3.364627     -1.700440
  H      -8.662223      2.114146     -1.574281
  H      -7.038533      2.069941      7.922690
  H      -7.019818      2.045121      6.149878
  H      -6.040491      4.531317      6.452539
  H      -6.957887      4.479948      7.968596
  H      -8.337236      5.405149      6.101205
  H      -9.033509      3.842138      6.637434
  H     -10.492230      4.729451      4.937593
  H     -12.270798      3.920346      3.420103
  H     -10.498744      0.576861      0.820338
  H      -8.205299     -0.472946      0.643839
  H      -6.369130      0.392196      2.099172
98
Coordinates from ORCA-job orca E -6374.095119956954
  N      -3.387915      0.099566      4.944269
  Mo     -4.022006      1.936351      5.362427
  N      -5.136158      2.222734      6.973880
  C      -4.434973      2.309374      8.259366
  C      -3.148344      1.499180      8.158804
  N      -2.488470      1.759424      6.836388
  C      -1.577934      0.638368      6.455378
  C      -2.393650     -0.485122      5.838331
  C      -1.746766      3.060360      6.861577
  C      -1.617032      3.596108      5.439478
  N      -2.907039      3.464186      4.768478
  H      -1.704016     -1.168839      5.307745
  H      -2.880430     -1.097034      6.629386
  H      -0.879339      1.034738      5.706313
  H      -0.998053      0.294234      7.330312
  H      -1.279510      4.647111      5.485819
  H      -0.837265      3.041747      4.884645
  H      -2.345206      3.764037      7.456824
  H      -0.772296      2.923695      7.365788
  H      -5.043444      1.890406      9.084824
  H      -4.212946      3.358478      8.549486
  H      -3.402094      0.429706      8.174214
  H      -2.447205      1.707307      8.986181
  C      -4.125827     -0.892115      4.174796
  C      -3.319936     -1.403717      2.963948
  C      -2.919791     -0.294715      2.013189
  O      -4.119798      0.097038      1.286004
  C      -4.075886      0.936041      0.227621
  C      -5.092134      0.787811     -0.710192
  C      -5.162957      1.641626     -1.819313
  N      -4.307276      2.623726     -2.073488
  C      -3.309821      2.800028     -1.163785
  C      -2.394314      3.863881     -1.364623
  C      -1.394139      4.090420     -0.442722
  C      -1.312194      3.248736      0.686291
  N      -2.139064      2.239109      0.920099
  C      -3.127941      1.992549      0.015665
  C      -3.538293      4.716230      4.361731
  C      -4.834497      4.437175      3.579703
  C      -4.600409      4.602556      2.085145
  O      -5.727085      4.210972      1.273224
  C      -6.799037      5.018213      1.225632
  C      -6.931259      6.239921      1.874975
  C      -8.139185      6.957533      1.764211
  N      -9.202290      6.569608      1.077997
  C      -9.081554      5.386905      0.403262
  C     -10.175218      4.922711     -0.366997
  C     -10.054825      3.744904     -1.070828
  C      -8.836476      3.033673     -1.002512
  N      -7.792425      3.417057     -0.286100
  C      -7.903414      4.571162      0.419910
  C      -6.555305      2.538225      7.043211
  C      -6.874077      4.050805      6.960658
  C      -8.147298      4.330692      6.179058
  O      -7.940664      3.751778      4.871383
  C      -8.997720      3.387277      4.129970
  C     -10.273241      3.920581      4.235436
  C     -11.286497      3.444969      3.375841
  N     -11.135537      2.492680      2.469228
  C      -9.888258      1.941529      2.367916
  C      -9.672976      0.887205      1.447169
  C      -8.419584      0.326052      1.347153
  C      -7.378438      0.820015      2.163800
  N      -7.534613      1.791908      3.051674
  C      -8.768900      2.353686      3.157611
  H      -4.422646     -1.758485      4.801560
  H      -5.059626     -0.430290      3.812883
  H      -2.395118     -1.886177      3.321921
  H      -3.886799     -2.181271      2.426236
  H      -2.167841     -0.629473      1.282290
  H      -2.519643      0.564048      2.561801
  H      -5.829343     -0.002958     -0.571747
  H      -5.973319      1.506120     -2.542553
  H      -2.521478      4.484271     -2.253202
  H      -0.678256      4.904054     -0.569277
  H      -0.536597      3.415672      1.439855
  H      -2.849370      5.304787      3.719650
  H      -3.755067      5.364910      5.235686
  H      -5.654338      5.078764      3.925611
  H      -5.197389      3.404632      3.767124
  H      -3.786967      3.941673      1.761228
  H      -4.317247      5.642313      1.847329
  H      -6.128974      6.654778      2.481594
  H      -8.225486      7.913788      2.291626
  H     -11.087300      5.521372     -0.380454
  H     -10.878642      3.360357     -1.673644
  H      -8.725730      2.099656     -1.562817
  H      -7.022575      2.106332      7.951809
  H      -7.030702      2.051969      6.180417
  H      -6.038060      4.545176      6.440034
  H      -6.955359      4.513791      7.956651
  H      -8.334161      5.412033      6.073932
  H      -9.031502      3.860569      6.641758
  H     -10.501166      4.709639      4.951329
  H     -12.285003      3.888469      3.449929
  H     -10.515189      0.551595      0.839888
  H      -8.215869     -0.481293      0.641984
  H      -6.372289      0.398709      2.080176
98
Coordinates from ORCA-job orca E -6374.095258717266
  N      -3.404442      0.103578      4.936639
  Mo     -4.032331      1.944723      5.354173
  N      -5.135334      2.240833      6.973490
  C      -4.423010      2.324264      8.252477
  C      -3.142414      1.506080      8.142753
  N      -2.489551      1.764188      6.816516
  C      -1.582231      0.640745      6.433884
  C      -2.401921     -0.482058      5.820059
  C      -1.742554      3.062410      6.837490
  C      -1.621203      3.599653      5.415131
  N      -2.913396      3.462888      4.750766
  H      -1.715877     -1.161922      5.280064
  H      -2.879454     -1.098615      6.613149
  H      -0.883336      1.034327      5.683639
  H      -1.001964      0.297190      7.308474
  H      -1.288598      4.652072      5.461196
  H      -0.841259      3.049237      4.856231
  H      -2.331956      3.767869      7.439424
  H      -0.764655      2.920081      7.333132
  H      -5.027039      1.910682      9.083781
  H      -4.191158      3.372044      8.539869
  H      -3.403336      0.438304      8.156854
  H      -2.434781      1.707876      8.966069
  C      -4.150373     -0.887703      4.174343
  C      -3.355164     -1.412247      2.961550
  C      -2.928016     -0.310592      2.014599
  O      -4.115398      0.107447      1.281631
  C      -4.050246      0.959641      0.235430
  C      -5.070101      0.849047     -0.703858
  C      -5.121518      1.719473     -1.800521
  N      -4.243490      2.684900     -2.041653
  C      -3.242564      2.825357     -1.129584
  C      -2.305861      3.873736     -1.313311
  C      -1.303481      4.067875     -0.386331
  C      -1.239766      3.208232      0.730217
  N      -2.085761      2.210797      0.947248
  C      -3.078356      1.996971      0.037837
  C      -3.539858      4.710772      4.322658
  C      -4.839180      4.424349      3.548156
  C      -4.615187      4.597427      2.053337
  O      -5.746884      4.206867      1.248890
  C      -6.819130      5.013690      1.211142
  C      -6.945994      6.235430      1.861308
  C      -8.153921      6.954073      1.757977
  N      -9.221727      6.567460      1.078524
  C      -9.107782      5.382717      0.406363
  C     -10.207983      4.917379     -0.353764
  C     -10.096443      3.734508     -1.050337
  C      -8.880148      3.019576     -0.985483
  N      -7.829205      3.405536     -0.280960
  C      -7.931372      4.564703      0.417509
  C      -6.553503      2.555346      7.055069
  C      -6.877609      4.066193      6.960087
  C      -8.152732      4.331360      6.177142
  O      -7.946844      3.739487      4.875121
  C      -9.006007      3.374169      4.137676
  C     -10.282133      3.905071      4.245998
  C     -11.299056      3.420066      3.395550
  N     -11.151220      2.462818      2.494170
  C      -9.901393      1.918139      2.385739
  C      -9.686197      0.863624      1.465342
  C      -8.429186      0.312773      1.354078
  C      -7.384393      0.817252      2.159557
  N      -7.541279      1.787896      3.048586
  C      -8.778963      2.339241      3.165422
  H      -4.447409     -1.749968      4.806702
  H      -5.083874     -0.422544      3.816310
  H      -2.442045     -1.917343      3.318211
  H      -3.938842     -2.175324      2.421127
  H      -2.178049     -0.658258      1.287939
  H      -2.515148      0.538911      2.568079
  H      -5.826953      0.075636     -0.574899
  H      -5.936254      1.614260     -2.523567
  H      -2.419590      4.509526     -2.192677
  H      -0.572065      4.869418     -0.499554
  H      -0.461596      3.348444      1.486579
  H      -2.848894      5.283181      3.668264
  H      -3.750291      5.376669      5.184914
  H      -5.664264      5.055579      3.900710
  H      -5.191624      3.387266      3.731517
  H      -3.802077      3.940281      1.721992
  H      -4.334701      5.638427      1.818446
  H      -6.139547      6.649401      2.462942
  H      -8.235361      7.910691      2.285232
  H     -11.118428      5.518395     -0.364380
  H     -10.925935      3.348087     -1.643831
  H      -8.777389      2.080318     -1.538184
  H      -7.008331      2.131994      7.973636
  H      -7.039862      2.058943      6.203832
  H      -6.043460      4.561018      6.437174
  H      -6.963392      4.536616      7.952151
  H      -8.345821      5.410238      6.059260
  H      -9.033250      3.861874      6.647339
  H     -10.510116      4.697722      4.957734
  H     -12.298468      3.860469      3.474532
  H     -10.531060      0.520958      0.865847
  H      -8.225322     -0.493369      0.647600
  H      -6.374645      0.407266      2.064781
98
Coordinates from ORCA-job orca E -6374.095363877506
  N      -3.418042      0.103629      4.925390
  Mo     -4.039505      1.950148      5.341134
  N      -5.129985      2.255157      6.969008
  C      -4.405777      2.334739      8.240852
  C      -3.130936      1.509351      8.120335
  N      -2.485805      1.767464      6.790212
  C      -1.580649      0.643041      6.403984
  C      -2.402752     -0.480631      5.793982
  C      -1.734902      3.063826      6.807090
  C      -1.625084      3.604522      5.384762
  N      -2.919887      3.461329      4.728219
  H      -1.719331     -1.153095      5.241456
  H      -2.866420     -1.105173      6.589179
  H      -0.882910      1.035516      5.652068
  H      -0.998288      0.300801      7.277470
  H      -1.299637      4.659045      5.431656
  H      -0.844299      3.060419      4.820328
  H      -2.314725      3.769597      7.417731
  H      -0.752411      2.916167      7.291714
  H      -5.004724      1.925873      9.078074
  H      -4.164175      3.381128      8.525745
  H      -3.398520      0.443163      8.131979
  H      -2.416518      1.704253      8.939428
  C      -4.174717     -0.888716      4.175857
  C      -3.393039     -1.429686      2.961431
  C      -2.937542     -0.335473      2.019813
  O      -4.112594      0.113653      1.285877
  C      -4.027855      0.985412      0.257869
  C      -5.049057      0.914186     -0.683958
  C      -5.081616      1.805659     -1.763922
  N      -4.183287      2.756814     -1.986668
  C      -3.181900      2.860583     -1.069934
  C      -2.226217      3.895511     -1.230773
  C      -1.225430      4.056843     -0.295596
  C      -1.180877      3.175942      0.805461
  N      -2.043621      2.188255      0.999581
  C      -3.036548      2.008012      0.082284
  C      -3.541860      4.703447      4.276308
  C      -4.845530      4.409405      3.511762
  C      -4.634601      4.585690      2.015123
  O      -5.772394      4.195141      1.220324
  C      -6.844413      5.002418      1.190591
  C      -6.965350      6.226212      1.838013
  C      -8.172639      6.946675      1.739009
  N      -9.244541      6.560790      1.065486
  C      -9.137518      5.372377      0.398705
  C     -10.242901      4.905840     -0.353316
  C     -10.139572      3.716736     -1.040529
  C      -8.926192      2.996955     -0.974765
  N      -7.869934      3.385427     -0.280046
  C      -7.963743      4.550868      0.408596
  C      -6.546666      2.570558      7.062631
  C      -6.874190      4.080515      6.958247
  C      -8.150467      4.334991      6.174023
  O      -7.945748      3.733271      4.876135
  C      -9.007836      3.368571      4.142421
  C     -10.283140      3.900392      4.254304
  C     -11.305786      3.408036      3.414539
  N     -11.164044      2.444457      2.519338
  C      -9.913033      1.903383      2.402629
  C      -9.701862      0.846950      1.483717
  C      -8.442878      0.303176      1.360154
  C      -7.392246      0.816839      2.152198
  N      -7.545925      1.787545      3.041841
  C      -8.785550      2.331561      3.170675
  H      -4.471488     -1.744775      4.817037
  H      -5.108151     -0.420352      3.822070
  H      -2.493493     -1.960323      3.315464
  H      -3.996555     -2.175549      2.418685
  H      -2.193011     -0.696783      1.294252
  H      -2.508532      0.502017      2.579181
  H      -5.823080      0.155812     -0.568923
  H      -5.898235      1.731377     -2.488556
  H      -2.325333      4.549056     -2.098846
  H      -0.480721      4.848447     -0.390582
  H      -0.403226      3.289165      1.567660
  H      -2.849599      5.258663      3.608422
  H      -3.745177      5.387657      5.125697
  H      -5.673298      5.033472      3.870804
  H      -5.189251      3.368944      3.694748
  H      -3.823475      3.930243      1.675884
  H      -4.355895      5.626977      1.779482
  H      -6.154909      6.640347      2.434102
  H      -8.249183      7.905044      2.263791
  H     -11.151025      5.510330     -0.364647
  H     -10.973546      3.328334     -1.626353
  H      -8.830441      2.051521     -1.517929
  H      -6.989831      2.154935      7.990193
  H      -7.044235      2.066619      6.222152
  H      -6.040836      4.576208      6.435033
  H      -6.964942      4.555768      7.947571
  H      -8.348859      5.411847      6.046863
  H      -9.027828      3.865527      6.650132
  H     -10.508600      4.697599      4.961755
  H     -12.305013      3.847895      3.499039
  H     -10.551099      0.498464      0.893750
  H      -8.241853     -0.503545      0.653447
  H      -6.380428      0.415657      2.044860
98
Coordinates from ORCA-job orca E -6374.095441220875
  N      -3.426329      0.117944      4.910626
  Mo     -4.046139      1.964944      5.339616
  N      -5.131867      2.259900      6.973214
  C      -4.403457      2.325494      8.242849
  C      -3.131057      1.498196      8.109175
  N      -2.488868      1.772405      6.780441
  C      -1.580455      0.654194      6.382657
  C      -2.398684     -0.468211      5.762627
  C      -1.740071      3.070312      6.809209
  C      -1.637253      3.628702      5.392216
  N      -2.930834      3.479854      4.734931
  H      -1.712569     -1.124559      5.194022
  H      -2.848177     -1.110889      6.551704
  H      -0.882818      1.055396      5.635332
  H      -0.997413      0.306887      7.253669
  H      -1.323586      4.686152      5.451933
  H      -0.850499      3.099782      4.821164
  H      -2.316832      3.767489      7.432322
  H      -0.754474      2.917778      7.285571
  H      -5.000503      1.911119      9.078657
  H      -4.156938      3.368434      8.536573
  H      -3.402152      0.432819      8.106101
  H      -2.414202      1.679959      8.929175
  C      -4.195134     -0.871570      4.171014
  C      -3.432372     -1.435560      2.953870
  C      -2.942480     -0.360442      2.006939
  O      -4.104328      0.125630      1.275855
  C      -4.003348      1.008577      0.258504
  C      -5.035855      0.971407     -0.673180
  C      -5.057402      1.870777     -1.746391
  N      -4.137249      2.799728     -1.971931
  C      -3.125676      2.873309     -1.063305
  C      -2.149579      3.888471     -1.225277
  C      -1.140331      4.024820     -0.295763
  C      -1.106441      3.136627      0.800190
  N      -1.986947      2.164731      0.993592
  C      -2.990409      2.010274      0.082345
  C      -3.548006      4.716071      4.261769
  C      -4.853977      4.413956      3.505041
  C      -4.651985      4.583632      2.006643
  O      -5.791345      4.184700      1.219245
  C      -6.865864      4.988674      1.189660
  C      -6.989279      6.213244      1.835053
  C      -8.197022      6.932349      1.732007
  N      -9.266408      6.544753      1.055468
  C      -9.158091      5.354162      0.393040
  C     -10.261717      4.885413     -0.360347
  C     -10.158133      3.692085     -1.040224
  C      -8.946353      2.970696     -0.966028
  N      -7.890895      3.362406     -0.271701
  C      -7.984696      4.532353      0.409553
  C      -6.547927      2.574211      7.071660
  C      -6.878732      4.084440      6.971302
  C      -8.154159      4.334943      6.184452
  O      -7.945165      3.735166      4.885959
  C      -9.008057      3.372425      4.151146
  C     -10.281025      3.910394      4.258780
  C     -11.306258      3.414655      3.423871
  N     -11.168358      2.443360      2.536562
  C      -9.918115      1.900030      2.420180
  C      -9.709839      0.839081      1.506012
  C      -8.450783      0.295295      1.380503
  C      -7.397701      0.813796      2.166062
  N      -7.549304      1.787540      3.052907
  C      -8.788813      2.331371      3.183505
  H      -4.494919     -1.720682      4.820484
  H      -5.126385     -0.395867      3.821537
  H      -2.550437     -1.996718      3.304781
  H      -4.063532     -2.160262      2.414084
  H      -2.213748     -0.751037      1.280288
  H      -2.484650      0.464888      2.561087
  H      -5.828441      0.233142     -0.554709
  H      -5.883114      1.822585     -2.462696
  H      -2.240774      4.548727     -2.089151
  H      -0.380355      4.801745     -0.390937
  H      -0.320516      3.228747      1.556811
  H      -2.853369      5.256678      3.584257
  H      -3.748461      5.415952      5.098907
  H      -5.683002      5.035482      3.865605
  H      -5.190903      3.371700      3.692288
  H      -3.840752      3.928474      1.667862
  H      -4.376716      5.624078      1.763403
  H      -6.180641      6.628839      2.432609
  H      -8.275916      7.891482      2.255005
  H     -11.168952      5.491038     -0.378011
  H     -10.990752      3.300864     -1.626056
  H      -8.851205      2.020829     -1.501435
  H      -6.987195      2.156340      8.000031
  H      -7.049350      2.071905      6.232104
  H      -6.045182      4.585734      6.454011
  H      -6.976569      4.555388      7.962016
  H      -8.359539      5.410607      6.058599
  H      -9.028907      3.859104      6.659132
  H     -10.504280      4.713984      4.959699
  H     -12.303911      3.858415      3.506385
  H     -10.561091      0.487912      0.920536
  H      -8.251733     -0.514884      0.677199
  H      -6.385263      0.414819      2.055418
98
Coordinates from ORCA-job orca E -6374.095489027971
  N      -3.437221      0.127082      4.885188
  Mo     -4.048647      1.976078      5.323519
  N      -5.123284      2.265402      6.965529
  C      -4.386562      2.320170      8.230806
  C      -3.117569      1.489541      8.082346
  N      -2.482400      1.774090      6.752068
  C      -1.575784      0.659175      6.340438
  C      -2.395595     -0.461377      5.717549
  C      -1.732689      3.071544      6.785636
  C      -1.640773      3.642735      5.372353
  N      -2.936823      3.492077      4.720423
  H      -1.711257     -1.105552      5.132770
  H      -2.830369     -1.117558      6.503906
  H      -0.882312      1.066501      5.592566
  H      -0.987258      0.306737      7.205850
  H      -1.333958      4.701785      5.440622
  H      -0.853016      3.123978      4.793092
  H      -2.302825      3.763581      7.420322
  H      -0.742561      2.914088      7.250581
  H      -4.979453      1.902280      9.067829
  H      -4.134135      3.360304      8.529969
  H      -3.393183      0.425371      8.070048
  H      -2.395375      1.660657      8.900054
  C      -4.225653     -0.857004      4.161340
  C      -3.486003     -1.439861      2.938791
  C      -2.972770     -0.373047      1.994412
  O      -4.124835      0.153927      1.277657
  C      -4.000763      1.056910      0.281402
  C      -5.033034      1.069975     -0.651058
  C      -5.026111      1.991924     -1.705421
  N      -4.077485      2.897197     -1.910162
  C      -3.066946      2.923210     -0.997386
  C      -2.061729      3.913491     -1.134246
  C      -1.054274      4.003755     -0.196892
  C      -1.050821      3.093303      0.881997
  N      -1.958426      2.142133      1.049692
  C      -2.960931      2.033532      0.130124
  C      -3.547308      4.722544      4.225771
  C      -4.856809      4.414108      3.477683
  C      -4.664303      4.569071      1.975446
  O      -5.806777      4.162940      1.197824
  C      -6.884116      4.963219      1.165496
  C      -7.013346      6.191071      1.803381
  C      -8.225750      6.902196      1.697281
  N      -9.293474      6.503440      1.023965
  C      -9.179014      5.309343      0.369052
  C     -10.280137      4.828443     -0.380668
  C     -10.168880      3.630796     -1.052495
  C      -8.952387      2.917845     -0.973122
  N      -7.899437      3.321545     -0.282687
  C      -8.000492      4.495491      0.390165
  C      -6.537425      2.584766      7.073527
  C      -6.866387      4.095895      6.974403
  C      -8.144421      4.345127      6.190946
  O      -7.941362      3.739845      4.893831
  C      -9.009102      3.377142      4.164544
  C     -10.277838      3.924839      4.273728
  C     -11.310745      3.429224      3.448424
  N     -11.183392      2.448952      2.569452
  C      -9.937383      1.896686      2.450774
  C      -9.741757      0.826176      1.545214
  C      -8.486615      0.273978      1.416228
  C      -7.425593      0.793598      2.189892
  N      -7.565192      1.775306      3.070146
  C      -8.800893      2.327650      3.204239
  H      -4.529913     -1.698557      4.818983
  H      -5.153957     -0.370756      3.818808
  H      -2.618695     -2.029111      3.279776
  H      -4.143128     -2.142742      2.401325
  H      -2.263696     -0.781232      1.257689
  H      -2.485803      0.434499      2.550061
  H      -5.847636      0.353752     -0.548022
  H      -5.851619      1.983935     -2.423448
  H      -2.129533      4.593140     -1.985208
  H      -0.272800      4.761347     -0.272417
  H      -0.266806      3.148327      1.645551
  H      -2.851220      5.248008      3.537842
  H      -3.742692      5.437728      5.051066
  H      -5.682946      5.040133      3.836681
  H      -5.192661      3.373451      3.676031
  H      -3.856510      3.909875      1.636387
  H      -4.389415      5.606815      1.720100
  H      -6.206493      6.614923      2.397585
  H      -8.310624      7.863888      2.214709
  H     -11.191157      5.428285     -0.402647
  H     -10.998558      3.230087     -1.636214
  H      -8.850252      1.964341     -1.500421
  H      -6.971340      2.168808      8.005341
  H      -7.046581      2.084623      6.237783
  H      -6.033568      4.596969      6.455808
  H      -6.962743      4.566732      7.965383
  H      -8.351129      5.420249      6.062969
  H      -9.016729      3.870026      6.671013
  H     -10.492523      4.735573      4.969129
  H     -12.305089      3.880223      3.532033
  H     -10.599281      0.474620      0.969108
  H      -8.296963     -0.544081      0.719415
  H      -6.416067      0.388841      2.075119
98
Coordinates from ORCA-job orca E -6374.095625214441
  N      -3.417040      0.126329      4.884403
  Mo     -4.037399      1.972169      5.322584
  N      -5.120040      2.241381      6.960769
  C      -4.390815      2.293732      8.230707
  C      -3.113392      1.475869      8.082702
  N      -2.474328      1.774791      6.757351
  C      -1.558839      0.670446      6.339174
  C      -2.367725     -0.454520      5.711302
  C      -1.735534      3.077788      6.802094
  C      -1.646622      3.662661      5.394818
  N      -2.941077      3.508860      4.740641
  H      -1.676569     -1.087809      5.122311
  H      -2.794798     -1.119643      6.494342
  H      -0.869815      1.089157      5.593397
  H      -0.966091      0.317861      7.201812
  H      -1.348002      4.723444      5.474108
  H      -0.854026      3.155604      4.811815
  H      -2.312551      3.759658      7.441498
  H      -0.744364      2.925138      7.266484
  H      -4.984798      1.863872      9.060889
  H      -4.150042      3.334026      8.538761
  H      -3.379065      0.409313      8.062559
  H      -2.396717      1.648376      8.905061
  C      -4.206235     -0.863621      4.170447
  C      -3.470567     -1.453815      2.949446
  C      -2.963042     -0.392784      1.995296
  O      -4.123468      0.134827      1.292498
  C      -4.014140      1.035048      0.291260
  C      -5.051353      1.030980     -0.635483
  C      -5.060669      1.946673     -1.695455
  N      -4.123197      2.860706     -1.911001
  C      -3.108097      2.903615     -1.003803
  C      -2.113992      3.902866     -1.153816
  C      -1.102640      4.009956     -0.222877
  C      -1.085145      3.108283      0.863406
  N      -1.981572      2.149124      1.043617
  C      -2.986362      2.022648      0.129408
  C      -3.555780      4.740187      4.255628
  C      -4.864583      4.433413      3.506308
  C      -4.667304      4.576463      2.003623
  O      -5.805428      4.162891      1.222038
  C      -6.882369      4.963575      1.174067
  C      -7.014469      6.195525      1.803561
  C      -8.225304      6.907352      1.685987
  N      -9.288816      6.506114      1.007657
  C      -9.170252      5.310275      0.356573
  C     -10.265694      4.830560     -0.402116
  C     -10.149346      3.634229     -1.075244
  C      -8.933986      2.920609     -0.987203
  N      -7.886335      3.321793     -0.286164
  C      -7.992202      4.495179      0.388363
  C      -6.535345      2.559719      7.060636
  C      -6.861522      4.072684      6.978737
  C      -8.136679      4.337821      6.194954
  O      -7.931062      3.753336      4.888629
  C      -8.997594      3.395682      4.153857
  C     -10.263025      3.952024      4.258943
  C     -11.294696      3.468796      3.425171
  N     -11.168804      2.490496      2.543052
  C      -9.927490      1.926771      2.431942
  C      -9.736435      0.854086      1.527744
  C      -8.485916      0.289005      1.407907
  C      -7.425178      0.797878      2.189045
  N      -7.560325      1.781337      3.068323
  C      -8.791661      2.346230      3.194056
  H      -4.508110     -1.700643      4.835145
  H      -5.135981     -0.380991      3.826705
  H      -2.601976     -2.041809      3.289537
  H      -4.131917     -2.158221      2.418910
  H      -2.267602     -0.809930      1.250300
  H      -2.463046      0.415019      2.539439
  H      -5.857655      0.306794     -0.522666
  H      -5.890195      1.925550     -2.408625
  H      -2.192946      4.575636     -2.009411
  H      -0.329026      4.774732     -0.308053
  H      -0.299499      3.178686      1.623379
  H      -2.862138      5.275596      3.572816
  H      -3.755305      5.446946      5.087363
  H      -5.685469      5.068996      3.860142
  H      -5.207836      3.397067      3.712733
  H      -3.857648      3.913951      1.673684
  H      -4.392664      5.612522      1.740346
  H      -6.210654      6.622276      2.399921
  H      -8.313149      7.871603      2.198364
  H     -11.176019      5.431340     -0.431267
  H     -10.973799      3.235513     -1.667942
  H      -8.827812      1.968598     -1.517076
  H      -6.978171      2.132863      7.983414
  H      -7.036366      2.071008      6.213728
  H      -6.026145      4.577772      6.467944
  H      -6.958061      4.531132      7.975593
  H      -8.339502      5.415668      6.085014
  H      -9.012167      3.857665      6.664235
  H     -10.474249      4.760727      4.957939
  H     -12.286272      3.926977      3.503584
  H     -10.593625      0.510815      0.946024
  H      -8.299611     -0.531263      0.712641
  H      -6.418945      0.382457      2.081015
98
Coordinates from ORCA-job orca E -6374.095733564317
  N      -3.402710      0.132520      4.863858
  Mo     -4.027536      1.973295      5.312592
  N      -5.116459      2.214999      6.947554
  C      -4.395824      2.256551      8.223132
  C      -3.110789      1.451463      8.070752
  N      -2.469594      1.772042      6.751553
  C      -1.546132      0.680896      6.319830
  C      -2.346030     -0.445376      5.682988
  C      -1.741865      3.079987      6.815096
  C      -1.654969      3.685621      5.416772
  N      -2.947850      3.532753      4.757972
  H      -1.649313     -1.066838      5.087752
  H      -2.765895     -1.121499      6.460493
  H      -0.863492      1.114613      5.576819
  H      -0.946888      0.323602      7.176253
  H      -1.364411      4.747293      5.513588
  H      -0.857068      3.193681      4.828187
  H      -2.326004      3.748308      7.462246
  H      -0.750089      2.930227      7.279037
  H      -4.991173      1.809805      9.043317
  H      -4.166548      3.294518      8.546822
  H      -3.367188      0.383070      8.036697
  H      -2.399117      1.619878      8.898203
  C      -4.203155     -0.859021      4.165542
  C      -3.482940     -1.467749      2.944613
  C      -2.973209     -0.420590      1.976327
  O      -4.138439      0.124031      1.294693
  C      -4.034738      1.027097      0.294694
  C      -5.071418      1.019795     -0.631858
  C      -5.087546      1.940945     -1.687213
  N      -4.155930      2.861106     -1.899379
  C      -3.140556      2.906198     -0.992930
  C      -2.152651      3.911883     -1.139563
  C      -1.142252      4.021542     -0.208308
  C      -1.120842      3.117345      0.875809
  N      -2.011216      2.152370      1.052822
  C      -3.013124      2.021468      0.136745
  C      -3.563135      4.767285      4.284609
  C      -4.873046      4.465737      3.535589
  C      -4.666379      4.585160      2.032799
  O      -5.796846      4.155696      1.247986
  C      -6.876762      4.950727      1.175965
  C      -7.023226      6.187741      1.792057
  C      -8.237337      6.890337      1.656347
  N      -9.291513      6.474993      0.972310
  C      -9.157010      5.276208      0.330108
  C     -10.241259      4.783919     -0.436108
  C     -10.107684      3.586753     -1.104420
  C      -8.886425      2.885387     -1.004072
  N      -7.849642      3.296462     -0.292536
  C      -7.972858      4.470428      0.378403
  C      -6.530153      2.542872      7.038777
  C      -6.841236      4.059763      6.981234
  C      -8.114729      4.349734      6.203796
  O      -7.914438      3.783304      4.888846
  C      -8.983542      3.426839      4.156553
  C     -10.245045      3.992876      4.258157
  C     -11.277184      3.518704      3.420513
  N     -11.154778      2.538664      2.539100
  C      -9.919555      1.961549      2.436389
  C      -9.735277      0.882653      1.537881
  C      -8.490846      0.301694      1.429796
  C      -7.429357      0.801735      2.215132
  N      -7.557474      1.792188      3.087632
  C      -8.783044      2.372144      3.202985
  H      -4.507068     -1.686425      4.841216
  H      -5.131788     -0.373612      3.822672
  H      -2.618986     -2.064256      3.281139
  H      -4.158431     -2.166870      2.425104
  H      -2.304369     -0.857902      1.218305
  H      -2.443782      0.379668      2.503277
  H      -5.873247      0.290621     -0.520815
  H      -5.917049      1.918052     -2.399885
  H      -2.235244      4.587336     -1.992552
  H      -0.372689      4.790502     -0.290812
  H      -0.337643      3.191258      1.637229
  H      -2.871957      5.310440      3.605627
  H      -3.762545      5.466055      5.123234
  H      -5.684899      5.118357      3.878762
  H      -5.231371      3.438286      3.758246
  H      -3.853053      3.918612      1.720097
  H      -4.393506      5.617531      1.754167
  H      -6.227992      6.625398      2.391806
  H      -8.337203      7.858323      2.159037
  H     -11.156629      5.376144     -0.475178
  H     -10.922571      3.178934     -1.703863
  H      -8.765732      1.934320     -1.532850
  H      -6.988006      2.103352      7.948221
  H      -7.023719      2.074779      6.175918
  H      -6.002179      4.563353      6.474826
  H      -6.928624      4.504781      7.984928
  H      -8.306642      5.431212      6.112289
  H      -8.994772      3.870969      6.665782
  H     -10.449739      4.803401      4.956856
  H     -12.264939      3.985673      3.492042
  H     -10.592577      0.546671      0.952413
  H      -8.309779     -0.524447      0.740258
  H      -6.427816      0.372186      2.116642
98
Coordinates from ORCA-job orca E -6374.095823850689
  N      -3.386840      0.144211      4.834058
  Mo     -4.011461      1.983106      5.289372
  N      -5.103396      2.195950      6.922433
  C      -4.388518      2.228801      8.201547
  C      -3.096176      1.436539      8.043080
  N      -2.454733      1.777741      6.729234
  C      -1.524932      0.699436      6.281495
  C      -2.317880     -0.428994      5.639677
  C      -1.735043      3.088874      6.810816
  C      -1.655711      3.717979      5.422895
  N      -2.950355      3.567890      4.766210
  H      -1.618301     -1.037778      5.034446
  H      -2.725306     -1.116416      6.414090
  H      -0.851369      1.147767      5.538734
  H      -0.915961      0.338727      7.129817
  H      -1.373344      4.780092      5.538780
  H      -0.854710      3.243002      4.824359
  H      -2.320865      3.743856      7.470106
  H      -0.740735      2.938308      7.269248
  H      -4.983255      1.765327      9.012945
  H      -4.171100      3.264683      8.539786
  H      -3.343450      0.366486      7.996232
  H      -2.388050      1.601139      8.874327
  C      -4.207892     -0.851528      4.165724
  C      -3.516849     -1.497002      2.946982
  C      -2.997062     -0.476748      1.956506
  O      -4.162568      0.103954      1.305258
  C      -4.055148      1.017467      0.314416
  C      -5.087777      1.022757     -0.615769
  C      -5.102398      1.961979     -1.655489
  N      -4.171514      2.886618     -1.849695
  C      -3.158681      2.918181     -0.939532
  C      -2.171776      3.927575     -1.066289
  C      -1.165163      4.023964     -0.129207
  C      -1.147417      3.103391      0.940935
  N      -2.036896      2.133920      1.099184
  C      -3.033704      2.015017      0.175915
  C      -3.560748      4.807521      4.300426
  C      -4.876293      4.518567      3.557494
  C      -4.665419      4.600350      2.053532
  O      -5.793725      4.152307      1.274321
  C      -6.875430      4.942067      1.180291
  C      -7.032007      6.185749      1.780312
  C      -8.248749      6.880589      1.629394
  N      -9.296974      6.451594      0.944446
  C      -9.150862      5.247818      0.313832
  C     -10.227101      4.743217     -0.455666
  C     -10.080853      3.543731     -1.117113
  C      -8.855145      2.852228     -1.006414
  N      -7.826213      3.272906     -0.288583
  C      -7.961997      4.449200      0.376419
  C      -6.516890      2.527915      7.005451
  C      -6.821335      4.046253      6.965280
  C      -8.094931      4.353071      6.193476
  O      -7.902132      3.801642      4.870552
  C      -8.975212      3.444444      4.143432
  C     -10.232812      4.019343      4.245437
  C     -11.269220      3.550680      3.410443
  N     -11.154432      2.566193      2.532188
  C      -9.924947      1.977072      2.432638
  C      -9.751631      0.889024      1.542410
  C      -8.513368      0.293584      1.439755
  C      -7.446390      0.788839      2.220785
  N      -7.564288      1.787876      3.085134
  C      -8.783823      2.381897      3.196453
  H      -4.513566     -1.659583      4.863796
  H      -5.135250     -0.361706      3.825453
  H      -2.663823     -2.110826      3.280200
  H      -4.217200     -2.185758      2.446424
  H      -2.369972     -0.946366      1.181532
  H      -2.420854      0.307069      2.458198
  H      -5.889640      0.291498     -0.517698
  H      -5.929471      1.949383     -2.371218
  H      -2.251886      4.616854     -1.908561
  H      -0.395785      4.794748     -0.196533
  H      -0.368731      3.167842      1.707307
  H      -2.870831      5.351395      3.620489
  H      -3.751439      5.502647      5.144321
  H      -5.671558      5.198516      3.886486
  H      -5.259611      3.507871      3.807832
  H      -3.852071      3.924877      1.760910
  H      -4.391004      5.625365      1.750284
  H      -6.242286      6.634149      2.379657
  H      -8.356790      7.853664      2.120749
  H     -11.146434      5.328803     -0.503380
  H     -10.888896      3.127021     -1.719912
  H      -8.723986      1.900760     -1.532724
  H      -6.985237      2.078001      7.904499
  H      -7.002429      2.073378      6.130633
  H      -5.980801      4.550654      6.461731
  H      -6.902362      4.481244      7.973998
  H      -8.277834      5.437284      6.115917
  H      -8.978336      3.876525      6.651235
  H     -10.428333      4.833712      4.942541
  H     -12.253323      4.025871      3.479151
  H     -10.612519      0.557470      0.959445
  H      -8.340975     -0.540133      0.756893
  H      -6.448791      0.347907      2.125064
98
Coordinates from ORCA-job orca E -6374.095898864681
  N      -3.372880      0.150244      4.799307
  Mo     -3.996862      1.988783      5.257460
  N      -5.089163      2.179148      6.889770
  C      -4.376979      2.208547      8.170037
  C      -3.079212      1.426931      8.007565
  N      -2.439529      1.782253      6.697107
  C      -1.505755      0.713408      6.237023
  C      -2.295406     -0.417970      5.596889
  C      -1.725061      3.095038      6.792157
  C      -1.654323      3.741610      5.412402
  N      -2.953232      3.596843      4.762574
  H      -1.595971     -1.022120      4.986826
  H      -2.694521     -1.108768      6.372765
  H      -0.842418      1.171377      5.490919
  H      -0.886268      0.353089      7.077969
  H      -1.375120      4.803033      5.541743
  H      -0.854285      3.278125      4.803452
  H      -2.310464      3.739834      7.461936
  H      -0.728658      2.942673      7.245555
  H      -4.969757      1.733728      8.976461
  H      -4.169192      3.243543      8.516600
  H      -3.317619      0.355232      7.954061
  H      -2.373302      1.591723      8.840569
  C      -4.210067     -0.853419      4.161740
  C      -3.539578     -1.534115      2.951130
  C      -3.016789     -0.541175      1.935974
  O      -4.182126      0.060233      1.303181
  C      -4.069908      0.986316      0.323991
  C      -5.082036      0.990961     -0.627502
  C      -5.091985      1.951169     -1.648360
  N      -4.174478      2.895854     -1.804830
  C      -3.179565      2.925224     -0.874764
  C      -2.206860      3.952460     -0.961600
  C      -1.218840      4.044146     -0.003707
  C      -1.206063      3.101414      1.046190
  N      -2.083714      2.115251      1.168303
  C      -3.061171      2.001147      0.224075
  C      -3.560730      4.843916      4.312524
  C      -4.885101      4.572609      3.579664
  C      -4.671642      4.616007      2.075007
  O      -5.799448      4.151896      1.302919
  C      -6.879702      4.939612      1.186979
  C      -7.041686      6.192131      1.766927
  C      -8.257645      6.883902      1.597255
  N      -9.301049      6.444564      0.911495
  C      -9.147892      5.232989      0.297311
  C     -10.216663      4.717920     -0.475547
  C     -10.062003      3.513204     -1.125236
  C      -8.835105      2.826632     -0.999356
  N      -7.814371      3.255355     -0.274893
  C      -7.958650      4.436517      0.378727
  C      -6.501927      2.515638      6.969747
  C      -6.797023      4.035686      6.945517
  C      -8.070223      4.361275      6.181108
  O      -7.887779      3.819982      4.852542
  C      -8.966139      3.464268      4.133666
  C     -10.220757      4.045481      4.235987
  C     -11.260530      3.578884      3.404165
  N     -11.152388      2.589901      2.529810
  C      -9.926838      1.992454      2.432978
  C      -9.760457      0.896941      1.550261
  C      -8.526683      0.291701      1.453014
  C      -7.456132      0.784814      2.230927
  N      -7.567515      1.791437      3.086864
  C      -8.782493      2.394683      3.193043
  H      -4.514003     -1.640869      4.883655
  H      -5.137918     -0.364477      3.821599
  H      -2.691856     -2.152903      3.288767
  H      -4.253356     -2.223764      2.470939
  H      -2.420987     -1.036679      1.151986
  H      -2.408160      0.233971      2.412285
  H      -5.872853      0.244171     -0.560134
  H      -5.903408      1.937775     -2.381707
  H      -2.282407      4.658463     -1.790322
  H      -0.460055      4.827347     -0.040670
  H      -0.442777      3.161966      1.827691
  H      -2.874581      5.389853      3.630251
  H      -3.736593      5.531777      5.165575
  H      -5.660329      5.282134      3.894694
  H      -5.298334      3.582535      3.860968
  H      -3.859000      3.931654      1.802799
  H      -4.394061      5.632280      1.746763
  H      -6.256196      6.649710      2.364747
  H      -8.369162      7.863997      2.073718
  H     -11.137084      5.300634     -0.535775
  H     -10.864284      3.088749     -1.730234
  H      -8.696552      1.872204     -1.518725
  H      -6.976875      2.057114      7.861003
  H      -6.983749      2.072502      6.086561
  H      -5.954492      4.538514      6.443720
  H      -6.870015      4.462327      7.958391
  H      -8.240049      5.448351      6.113314
  H      -8.958188      3.892101      6.637234
  H     -10.408809      4.864431      4.929809
  H     -12.241834      4.060039      3.470985
  H     -10.623290      0.567367      0.969011
  H      -8.360092     -0.548548      0.776673
  H      -6.462212      0.335196      2.139528
98
Coordinates from ORCA-job orca E -6374.096493240849
  N      -3.405085      0.151666      4.807570
  Mo     -4.013255      1.994545      5.270905
  N      -5.097226      2.191917      6.906460
  C      -4.376188      2.233835      8.180509
  C      -3.079748      1.449094      8.015223
  N      -2.445900      1.793223      6.699050
  C      -1.526025      0.713303      6.233186
  C      -2.329664     -0.418732      5.606983
  C      -1.729175      3.105905      6.777970
  C      -1.670732      3.745576      5.392943
  N      -2.975786      3.602484      4.754215
  H      -1.636504     -1.032758      4.999555
  H      -2.731179     -1.100285      6.389860
  H      -0.869052      1.163048      5.476369
  H      -0.899008      0.355232      7.069196
  H      -1.387582      4.806923      5.514184
  H      -0.876405      3.277946      4.779207
  H      -2.309843      3.754753      7.448013
  H      -0.729022      2.955569      7.223654
  H      -4.964366      1.766575      8.994529
  H      -4.165954      3.272437      8.514695
  H      -3.317999      0.376970      7.973363
  H      -2.368101      1.621898      8.841637
  C      -4.240445     -0.844463      4.154600
  C      -3.560509     -1.550753      2.962077
  C      -3.019752     -0.585348      1.930170
  O      -4.171154      0.003432      1.261048
  C      -4.030655      0.914899      0.271479
  C      -5.009040      0.901172     -0.715058
  C      -4.988931      1.850888     -1.746382
  N      -4.073931      2.803151     -1.877766
  C      -3.115567      2.853582     -0.910148
  C      -2.151845      3.891663     -0.967705
  C      -1.206104      4.006195      0.030285
  C      -1.223640      3.073443      1.088794
  N      -2.092613      2.075669      1.182960
  C      -3.030713      1.941162      0.201254
  C      -3.573165      4.850204      4.291341
  C      -4.892701      4.597103      3.546504
  C      -4.686931      4.701790      2.044517
  O      -5.819438      4.259491      1.269287
  C      -6.906839      5.041636      1.199880
  C      -7.063247      6.281284      1.808014
  C      -8.292329      6.961347      1.689257
  N      -9.354725      6.518855      1.034441
  C      -9.209148      5.317788      0.397577
  C     -10.298959      4.796232     -0.341220
  C     -10.151556      3.601873     -1.012006
  C      -8.910347      2.931795     -0.941102
  N      -7.870289      3.366878     -0.249049
  C      -8.006907      4.538208      0.422761
  C      -6.509549      2.531269      6.983189
  C      -6.805787      4.050275      6.928847
  C      -8.075377      4.356460      6.149697
  O      -7.874466      3.792878      4.833017
  C      -8.939332      3.423972      4.099452
  C     -10.198934      3.997941      4.178469
  C     -11.221570      3.522182      3.330822
  N     -11.093132      2.528688      2.464025
  C      -9.864060      1.934458      2.394388
  C      -9.679935      0.828571      1.528328
  C      -8.445220      0.220787      1.464805
  C      -7.391567      0.720402      2.261661
  N      -7.519109      1.738408      3.102032
  C      -8.735109      2.345850      3.173217
  H      -4.568361     -1.622289      4.876787
  H      -5.155178     -0.344794      3.795358
  H      -2.719425     -2.166413      3.320672
  H      -4.274428     -2.245600      2.489326
  H      -2.413924     -1.103350      1.168198
  H      -2.417694      0.201197      2.395514
  H      -5.796830      0.149010     -0.668443
  H      -5.772120      1.822104     -2.509933
  H      -2.202177      4.588808     -1.805940
  H      -0.457093      4.799719      0.016808
  H      -0.493841      3.152799      1.901447
  H      -2.876435      5.393997      3.617278
  H      -3.752847      5.537256      5.144512
  H      -5.671520      5.290729      3.887777
  H      -5.296594      3.592288      3.784909
  H      -3.873998      4.034251      1.738540
  H      -4.420169      5.732214      1.753160
  H      -6.263554      6.737616      2.387920
  H      -8.399896      7.931775      2.186408
  H     -11.229558      5.365844     -0.358952
  H     -10.970199      3.172589     -1.591721
  H      -8.773927      1.987111     -1.478817
  H      -6.979392      2.090710      7.886073
  H      -6.994569      2.070289      6.109448
  H      -5.960882      4.543481      6.421319
  H      -6.885812      4.496275      7.932761
  H      -8.251988      5.441310      6.064074
  H      -8.963980      3.888843      6.606367
  H     -10.403991      4.817582      4.867038
  H     -12.206586      3.998456      3.378216
  H     -10.530822      0.492374      0.933298
  H      -8.266081     -0.629780      0.804931
  H      -6.398992      0.263245      2.202097
98
Coordinates from ORCA-job orca E -6374.096900039505
  N      -3.403476      0.103893      4.813940
  Mo     -3.994662      1.959999      5.250576
  N      -5.064325      2.191595      6.888531
  C      -4.326841      2.271082      8.148992
  C      -3.030284      1.485372      7.990708
  N      -2.407958      1.798827      6.662718
  C      -1.503638      0.701532      6.201136
  C      -2.323100     -0.446608      5.622139
  C      -1.696117      3.115347      6.701175
  C      -1.661597      3.723957      5.299974
  N      -2.976816      3.572899      4.684503
  H      -1.640432     -1.085705      5.029502
  H      -2.720604     -1.097820      6.432321
  H      -0.866913      1.130714      5.415714
  H      -0.857038      0.367538      7.031572
  H      -1.372724      4.786701      5.390192
  H      -0.877553      3.241495      4.684043
  H      -2.273864      3.774999      7.363139
  H      -0.690820      2.977841      7.138833
  H      -4.905342      1.827087      8.982730
  H      -4.115084      3.319991      8.446833
  H      -3.259804      0.410978      7.983997
  H      -2.311110      1.688487      8.803431
  C      -4.226219     -0.906955      4.166193
  C      -3.534237     -1.623979      2.988017
  C      -3.007538     -0.665383      1.944021
  O      -4.164169     -0.084665      1.276558
  C      -4.020769      0.866880      0.324851
  C      -4.958483      0.865774     -0.701374
  C      -4.929565      1.866602     -1.684677
  N      -4.047539      2.859084     -1.727430
  C      -3.130775      2.895544     -0.718454
  C      -2.199116      3.963635     -0.685837
  C      -1.292966      4.052463      0.352834
  C      -1.314813      3.063650      1.356795
  N      -2.157799      2.037309      1.368032
  C      -3.059882      1.931775      0.349069
  C      -3.565879      4.814513      4.195055
  C      -4.883184      4.573292      3.449459
  C      -4.692814      4.711303      1.948008
  O      -5.831400      4.269928      1.183742
  C      -6.931907      5.033806      1.162179
  C      -7.096684      6.260036      1.794671
  C      -8.340024      6.920076      1.709630
  N      -9.406042      6.474809      1.062298
  C      -9.251033      5.287172      0.402264
  C     -10.336281      4.765974     -0.343452
  C     -10.175189      3.590034     -1.042372
  C      -8.925267      2.931374     -0.985914
  N      -7.890811      3.367322     -0.287361
  C      -8.039191      4.525236      0.401370
  C      -6.473701      2.545357      6.963193
  C      -6.749527      4.066915      6.874211
  C      -8.025993      4.380316      6.109487
  O      -7.855658      3.802481      4.795209
  C      -8.941388      3.442159      4.090009
  C     -10.204442      3.995132      4.230364
  C     -11.253703      3.519891      3.415563
  N     -11.147993      2.546512      2.524445
  C      -9.912254      1.977245      2.389801
  C      -9.744027      0.897823      1.488803
  C      -8.501488      0.321755      1.352014
  C      -7.425214      0.820012      2.119759
  N      -7.536577      1.810173      2.993758
  C      -8.758866      2.390474      3.130197
  H      -4.552091     -1.675383      4.899712
  H      -5.141872     -0.416951      3.799228
  H      -2.680793     -2.214230      3.359349
  H      -4.234466     -2.340914      2.528275
  H      -2.398156     -1.178319      1.181409
  H      -2.416008      0.133277      2.403982
  H      -5.717784      0.083274     -0.728426
  H      -5.677272      1.846232     -2.484219
  H      -2.240550      4.700754     -1.489302
  H      -0.569091      4.867103      0.406864
  H      -0.609335      3.118461      2.194539
  H      -2.861032      5.346288      3.518947
  H      -3.741699      5.508824      5.043112
  H      -5.660641      5.261913      3.805885
  H      -5.281049      3.562226      3.670643
  H      -3.877595      4.061111      1.617103
  H      -4.443455      5.750006      1.671649
  H      -6.293662      6.720681      2.365633
  H      -8.453993      7.879736      2.225730
  H     -11.273718      5.324575     -0.347538
  H     -10.989696      3.165413     -1.631315
  H      -8.772679      2.001004     -1.542939
  H      -6.932742      2.133979      7.885064
  H      -6.974460      2.063406      6.107448
  H      -5.903200      4.534230      6.345985
  H      -6.811741      4.535817      7.868460
  H      -8.190314      5.466684      6.017663
  H      -8.913256      3.930443      6.585618
  H     -10.394411      4.795190      4.945436
  H     -12.243328      3.977760      3.516910
  H     -10.613285      0.555871      0.925111
  H      -8.334829     -0.509265      0.665357
  H      -6.432579      0.379837      2.010417
98
Coordinates from ORCA-job orca E -6374.097173524907
  N      -3.424073      0.133110      4.838419
  Mo     -4.020608      1.978330      5.305631
  N      -5.093260      2.183233      6.944589
  C      -4.360385      2.246233      8.209446
  C      -3.059658      1.469432      8.040739
  N      -2.437760      1.805535      6.717673
  C      -1.530490      0.718643      6.240414
  C      -2.345741     -0.424245      5.644622
  C      -1.734766      3.125221      6.771133
  C      -1.697744      3.748534      5.376463
  N      -3.008096      3.596922      4.749056
  H      -1.656436     -1.052091      5.047615
  H      -2.743869     -1.087706      6.444471
  H      -0.895113      1.160812      5.461167
  H      -0.882616      0.373802      7.065956
  H      -1.414516      4.811749      5.480540
  H      -0.906884      3.276167      4.761426
  H      -2.320236      3.774004      7.436785
  H      -0.729085      2.991734      7.208955
  H      -4.938651      1.786189      9.034492
  H      -4.153747      3.291164      8.524314
  H      -3.284855      0.394442      8.016742
  H      -2.342504      1.663167      8.857698
  C      -4.241092     -0.861406      4.164015
  C      -3.544658     -1.574777      2.986754
  C      -3.000806     -0.622729      1.943664
  O      -4.144363     -0.037246      1.256365
  C      -3.978737      0.861237      0.256499
  C      -4.917931      0.821524     -0.768044
  C      -4.855726      1.748436     -1.819722
  N      -3.935939      2.699568     -1.934346
  C      -3.019479      2.777847     -0.928457
  C      -2.049153      3.810559     -0.974791
  C      -1.148057      3.951475      0.061645
  C      -1.214950      3.050951      1.144381
  N      -2.090101      2.056342      1.227256
  C      -2.985898      1.896463      0.210115
  C      -3.588283      4.831327      4.235571
  C      -4.895540      4.575156      3.475380
  C      -4.704323      4.743730      1.976684
  O      -5.835358      4.302484      1.200846
  C      -6.953757      5.041725      1.200477
  C      -7.147532      6.243411      1.870439
  C      -8.405982      6.875990      1.803201
  N      -9.458202      6.427405      1.136096
  C      -9.274101      5.267251      0.436649
  C     -10.345490      4.746303     -0.328588
  C     -10.156449      3.595736     -1.061831
  C      -8.892946      2.963098     -1.021030
  N      -7.869322      3.399266     -0.306188
  C      -8.045809      4.532372      0.418504
  C      -6.501242      2.540002      7.016211
  C      -6.779076      4.061732      6.943308
  C      -8.060354      4.371264      6.185504
  O      -7.881944      3.816926      4.862629
  C      -8.962255      3.447426      4.151229
  C     -10.236080      3.968762      4.315587
  C     -11.282082      3.489874      3.499685
  N     -11.159889      2.543962      2.581336
  C      -9.912678      2.009989      2.418085
  C      -9.726880      0.968338      1.477012
  C      -8.470568      0.431933      1.305145
  C      -7.399238      0.932510      2.077271
  N      -7.525266      1.888057      2.987704
  C      -8.761940      2.429699      3.160244
  H      -4.587363     -1.637964      4.879772
  H      -5.144773     -0.355961      3.788059
  H      -2.699850     -2.175926      3.359476
  H      -4.252350     -2.280832      2.522266
  H      -2.392807     -1.152796      1.191792
  H      -2.403802      0.173386      2.400019
  H      -5.700456      0.062671     -0.743583
  H      -5.603395      1.697503     -2.617432
  H      -2.059747      4.482088     -1.834600
  H      -0.397261      4.743057      0.057605
  H      -0.519465      3.152952      1.985385
  H      -2.872684      5.353607      3.564231
  H      -3.779785      5.538359      5.070091
  H      -5.689769      5.238180      3.840522
  H      -5.263952      3.548700      3.666178
  H      -3.881394      4.109938      1.631753
  H      -4.468331      5.790516      1.720459
  H      -6.357311      6.703748      2.459539
  H      -8.545434      7.815155      2.349359
  H     -11.295407      5.282842     -0.317563
  H     -10.959712      3.170848     -1.665353
  H      -8.719203      2.051901     -1.602330
  H      -6.965606      2.120109      7.931590
  H      -6.997104      2.069849      6.152506
  H      -5.937244      4.537141      6.415061
  H      -6.839425      4.520373      7.942440
  H      -8.243046      5.456037      6.113544
  H      -8.938797      3.898414      6.656079
  H     -10.436862      4.746349      5.051785
  H     -12.280794      3.922261      3.618992
  H     -10.593259      0.624229      0.910444
  H      -8.289189     -0.367545      0.585675
  H      -6.395143      0.524543      1.938868
98
Coordinates from ORCA-job orca E -6374.097301058739
  N      -3.478905      0.118130      4.841221
  Mo     -4.053712      1.968111      5.315907
  N      -5.107521      2.178996      6.968958
  C      -4.362625      2.234105      8.227709
  C      -3.073683      1.442394      8.046888
  N      -2.459929      1.770826      6.717378
  C      -1.571518      0.674677      6.230741
  C      -2.404312     -0.454063      5.639941
  C      -1.735732      3.078055      6.763976
  C      -1.701410      3.700760      5.371891
  N      -3.018891      3.570355      4.757568
  H      -1.724749     -1.088887      5.038801
  H      -2.806342     -1.112996      6.441430
  H      -0.938088      1.110270      5.446017
  H      -0.920220      0.318564      7.049625
  H      -1.397728      4.759027      5.473885
  H      -0.924785      3.212978      4.750465
  H      -2.304451      3.735699      7.435256
  H      -0.726878      2.929619      7.190117
  H      -4.937969      1.780574      9.058799
  H      -4.139785      3.276563      8.541109
  H      -3.312500      0.370167      8.024469
  H      -2.347617      1.627028      8.858819
  C      -4.293486     -0.860070      4.145759
  C      -3.585182     -1.535030      2.956521
  C      -3.031814     -0.550155      1.948012
  O      -4.172087      0.067301      1.281543
  C      -4.014725      0.981376      0.292806
  C      -4.968286      0.945405     -0.718815
  C      -4.916361      1.867372     -1.774576
  N      -3.992542      2.810789     -1.907233
  C      -3.062207      2.887441     -0.914583
  C      -2.084575      3.911421     -0.985104
  C      -1.168632      4.053802      0.037108
  C      -1.231686      3.166053      1.131161
  N      -2.111695      2.178987      1.236152
  C      -3.018546      2.013407      0.230963
  C      -3.575670      4.802757      4.217846
  C      -4.881253      4.541235      3.449934
  C      -4.688740      4.723897      1.950141
  O      -5.817477      4.290060      1.161251
  C      -6.926063      5.046039      1.138275
  C      -7.091072      6.276205      1.763398
  C      -8.336590      6.931481      1.680813
  N      -9.403176      6.478723      1.040432
  C      -9.249751      5.289848      0.382831
  C     -10.345147      4.757628     -0.339752
  C     -10.191930      3.573085     -1.025163
  C      -8.939190      2.921589     -0.986235
  N      -7.891652      3.367099     -0.309555
  C      -8.034530      4.531243      0.377119
  C      -6.512062      2.543633      7.059382
  C      -6.785113      4.065934      6.970478
  C      -8.056054      4.365581      6.193431
  O      -7.851512      3.776782      4.891325
  C      -8.911209      3.418587      4.145205
  C     -10.168513      3.998534      4.217085
  C     -11.188057      3.527855      3.362928
  N     -11.056055      2.537246      2.493766
  C      -9.826876      1.943047      2.427026
  C      -9.636214      0.849911      1.547332
  C      -8.400758      0.244194      1.484070
  C      -7.353909      0.732248      2.297737
  N      -7.484827      1.740652      3.148602
  C      -8.702074      2.347451      3.216052
  H      -4.646527     -1.656644      4.836483
  H      -5.193413     -0.343308      3.773123
  H      -2.742398     -2.147070      3.317867
  H      -4.290805     -2.225672      2.465961
  H      -2.428064     -1.061785      1.180372
  H      -2.427367      0.225456      2.431120
  H      -5.750791      0.186945     -0.683951
  H      -5.676096      1.818430     -2.561107
  H      -2.101196      4.575124     -1.851389
  H      -0.411665      4.839857      0.016074
  H      -0.529015      3.272894      1.963068
  H      -2.844019      5.298637      3.544509
  H      -3.767237      5.531879      5.033536
  H      -5.681962      5.191239      3.820377
  H      -5.237216      3.506954      3.623148
  H      -3.862996      4.091156      1.600079
  H      -4.449244      5.772883      1.702683
  H      -6.286911      6.743656      2.328472
  H      -8.453383      7.893167      2.192877
  H     -11.286458      5.309756     -0.330748
  H     -11.016693      3.133506     -1.588024
  H      -8.798775      1.979847     -1.527043
  H      -6.970116      2.135962      7.983976
  H      -7.019231      2.068161      6.208599
  H      -5.938968      4.531906      6.440401
  H      -6.851951      4.536937      7.963987
  H      -8.235442      5.448573      6.092185
  H      -8.941498      3.903030      6.661888
  H     -10.374125      4.820833      4.901796
  H     -12.171767      4.007489      3.405049
  H     -10.481615      0.524168      0.938197
  H      -8.214451     -0.595292      0.812097
  H      -6.363246      0.271827      2.241368
98
Coordinates from ORCA-job orca E -6374.098378444731
  N      -3.457096      0.110089      4.862737
  Mo     -4.045867      1.960992      5.321271
  N      -5.104794      2.189149      6.970308
  C      -4.358520      2.265837      8.226398
  C      -3.065716      1.477994      8.058144
  N      -2.452613      1.792175      6.725757
  C      -1.557274      0.694357      6.253848
  C      -2.385735     -0.446212      5.679251
  C      -1.736510      3.104010      6.756702
  C      -1.701074      3.704719      5.354498
  N      -3.016133      3.559856      4.739398
  H      -1.703921     -1.093516      5.094720
  H      -2.791096     -1.088868      6.492148
  H      -0.927483      1.121237      5.461587
  H      -0.904080      0.355268      7.078003
  H      -1.401913      4.765505      5.440020
  H      -0.920679      3.211393      4.741724
  H      -2.312271      3.767624      7.416236
  H      -0.729288      2.967037      7.190234
  H      -4.931057      1.823572      9.065369
  H      -4.139484      3.313939      8.522850
  H      -3.296829      0.403989      8.051301
  H      -2.341660      1.679581      8.867538
  C      -4.252768     -0.888118      4.170390
  C      -3.527393     -1.563670      2.990541
  C      -2.998423     -0.582097      1.967545
  O      -4.150280     -0.006970      1.285131
  C      -3.998510      0.896979      0.287870
  C      -4.951134      0.858151     -0.724554
  C      -4.905715      1.788350     -1.773467
  N      -3.990620      2.742338     -1.897499
  C      -3.060487      2.818553     -0.904361
  C      -2.094100      3.854310     -0.960623
  C      -1.180387      3.994252      0.065321
  C      -1.232727      3.091914      1.146999
  N      -2.103410      2.094177      1.239154
  C      -3.009261      1.933877      0.231663
  C      -3.575344      4.784171      4.181318
  C      -4.871529      4.514083      3.402692
  C      -4.686823      4.778037      1.915162
  O      -5.811104      4.357145      1.115615
  C      -6.937137      5.084089      1.152401
  C      -7.124418      6.272864      1.846990
  C      -8.386104      6.901276      1.812148
  N      -9.449532      6.458320      1.159963
  C      -9.276294      5.307151      0.442739
  C     -10.365855      4.784908     -0.295476
  C     -10.192382      3.638413     -1.038220
  C      -8.924813      3.013769     -1.039444
  N      -7.882128      3.452707     -0.353095
  C      -8.044647      4.579683      0.385746
  C      -6.510276      2.550571      7.058052
  C      -6.784684      4.071114      6.945040
  C      -8.059923      4.359183      6.171148
  O      -7.866031      3.761825      4.871527
  C      -8.934853      3.411420      4.137669
  C     -10.201468      3.962792      4.252808
  C     -11.230575      3.492943      3.409204
  N     -11.100604      2.529978      2.510491
  C      -9.859670      1.967525      2.396220
  C      -9.665303      0.906470      1.479236
  C      -8.418111      0.335230      1.365157
  C      -7.362903      0.824212      2.167474
  N      -7.497385      1.800507      3.053586
  C      -8.726008      2.373769      3.169598
  H      -4.592995     -1.683842      4.868021
  H      -5.161203     -0.391166      3.793101
  H      -2.667900     -2.144559      3.363265
  H      -4.210472     -2.284150      2.511582
  H      -2.372915     -1.083718      1.211259
  H      -2.423140      0.219384      2.443930
  H      -5.728551      0.094300     -0.695341
  H      -5.665334      1.739349     -2.560065
  H      -2.117632      4.527940     -1.818652
  H      -0.432229      4.788487      0.053941
  H      -0.530003      3.195691      1.980168
  H      -2.839022      5.277571      3.511082
  H      -3.775782      5.517713      4.990357
  H      -5.697217      5.116833      3.799733
  H      -5.188430      3.458966      3.524675
  H      -3.847266      4.188491      1.530052
  H      -4.475407      5.843624      1.720963
  H      -6.325560      6.727298      2.429466
  H      -8.518604      7.830976      2.376364
  H     -11.319062      5.314167     -0.252388
  H     -11.012359      3.208230     -1.614857
  H      -8.766383      2.102540     -1.624971
  H      -6.960354      2.157475      7.992564
  H      -7.022913      2.057351      6.218712
  H      -5.940030      4.529436      6.406278
  H      -6.849637      4.557142      7.931035
  H      -8.243154      5.440675      6.060900
  H      -8.941383      3.899769      6.649809
  H     -10.410523      4.760430      4.964825
  H     -12.222805      3.948948      3.490683
  H     -10.517532      0.577640      0.882189
  H      -8.228637     -0.477833      0.662800
  H      -6.364645      0.391005      2.072089
98
Coordinates from ORCA-job orca E -6374.098957494220
  N      -3.463192      0.094121      4.869107
  Mo     -4.040479      1.951438      5.315413
  N      -5.090595      2.195591      6.967333
  C      -4.337323      2.284802      8.218687
  C      -3.045868      1.493759      8.051529
  N      -2.440154      1.793755      6.712541
  C      -1.552361      0.688524      6.243470
  C      -2.389019     -0.455868      5.687160
  C      -1.721181      3.104268      6.725419
  C      -1.693408      3.692236      5.317251
  N      -3.012498      3.544436      4.711918
  H      -1.712227     -1.113250      5.107947
  H      -2.792482     -1.086998      6.510018
  H      -0.929403      1.106035      5.440908
  H      -0.891921      0.355659      7.064357
  H      -1.392295      4.753362      5.392695
  H      -0.916605      3.193293      4.703868
  H      -2.291720      3.775544      7.381876
  H      -0.711243      2.970299      7.153390
  H      -4.905663      1.852389      9.065408
  H      -4.115419      3.335817      8.502726
  H      -3.277904      0.420024      8.057227
  H      -2.317323      1.702946      8.854748
  C      -4.260725     -0.907539      4.182267
  C      -3.537458     -1.594133      3.006797
  C      -3.001934     -0.617969      1.983016
  O      -4.151453     -0.034048      1.304071
  C      -3.992290      0.881942      0.319012
  C      -4.927126      0.848358     -0.709647
  C      -4.873328      1.795189     -1.743416
  N      -3.966283      2.760457     -1.836535
  C      -3.056529      2.833503     -0.824350
  C      -2.103567      3.883056     -0.844140
  C      -1.214341      4.020164      0.203738
  C      -1.278699      3.102652      1.271988
  N      -2.137335      2.091656      1.330073
  C      -3.016482      1.932155      0.298638
  C      -3.554328      4.757869      4.115363
  C      -4.858515      4.478599      3.356425
  C      -4.706160      4.769127      1.871401
  O      -5.842876      4.346215      1.091752
  C      -6.973582      5.063430      1.157045
  C      -7.158152      6.243311      1.867074
  C      -8.421809      6.868686      1.849170
  N      -9.489040      6.430186      1.200023
  C      -9.319358      5.285277      0.471743
  C     -10.410331      4.772330     -0.270805
  C     -10.238109      3.635157     -1.028567
  C      -8.972146      3.006798     -1.034714
  N      -7.927570      3.439220     -0.347743
  C      -8.087475      4.559956      0.400734
  C      -6.492929      2.569930      7.055378
  C      -6.756890      4.090613      6.919717
  C      -8.033022      4.376821      6.144836
  O      -7.844888      3.773027      4.846491
  C      -8.916105      3.424497      4.114479
  C     -10.187172      3.960356      4.251282
  C     -11.219272      3.495053      3.408837
  N     -11.088683      2.548711      2.492701
  C      -9.843917      1.999848      2.357159
  C      -9.650560      0.950968      1.425540
  C      -8.399979      0.391472      1.291039
  C      -7.340637      0.878570      2.088868
  N      -7.474683      1.842005      2.989435
  C      -8.706731      2.404225      3.126369
  H      -4.605199     -1.696831      4.884778
  H      -5.167044     -0.410606      3.799634
  H      -2.681342     -2.177785      3.382367
  H      -4.223778     -2.313045      2.529898
  H      -2.383067     -1.125000      1.224581
  H      -2.419026      0.178073      2.457813
  H      -5.697039      0.076467     -0.705352
  H      -5.618641      1.750880     -2.543643
  H      -2.117656      4.569046     -1.692432
  H      -0.476585      4.823915      0.219520
  H      -0.595786      3.203962      2.122853
  H      -2.813873      5.217726      3.425913
  H      -3.740607      5.520471      4.900416
  H      -5.689134      5.059540      3.776385
  H      -5.146737      3.414714      3.465871
  H      -3.869594      4.196459      1.457670
  H      -4.511429      5.839765      1.688510
  H      -6.354997      6.694059      2.446545
  H      -8.551832      7.792851      2.422953
  H     -11.362323      5.303165     -0.222432
  H     -11.057144      3.217140     -1.615752
  H      -8.812553      2.104006     -1.633191
  H      -6.941101      2.196020      7.998423
  H      -7.013648      2.066530      6.226870
  H      -5.910379      4.534806      6.371513
  H      -6.814851      4.590758      7.898882
  H      -8.214104      5.458185      6.029166
  H      -8.914924      3.922882      6.628234
  H     -10.398787      4.740315      4.981986
  H     -12.215427      3.938552      3.508563
  H     -10.507573      0.617891      0.838320
  H      -8.211818     -0.413394      0.579193
  H      -6.340539      0.450690      1.981880
98
Coordinates from ORCA-job orca E -6374.099591386054
  N      -3.480327      0.084681      4.863844
  Mo     -4.042666      1.948544      5.301007
  N      -5.087833      2.201369      6.954954
  C      -4.331136      2.295962      8.203966
  C      -3.043272      1.499287      8.039188
  N      -2.440363      1.790453      6.697444
  C      -1.561603      0.678747      6.227865
  C      -2.407690     -0.464321      5.684760
  C      -1.715732      3.097341      6.703738
  C      -1.689668      3.682227      5.295107
  N      -3.011016      3.538965      4.694993
  H      -1.736719     -1.133151      5.111785
  H      -2.814096     -1.083506      6.515088
  H      -0.944059      1.089169      5.417488
  H      -0.895602      0.346840      7.044662
  H      -1.383802      4.742339      5.369028
  H      -0.915878      3.179905      4.680178
  H      -2.282216      3.772860      7.359426
  H      -0.704972      2.961357      7.129061
  H      -4.899036      1.871383      9.054861
  H      -4.104516      3.348025      8.480562
  H      -3.278421      0.426343      8.052090
  H      -2.312677      1.711058      8.839748
  C      -4.279410     -0.918578      4.180907
  C      -3.553932     -1.609790      3.009970
  C      -3.007896     -0.635362      1.990446
  O      -4.152130     -0.033485      1.317410
  C      -3.981937      0.888924      0.339325
  C      -4.898124      0.857461     -0.705462
  C      -4.829632      1.810510     -1.732896
  N      -3.923790      2.778447     -1.805377
  C      -3.032059      2.848937     -0.777193
  C      -2.080281      3.899746     -0.776281
  C      -1.210163      4.033466      0.287774
  C      -1.293028      3.112261      1.351512
  N      -2.150969      2.099615      1.390972
  C      -3.009897      1.942693      0.342575
  C      -3.527443      4.743945      4.061798
  C      -4.833241      4.459935      3.307998
  C      -4.700423      4.804487      1.833312
  O      -5.833619      4.377537      1.050279
  C      -6.980808      5.064481      1.144868
  C      -7.188002      6.217917      1.891174
  C      -8.465025      6.815740      1.896138
  N      -9.525827      6.371824      1.239993
  C      -9.335369      5.250508      0.480396
  C     -10.419537      4.731974     -0.268087
  C     -10.226736      3.619013     -1.056413
  C      -8.946763      3.020977     -1.088376
  N      -7.907108      3.459264     -0.397103
  C      -8.087762      4.555897      0.382068
  C      -6.485678      2.592535      7.046521
  C      -6.731913      4.115266      6.895013
  C      -8.011265      4.408293      6.128164
  O      -7.841342      3.789563      4.834779
  C      -8.922657      3.435119      4.122110
  C     -10.197225      3.953858      4.288203
  C     -11.240534      3.478137      3.465641
  N     -11.117644      2.535089      2.545020
  C      -9.869950      1.999836      2.384062
  C      -9.683965      0.953313      1.448166
  C      -8.430544      0.406194      1.289974
  C      -7.360149      0.905318      2.065597
  N      -7.485921      1.869474      2.967155
  C      -8.721799      2.417366      3.129362
  H      -4.628955     -1.703514      4.885542
  H      -5.183120     -0.421195      3.792920
  H      -2.701973     -2.197096      3.389626
  H      -4.241195     -2.325897      2.530067
  H      -2.398151     -1.146939      1.227424
  H      -2.412781      0.150533      2.467265
  H      -5.664976      0.082605     -0.719013
  H      -5.561241      1.768862     -2.545819
  H      -2.080084      4.589388     -1.621732
  H      -0.473682      4.837949      0.319671
  H      -0.627296      3.212575      2.215764
  H      -2.775151      5.170464      3.363543
  H      -3.704525      5.531621      4.823713
  H      -5.675154      5.005296      3.752822
  H      -5.087917      3.384148      3.384174
  H      -3.854043      4.267504      1.392476
  H      -4.533331      5.884924      1.682824
  H      -6.392053      6.668645      2.480681
  H      -8.612201      7.720778      2.495844
  H     -11.383505      5.238294     -0.198603
  H     -11.040516      3.196505     -1.647679
  H      -8.770924      2.137931     -1.711699
  H      -6.931982      2.236180      7.997195
  H      -7.017709      2.084363      6.228139
  H      -5.884851      4.541780      6.333410
  H      -6.774037      4.627163      7.868767
  H      -8.183532      5.490166      6.003233
  H      -8.893178      3.967866      6.624079
  H     -10.404110      4.726516      5.028004
  H     -12.239956      3.908635      3.587688
  H     -10.548805      0.612250      0.877052
  H      -8.247776     -0.396956      0.574793
  H      -6.357781      0.487162      1.938965
98
Coordinates from ORCA-job orca E -6374.100411954038
  N      -3.501713      0.088762      4.859363
  Mo     -4.060347      1.952590      5.298349
  N      -5.112292      2.199783      6.951301
  C      -4.361281      2.287941      8.204447
  C      -3.075902      1.488133      8.044394
  N      -2.467767      1.782965      6.706474
  C      -1.589716      0.672041      6.235768
  C      -2.437119     -0.465754      5.686753
  C      -1.740699      3.088078      6.724668
  C      -1.702879      3.680726      5.321036
  N      -3.019334      3.540486      4.710710
  H      -1.766416     -1.139391      5.119067
  H      -2.852795     -1.081611      6.514722
  H      -0.969249      1.083870      5.428238
  H      -0.926427      0.334222      7.052376
  H      -1.396779      4.740302      5.404289
  H      -0.924052      3.181684      4.709639
  H      -2.311095      3.761387      7.379221
  H      -0.733168      2.949299      7.156724
  H      -4.934419      1.862796      9.051527
  H      -4.132480      3.338327      8.485888
  H      -3.314179      0.415760      8.052609
  H      -2.348999      1.694982      8.849446
  C      -4.294666     -0.911338      4.165770
  C      -3.557515     -1.586643      2.992813
  C      -3.009736     -0.603406      1.981547
  O      -4.151201      0.002750      1.307342
  C      -3.972290      0.912271      0.318194
  C      -4.884553      0.876432     -0.729223
  C      -4.804415      1.816453     -1.767816
  N      -3.887415      2.772536     -1.851087
  C      -2.996278      2.844565     -0.822989
  C      -2.029032      3.881197     -0.836550
  C      -1.159501      4.017531      0.226855
  C      -1.257735      3.112551      1.303479
  N      -2.128164      2.111691      1.356522
  C      -2.987506      1.953828      0.309704
  C      -3.511140      4.734225      4.038798
  C      -4.813756      4.437935      3.279152
  C      -4.689182      4.838033      1.817929
  O      -5.814126      4.411899      1.020895
  C      -6.973091      5.076331      1.133738
  C      -7.192816      6.210988      1.905009
  C      -8.478139      6.789351      1.930536
  N      -9.538262      6.338066      1.278524
  C      -9.338536      5.230566      0.501103
  C     -10.426889      4.698075     -0.230956
  C     -10.228679      3.594487     -1.030855
  C      -8.938135      3.024239     -1.096609
  N      -7.892529      3.475289     -0.421074
  C      -8.079558      4.560333      0.373938
  C      -6.506420      2.603060      7.049032
  C      -6.736247      4.129352      6.900357
  C      -8.012645      4.433938      6.135576
  O      -7.845462      3.806783      4.847685
  C      -8.926756      3.448160      4.140432
  C     -10.204905      3.958813      4.304128
  C     -11.243376      3.472489      3.481551
  N     -11.112875      2.525180      2.566208
  C      -9.862507      1.993312      2.414172
  C      -9.668136      0.940721      1.487002
  C      -8.412551      0.393904      1.344074
  C      -7.347583      0.903174      2.120728
  N      -7.479472      1.878652      3.009632
  C      -8.718771      2.422741      3.158698
  H      -4.645781     -1.703926      4.860626
  H      -5.198153     -0.414963      3.776139
  H      -2.704135     -2.172127      3.373182
  H      -4.236843     -2.303590      2.503250
  H      -2.398961     -1.111814      1.217155
  H      -2.413396      0.179300      2.463746
  H      -5.658953      0.108935     -0.734689
  H      -5.535146      1.773027     -2.581571
  H      -2.018049      4.559506     -1.691146
  H      -0.412366      4.812520      0.249581
  H      -0.597175      3.219399      2.168961
  H      -2.744009      5.127904      3.337351
  H      -3.685665      5.547199      4.774046
  H      -5.673153      4.939230      3.740813
  H      -5.031421      3.349862      3.317355
  H      -3.829505      4.337068      1.358531
  H      -4.546758      5.926725      1.704409
  H      -6.399192      6.662433      2.497402
  H      -8.633691      7.682345      2.546147
  H     -11.399836      5.182536     -0.135366
  H     -11.047075      3.156453     -1.603825
  H      -8.761736      2.147542     -1.729040
  H      -6.954115      2.251399      8.000896
  H      -7.046432      2.100194      6.232690
  H      -5.886009      4.546258      6.336210
  H      -6.769501      4.641594      7.874222
  H      -8.177428      5.516315      6.004991
  H      -8.897296      4.001503      6.633505
  H     -10.418311      4.733611      5.039745
  H     -12.245343      3.898856      3.597832
  H     -10.527941      0.596436      0.909589
  H      -8.222673     -0.414345      0.636226
  H      -6.343585      0.486811      2.003541
98
Coordinates from ORCA-job orca E -6374.101251098967
  N      -3.510477      0.087398      4.868116
  Mo     -4.064844      1.952211      5.305101
  N      -5.122215      2.199011      6.956205
  C      -4.374823      2.285180      8.211974
  C      -3.089810      1.484026      8.055985
  N      -2.478118      1.779146      6.719878
  C      -1.600968      0.667769      6.249274
  C      -2.449197     -0.468709      5.698520
  C      -1.750701      3.083919      6.740827
  C      -1.706740      3.678299      5.338136
  N      -3.019734      3.535721      4.720848
  H      -1.778372     -1.144392      5.133446
  H      -2.868798     -1.082999      6.525651
  H      -0.979136      1.079646      5.442661
  H      -0.938635      0.327698      7.065760
  H      -1.403572      4.738565      5.424847
  H      -0.923043      3.182039      4.730358
  H      -2.323718      3.757016      7.393146
  H      -0.744734      2.945417      7.176335
  H      -4.951535      1.860454      9.056740
  H      -4.145691      3.335115      8.494991
  H      -3.329690      0.411995      8.062952
  H      -2.364988      1.689328      8.863221
  C      -4.299443     -0.909557      4.166177
  C      -3.557930     -1.577743      2.991205
  C      -3.008068     -0.590935      1.983927
  O      -4.148184      0.019926      1.311456
  C      -3.966278      0.920973      0.314602
  C      -4.876103      0.878015     -0.734383
  C      -4.791175      1.808257     -1.781615
  N      -3.870527      2.760279     -1.871929
  C      -2.981887      2.839637     -0.842459
  C      -2.010998      3.873071     -0.864056
  C      -1.145716      4.018694      0.201149
  C      -1.251883      3.126446      1.287995
  N      -2.124185      2.127900      1.348166
  C      -2.979296      1.960735      0.299502
  C      -3.487895      4.711882      4.002640
  C      -4.791461      4.406844      3.246895
  C      -4.689991      4.852189      1.797181
  O      -5.817051      4.429831      1.000840
  C      -6.983557      5.077751      1.134728
  C      -7.209928      6.197540      1.925698
  C      -8.500082      6.763835      1.966064
  N      -9.559131      6.312419      1.312276
  C      -9.353884      5.217512      0.518771
  C     -10.441926      4.685273     -0.213872
  C     -10.238432      3.594013     -1.029439
  C      -8.943469      3.036145     -1.109997
  N      -7.897138      3.487906     -0.435688
  C      -8.089257      4.560994      0.374748
  C      -6.513805      2.611121      7.054572
  C      -6.734234      4.138758      6.903948
  C      -8.009343      4.448554      6.139318
  O      -7.843138      3.820774      4.851627
  C      -8.924190      3.456462      4.146403
  C     -10.205234      3.959272      4.312879
  C     -11.241118      3.470163      3.488979
  N     -11.105518      2.526958      2.569990
  C      -9.853012      2.000688      2.417112
  C      -9.654463      0.950562      1.488024
  C      -8.396981      0.407282      1.346915
  C      -7.335101      0.917998      2.126092
  N      -7.470035      1.892603      3.016033
  C      -8.711398      2.433127      3.163518
  H      -4.652385     -1.706330      4.855129
  H      -5.202269     -0.412731      3.775419
  H      -2.705279     -2.164957      3.370569
  H      -4.235776     -2.292232      2.496148
  H      -2.399899     -1.099939      1.217787
  H      -2.408539      0.188148      2.467804
  H      -5.652789      0.112750     -0.733798
  H      -5.520266      1.759626     -2.596487
  H      -1.994390      4.542075     -1.725887
  H      -0.395991      4.811374      0.218269
  H      -0.595296      3.241707      2.155252
  H      -2.710043      5.066115      3.292118
  H      -3.653221      5.554290      4.706091
  H      -5.659723      4.870457      3.729771
  H      -4.976022      3.312073      3.252678
  H      -3.827644      4.379096      1.313283
  H      -4.566523      5.945791      1.712899
  H      -6.417513      6.647520      2.520814
  H      -8.660782      7.646824      2.594621
  H     -11.418661      5.159304     -0.105861
  H     -11.056081      3.156080     -1.603624
  H      -8.763832      2.169042     -1.754513
  H      -6.962813      2.265380      8.007891
  H      -7.057921      2.109777      6.240360
  H      -5.881925      4.549521      6.338389
  H      -6.762756      4.652001      7.877445
  H      -8.172004      5.531092      6.008236
  H      -8.894728      4.018331      6.637831
  H     -10.422919      4.730638      5.050781
  H     -12.244954      3.892073      3.605155
  H     -10.512518      0.604809      0.909022
  H      -8.203464     -0.399572      0.638364
  H      -6.330379      0.503946      2.010552
98
Coordinates from ORCA-job orca E -6374.102040923566
  N      -3.515113      0.087661      4.879809
  Mo     -4.067913      1.952097      5.316515
  N      -5.132051      2.193765      6.965463
  C      -4.389407      2.276789      8.224652
  C      -3.102832      1.477341      8.071850
  N      -2.487521      1.776492      6.738375
  C      -1.608905      0.667342      6.266023
  C      -2.455375     -0.469007      5.711473
  C      -1.762885      3.082588      6.764306
  C      -1.713618      3.681330      5.363492
  N      -3.022437      3.534080      4.737861
  H      -1.782841     -1.143648      5.147201
  H      -2.877009     -1.084750      6.536503
  H      -0.986363      1.082169      5.461269
  H      -0.946845      0.324888      7.081787
  H      -1.416443      4.742937      5.455801
  H      -0.923272      3.191118      4.759071
  H      -2.340311      3.753066      7.415220
  H      -0.758281      2.946057      7.203245
  H      -4.969538      1.849306      9.065558
  H      -4.162616      3.326158      8.511751
  H      -3.342200      0.405174      8.075370
  H      -2.380833      1.680953      8.881952
  C      -4.300083     -0.905974      4.169528
  C      -3.556049     -1.568065      2.991671
  C      -3.006120     -0.579607      1.985257
  O      -4.146264      0.034146      1.315326
  C      -3.963839      0.923309      0.307378
  C      -4.872466      0.867996     -0.741771
  C      -4.785362      1.784528     -1.801179
  N      -3.862529      2.733436     -1.903020
  C      -2.975644      2.825724     -0.873364
  C      -2.003229      3.857816     -0.907517
  C      -1.142276      4.019139      0.158443
  C      -1.254351      3.144190      1.259180
  N      -2.125995      2.146147      1.330505
  C      -2.976731      1.963214      0.281026
  C      -3.466087      4.689521      3.971849
  C      -4.770135      4.376170      3.219018
  C      -4.691382      4.863853      1.781758
  O      -5.821192      4.446797      0.986283
  C      -6.993211      5.082181      1.136142
  C      -7.224346      6.190574      1.941818
  C      -8.517220      6.749587      1.990762
  N      -9.574612      6.299957      1.332883
  C      -9.365325      5.214718      0.527467
  C     -10.452098      4.685967     -0.209539
  C     -10.244266      3.604962     -1.037899
  C      -8.947098      3.053552     -1.125597
  N      -7.901143      3.502952     -0.448857
  C      -8.097250      4.566572      0.373622
  C      -6.521755      2.612437      7.064155
  C      -6.735273      4.141428      6.916553
  C      -8.009626      4.457006      6.152992
  O      -7.842395      3.835036      4.862451
  C      -8.921675      3.462755      4.157449
  C     -10.206771      3.954975      4.326005
  C     -11.237867      3.463635      3.497870
  N     -11.093835      2.527500      2.572665
  C      -9.838219      2.009267      2.419606
  C      -9.632638      0.963762      1.486794
  C      -8.372248      0.426096      1.348396
  C      -7.315718      0.937660      2.133250
  N      -7.456329      1.908974      3.026522
  C      -8.700642      2.444369      3.171292
  H      -4.654149     -1.706858      4.852963
  H      -5.202655     -0.408823      3.778362
  H      -2.703651     -2.156957      3.368874
  H      -4.233794     -2.280117      2.493100
  H      -2.402685     -1.091607      1.217253
  H      -2.402099      0.196809      2.467363
  H      -5.650446      0.104038     -0.731108
  H      -5.513500      1.726398     -2.616192
  H      -1.982670      4.513938     -1.779140
  H      -0.391601      4.811048      0.166574
  H      -0.601716      3.272974      2.127471
  H      -2.677436      5.002716      3.254102
  H      -3.621903      5.561045      4.641113
  H      -5.645606      4.802834      3.721228
  H      -4.922855      3.277129      3.192767
  H      -3.828143      4.416499      1.274995
  H      -4.584333      5.960887      1.725539
  H      -6.433293      6.638597      2.540163
  H      -8.681858      7.625270      2.628403
  H     -11.430844      5.154167     -0.094969
  H     -11.060135      3.170364     -1.617276
  H      -8.764822      2.194551     -1.779982
  H      -6.972632      2.269101      8.017342
  H      -7.068068      2.114476      6.249763
  H      -5.881578      4.549422      6.351064
  H      -6.759749      4.652085      7.891556
  H      -8.172493      5.539910      6.026433
  H      -8.894921      4.024852      6.649948
  H     -10.431002      4.720624      5.067833
  H     -12.244395      3.879298      3.612851
  H     -10.487661      0.615985      0.904776
  H      -8.172898     -0.377859      0.638057
  H      -6.309793      0.527125      2.020523
98
Coordinates from ORCA-job orca E -6374.102551344180
  N      -3.525754      0.087326      4.870757
  Mo     -4.074016      1.951887      5.310033
  N      -5.136068      2.183650      6.962258
  C      -4.392241      2.261572      8.221395
  C      -3.104143      1.465617      8.063817
  N      -2.492332      1.772332      6.730586
  C      -1.614455      0.667137      6.248993
  C      -2.461941     -0.469457      5.696530
  C      -1.770759      3.079704      6.761283
  C      -1.725445      3.687663      5.364308
  N      -3.034483      3.538616      4.739005
  H      -1.791047     -1.142906      5.128865
  H      -2.880054     -1.086605      6.522326
  H      -0.998184      1.086631      5.441656
  H      -0.945845      0.322504      7.058547
  H      -1.433348      4.750120      5.464304
  H      -0.932689      3.205804      4.755973
  H      -2.348667      3.745223      7.416666
  H      -0.764846      2.943916      7.197172
  H      -4.971381      1.828734      9.060180
  H      -4.167748      3.309981      8.513787
  H      -3.341491      0.393006      8.063225
  H      -2.381188      1.667005      8.873555
  C      -4.314580     -0.904813      4.163253
  C      -3.574112     -1.571550      2.985369
  C      -3.012312     -0.587735      1.980665
  O      -4.144933      0.048370      1.318792
  C      -3.950214      0.936274      0.311306
  C      -4.849164      0.885733     -0.745909
  C      -4.747640      1.802157     -1.804511
  N      -3.818196      2.745529     -1.897901
  C      -2.940355      2.833148     -0.860218
  C      -1.961307      3.859502     -0.885973
  C      -1.111193      4.017566      0.188816
  C      -1.241114      3.145661      1.290264
  N      -2.118100      2.151876      1.353580
  C      -2.957907      1.971922      0.295013
  C      -3.457049      4.677336      3.936772
  C      -4.763130      4.361507      3.187857
  C      -4.701496      4.877619      1.759872
  O      -5.829228      4.454851      0.963953
  C      -7.008249      5.076695      1.118091
  C      -7.248564      6.183267      1.923765
  C      -8.546919      6.728708      1.976291
  N      -9.602141      6.265040      1.324566
  C      -9.384522      5.179966      0.521255
  C     -10.470171      4.634413     -0.205064
  C     -10.254337      3.553374     -1.031498
  C      -8.950539      3.020026     -1.128938
  N      -7.904877      3.484703     -0.461599
  C      -8.109063      4.547551      0.360366
  C      -6.523132      2.610166      7.068108
  C      -6.727379      4.141720      6.934134
  C      -8.003332      4.471507      6.179458
  O      -7.842063      3.861708      4.882393
  C      -8.922688      3.486690      4.180311
  C     -10.209215      3.974190      4.352880
  C     -11.238251      3.488007      3.519486
  N     -11.090931      2.560441      2.585913
  C      -9.835201      2.042992      2.432390
  C      -9.628184      1.002304      1.494513
  C      -8.368494      0.461608      1.360274
  C      -7.314362      0.966934      2.151720
  N      -7.455201      1.935623      3.048306
  C      -8.699301      2.473023      3.190026
  H      -4.670998     -1.702939      4.848594
  H      -5.216132     -0.406175      3.771458
  H      -2.728610     -2.170318      3.362583
  H      -4.258183     -2.275156      2.483491
  H      -2.423732     -1.109011      1.207183
  H      -2.390787      0.175511      2.461422
  H      -5.631847      0.126385     -0.741285
  H      -5.468659      1.748234     -2.626097
  H      -1.927322      4.514344     -1.758182
  H      -0.355471      4.804572      0.203883
  H      -0.597631      3.272750      2.165424
  H      -2.660588      4.956079      3.213453
  H      -3.601269      5.570873      4.579022
  H      -5.641076      4.764594      3.704202
  H      -4.896472      3.260912      3.141222
  H      -3.834404      4.452946      1.239927
  H      -4.612429      5.976976      1.721546
  H      -6.460117      6.641209      2.517960
  H      -8.718693      7.604643      2.611698
  H     -11.454350      5.089204     -0.083308
  H     -11.068902      3.104741     -1.602024
  H      -8.762883      2.161576     -1.782445
  H      -6.973522      2.263778      8.020378
  H      -7.074663      2.121291      6.251961
  H      -5.874074      4.548341      6.367055
  H      -6.741862      4.643986      7.913739
  H      -8.162450      5.556078      6.063760
  H      -8.888285      4.038182      6.675893
  H     -10.435152      4.734280      5.099908
  H     -12.245126      3.902978      3.633871
  H     -10.481312      0.660697      0.906119
  H      -8.167646     -0.339340      0.646850
  H      -6.309372      0.554798      2.040847
98
Coordinates from ORCA-job orca E -6374.102979504872
  N      -3.514915      0.094387      4.875786
  Mo     -4.068899      1.955707      5.316444
  N      -5.137383      2.167130      6.966880
  C      -4.398515      2.240786      8.229748
  C      -3.102316      1.457576      8.070249
  N      -2.490204      1.779377      6.740705
  C      -1.603832      0.685490      6.249496
  C      -2.442083     -0.456678      5.692766
  C      -1.780619      3.092804      6.781505
  C      -1.738955      3.714555      5.390171
  N      -3.045030      3.556066      4.760015
  H      -1.766472     -1.119594      5.118296
  H      -2.851212     -1.083477      6.515909
  H      -0.993805      1.116835      5.443490
  H      -0.928907      0.340926      7.053982
  H      -1.460860      4.779693      5.502351
  H      -0.938043      3.249248      4.779333
  H      -2.365010      3.747713      7.441597
  H      -0.773681      2.963112      7.216484
  H      -4.977716      1.795279      9.061762
  H      -4.185460      3.288678      8.532287
  H      -3.330894      0.383132      8.061342
  H      -2.382770      1.658829      8.882987
  C      -4.308762     -0.898108      4.175189
  C      -3.582216     -1.572860      2.992893
  C      -3.022049     -0.597189      1.979188
  O      -4.156088      0.055304      1.336247
  C      -3.962308      0.933260      0.319411
  C      -4.865274      0.879405     -0.733884
  C      -4.761483      1.786641     -1.800681
  N      -3.825052      2.722217     -1.905183
  C      -2.943771      2.813637     -0.870650
  C      -1.956661      3.832205     -0.908628
  C      -1.104769      3.995794      0.163891
  C      -1.241967      3.138292      1.276083
  N      -2.124962      2.150639      1.350058
  C      -2.965458      1.964373      0.293043
  C      -3.446683      4.672930      3.917336
  C      -4.755315      4.354424      3.176227
  C      -4.709723      4.877589      1.750336
  O      -5.843409      4.453674      0.963430
  C      -7.021473      5.077648      1.117722
  C      -7.259556      6.184657      1.923391
  C      -8.555010      6.737220      1.970129
  N      -9.608566      6.281698      1.309764
  C      -9.392353      5.197883      0.504642
  C     -10.475380      4.666198     -0.235793
  C     -10.259465      3.589932     -1.068683
  C      -8.959506      3.045155     -1.154812
  N      -7.916428      3.496811     -0.474705
  C      -8.120088      4.556519      0.351845
  C      -6.525300      2.592294      7.071088
  C      -6.731151      4.124616      6.955134
  C      -8.008072      4.461614      6.204238
  O      -7.842791      3.875486      4.895860
  C      -8.919764      3.485328      4.193442
  C     -10.210877      3.961335      4.365413
  C     -11.233587      3.472537      3.526340
  N     -11.075643      2.552456      2.586697
  C      -9.816505      2.043765      2.435003
  C      -9.601050      1.006187      1.495308
  C      -8.337938      0.472222      1.364645
  C      -7.290315      0.979748      2.162204
  N      -7.438959      1.944655      3.061998
  C      -8.685831      2.476944      3.199854
  H      -4.662121     -1.692570      4.866408
  H      -5.212219     -0.399540      3.787490
  H      -2.739656     -2.180057      3.362810
  H      -4.278007     -2.269252      2.497126
  H      -2.457531     -1.131067      1.196181
  H      -2.379061      0.156381      2.446539
  H      -5.653401      0.125701     -0.718785
  H      -5.485121      1.730439     -2.619743
  H      -1.917762      4.477121     -1.788023
  H      -0.342182      4.776256      0.169911
  H      -0.596740      3.270570      2.149479
  H      -2.644897      4.913219      3.186381
  H      -3.576598      5.590536      4.528080
  H      -5.631063      4.748450      3.702868
  H      -4.877801      3.254328      3.125775
  H      -3.846735      4.457420      1.219828
  H      -4.625224      5.977266      1.715271
  H      -6.471320      6.638355      2.521076
  H      -8.725697      7.613817      2.604816
  H     -11.456595      5.129256     -0.121833
  H     -11.070657      3.154896     -1.654580
  H      -8.771963      2.190806     -1.813581
  H      -6.979816      2.235552      8.017475
  H      -7.072115      2.112693      6.246719
  H      -5.878413      4.538741      6.392559
  H      -6.744380      4.614489      7.941105
  H      -8.171732      5.547138      6.106865
  H      -8.891406      4.016289      6.692724
  H     -10.443640      4.716764      5.115094
  H     -12.243424      3.881142      3.636836
  H     -10.450866      0.659585      0.905420
  H      -8.130470     -0.326878      0.650987
  H      -6.283539      0.571534      2.055577
98
Coordinates from ORCA-job orca E -6374.090920601304
  N      -3.460811      0.068825      4.881382
  Mo     -4.051517      1.931681      5.292564
  N      -5.101462      2.189665      6.940432
  C      -4.335210      2.308810      8.180027
  C      -3.033320      1.535762      8.019786
  N      -2.439952      1.824218      6.675985
  C      -1.539551      0.730079      6.202430
  C      -2.360265     -0.442204      5.690631
  C      -1.740475      3.145274      6.659782
  C      -1.724355      3.715622      5.245806
  N      -3.031700      3.523242      4.652292
  H      -1.680832     -1.103298      5.117653
  H      -2.737159     -1.056477      6.537863
  H      -0.955408      1.148462      5.374126
  H      -0.845636      0.430495      7.008561
  H      -1.457658      4.788429      5.308596
  H      -0.932142      3.236060      4.632304
  H      -2.318237      3.817113      7.311484
  H      -0.726588      3.032852      7.083928
  H      -4.894660      1.884369      9.037701
  H      -4.122474      3.367639      8.444436
  H      -3.243917      0.458294      8.046893
  H      -2.303044      1.774206      8.812835
  C      -4.228039     -0.972061      4.217786
  C      -3.478006     -1.625539      3.054586
  C      -3.001116     -0.594920      2.065658
  O      -4.195949     -0.018797      1.478052
  C      -4.077124      0.922208      0.519559
  C      -5.001511      0.916429     -0.521130
  C      -4.949239      1.920516     -1.497382
  N      -4.054458      2.902884     -1.524945
  C      -3.155411      2.932584     -0.494743
  C      -2.202826      3.977296     -0.437133
  C      -1.326497      4.051426      0.639532
  C      -1.408662      3.079908      1.651903
  N      -2.273706      2.066192      1.635510
  C      -3.129699      1.975181      0.574727
  C      -3.441752      4.590220      3.772424
  C      -4.718916      4.243082      3.060502
  C      -4.664857      4.756820      1.630195
  O      -5.791780      4.325115      0.863512
  C      -6.924679      4.980521      1.073730
  C      -7.091242      6.052700      1.930272
  C      -8.365172      6.651986      2.031010
  N      -9.456910      6.269763      1.384482
  C      -9.304309      5.208826      0.531872
  C     -10.416443      4.731201     -0.205421
  C     -10.252622      3.676965     -1.075174
  C      -8.968077      3.097063     -1.208642
  N      -7.910268      3.502074     -0.534383
  C      -8.065538      4.533288      0.325568
  C      -6.491198      2.603797      6.991809
  C      -6.697557      4.127006      6.804472
  C      -7.954116      4.439658      6.013750
  O      -7.785938      3.838530      4.709473
  C      -8.889252      3.451467      4.059430
  C     -10.163217      3.918249      4.323294
  C     -11.244703      3.438259      3.551323
  N     -11.158807      2.531852      2.594658
  C      -9.908804      2.031939      2.349138
  C      -9.753657      1.017573      1.374367
  C      -8.506495      0.492471      1.137947
  C      -7.401433      0.988553      1.876763
  N      -7.499349      1.930386      2.797398
  C      -8.728204      2.454336      3.036514
  H      -4.535012     -1.765724      4.934164
  H      -5.158156     -0.519046      3.838570
  H      -2.595918     -2.176067      3.422882
  H      -4.128393     -2.371426      2.565663
  H      -2.393526     -1.033381      1.257590
  H      -2.425250      0.202298      2.561146
  H      -5.758512      0.133732     -0.569257
  H      -5.684101      1.909643     -2.309582
  H      -2.201799      4.708877     -1.246242
  H      -0.586924      4.850790      0.712118
  H      -0.742448      3.135915      2.523087
  H      -2.658164      4.797383      3.015354
  H      -3.564160      5.529634      4.348601
  H      -5.598929      4.647213      3.608023
  H      -4.853153      3.132989      3.039133
  H      -3.805305      4.339450      1.097640
  H      -4.578564      5.859473      1.582925
  H      -6.264278      6.438937      2.528692
  H      -8.482297      7.502296      2.712861
  H     -11.381000      5.218950     -0.054251
  H     -11.089769      3.285019     -1.653182
  H      -8.800938      2.255659     -1.893478
  H      -6.959673      2.271569      7.941279
  H      -7.019493      2.084968      6.172011
  H      -5.829464      4.525573      6.250162
  H      -6.745926      4.655626      7.768012
  H      -8.104167      5.526256      5.889756
  H      -8.851043      4.011492      6.493520
  H     -10.347184      4.656938      5.106008
  H     -12.244835      3.837045      3.753499
  H     -10.642363      0.680207      0.835558
  H      -8.350446     -0.288317      0.394172
  H      -6.396187      0.581991      1.697278
98
Coordinates from ORCA-job orca E -6374.094856427966
  N      -3.476500      0.072190      4.887300
  Mo     -4.065405      1.932887      5.308977
  N      -5.111289      2.178020      6.963108
  C      -4.342660      2.287913      8.202314
  C      -3.040379      1.517929      8.033843
  N      -2.451997      1.817875      6.690498
  C      -1.552095      0.728848      6.205796
  C      -2.373973     -0.441783      5.691661
  C      -1.757205      3.141270      6.682575
  C      -1.744965      3.723120      5.273248
  N      -3.051784      3.528676      4.677093
  H      -1.695834     -1.100693      5.114755
  H      -2.749096     -1.059418      6.537268
  H      -0.972874      1.153368      5.376893
  H      -0.853220      0.424745      7.005965
  H      -1.483786      4.796781      5.345372
  H      -0.949724      3.253007      4.656285
  H      -2.336529      3.806373      7.339556
  H      -0.742142      3.030242      7.104080
  H      -4.900308      1.856485      9.057518
  H      -4.130825      3.344905      8.474703
  H      -3.249620      0.440022      8.053426
  H      -2.308456      1.751287      8.826785
  C      -4.242408     -0.964296      4.215674
  C      -3.489721     -1.617343      3.052043
  C      -3.007182     -0.593450      2.057662
  O      -4.196684     -0.020595      1.455908
  C      -4.068373      0.900687      0.478482
  C      -4.974407      0.864499     -0.577168
  C      -4.909188      1.842985     -1.578759
  N      -4.016813      2.827241     -1.617183
  C      -3.137066      2.888776     -0.572386
  C      -2.189905      3.939569     -0.526498
  C      -1.337866      4.050438      0.565450
  C      -1.438294      3.109299      1.605173
  N      -2.295668      2.089378      1.599715
  C      -3.127591      1.961469      0.523853
  C      -3.446278      4.580463      3.770587
  C      -4.719213      4.228224      3.047640
  C      -4.671394      4.781618      1.632079
  O      -5.789757      4.353320      0.849854
  C      -6.937419      4.981976      1.067979
  C      -7.131412      6.031125      1.947654
  C      -8.417619      6.602519      2.052787
  N      -9.496917      6.212332      1.390036
  C      -9.317575      5.173406      0.515972
  C     -10.416163      4.688820     -0.236835
  C     -10.225882      3.656539     -1.127767
  C      -8.928968      3.106592     -1.266641
  N      -7.882366      3.518687     -0.578812
  C      -8.063618      4.527915      0.302592
  C      -6.498251      2.599868      7.028900
  C      -6.697709      4.127279      6.864910
  C      -7.956571      4.455656      6.084816
  O      -7.787557      3.876479      4.771434
  C      -8.885229      3.488972      4.112367
  C     -10.165709      3.938930      4.375541
  C     -11.236441      3.460488      3.588101
  N     -11.133858      2.570308      2.617439
  C      -9.877640      2.085276      2.374147
  C      -9.706123      1.084747      1.387949
  C      -8.452300      0.572529      1.157100
  C      -7.358146      1.068367      1.910929
  N      -7.469915      1.998755      2.842506
  C      -8.706384      2.508771      3.077001
  H      -4.552878     -1.760594      4.927412
  H      -5.170840     -0.509029      3.834699
  H      -2.609225     -2.168461      3.423080
  H      -4.140196     -2.362932      2.563027
  H      -2.397852     -1.042923      1.256839
  H      -2.430874      0.206052      2.547824
  H      -5.726856      0.076880     -0.617727
  H      -5.629465      1.807606     -2.403131
  H      -2.175276      4.647541     -1.356282
  H      -0.603839      4.855552      0.630371
  H      -0.792964      3.196243      2.489125
  H      -2.651147      4.767074      3.019949
  H      -3.569654      5.532227      4.326184
  H      -5.608296      4.598871      3.601910
  H      -4.828382      3.116945      2.992973
  H      -3.804255      4.392040      1.090542
  H      -4.602299      5.886005      1.615104
  H      -6.316982      6.419986      2.561083
  H      -8.556747      7.435474      2.751663
  H     -11.391444      5.152965     -0.080447
  H     -11.051748      3.259328     -1.718510
  H      -8.741966      2.283832     -1.968517
  H      -6.962711      2.259883      7.977527
  H      -7.034813      2.094093      6.206857
  H      -5.831015      4.529723      6.311294
  H      -6.737281      4.641367      7.836762
  H      -8.108329      5.543791      5.979080
  H      -8.851601      4.018558      6.559992
  H     -10.362459      4.663842      5.167833
  H     -12.241940      3.847026      3.787321
  H     -10.587302      0.747011      0.837424
  H      -8.283047     -0.198137      0.405497
  H      -6.349354      0.671582      1.735466
98
Coordinates from ORCA-job orca E -6374.096582075648
  N      -3.480317      0.066584      4.885255
  Mo     -4.072531      1.926763      5.303033
  N      -5.115163      2.170476      6.960178
  C      -4.344961      2.282672      8.198391
  C      -3.040713      1.516775      8.028099
  N      -2.456377      1.817851      6.683160
  C      -1.554578      0.731402      6.197422
  C      -2.373877     -0.442414      5.686867
  C      -1.767030      3.143889      6.672896
  C      -1.760151      3.725761      5.263757
  N      -3.067330      3.525477      4.668955
  H      -1.694776     -1.099308      5.108845
  H      -2.744784     -1.060663      6.533862
  H      -0.978698      1.157065      5.366575
  H      -0.852612      0.429713      6.995863
  H      -1.503425      4.800539      5.335836
  H      -0.963531      3.259173      4.646032
  H      -2.347806      3.806892      7.330479
  H      -0.750483      3.037780      7.091983
  H      -4.900009      1.849851      9.054496
  H      -4.136012      3.340325      8.470253
  H      -3.246761      0.438260      8.048726
  H      -2.308100      1.752662      8.819662
  C      -4.243973     -0.971587      4.214798
  C      -3.490528     -1.620815      3.048741
  C      -2.994839     -0.594150      2.062640
  O      -4.176717      0.002264      1.468238
  C      -4.039226      0.925844      0.493129
  C      -4.956156      0.909902     -0.553252
  C      -4.885095      1.891428     -1.551712
  N      -3.976695      2.860467     -1.595723
  C      -3.084722      2.902291     -0.560878
  C      -2.117339      3.935048     -0.524040
  C      -1.248847      4.024844      0.555835
  C      -1.354428      3.082036      1.594059
  N      -2.231208      2.079328      1.597399
  C      -3.078773      1.970467      0.532075
  C      -3.463331      4.571080      3.754968
  C      -4.738182      4.214224      3.032154
  C      -4.693642      4.765906      1.615523
  O      -5.816963      4.342843      0.835487
  C      -6.962966      4.978646      1.049766
  C      -7.152002      6.035194      1.922489
  C      -8.435217      6.613380      2.024790
  N      -9.516175      6.224395      1.364329
  C      -9.342167      5.179878      0.496159
  C     -10.443883      4.698387     -0.253778
  C     -10.259755      3.660945     -1.140077
  C      -8.966359      3.102637     -1.276563
  N      -7.916351      3.511193     -0.590842
  C      -8.091367      4.526042      0.286274
  C      -6.502019      2.592256      7.033848
  C      -6.701354      4.121057      6.879143
  C      -7.964139      4.454284      6.107708
  O      -7.799036      3.880851      4.791891
  C      -8.896430      3.491448      4.133111
  C     -10.177920      3.941469      4.392790
  C     -11.246034      3.461925      3.602772
  N     -11.139598      2.570701      2.633046
  C      -9.882775      2.085296      2.394315
  C      -9.708132      1.083136      1.410336
  C      -8.453122      0.570964      1.184905
  C      -7.361902      1.068159      1.941156
  N      -7.475651      2.000409      2.871308
  C      -8.713750      2.510223      3.100437
  H      -4.553541     -1.769425      4.925118
  H      -5.172955     -0.517380      3.833865
  H      -2.615764     -2.181666      3.418719
  H      -4.145652     -2.356733      2.551607
  H      -2.393846     -1.046612      1.257166
  H      -2.405614      0.191869      2.558647
  H      -5.723269      0.136245     -0.587729
  H      -5.615255      1.872558     -2.367782
  H      -2.099376      4.645500     -1.351674
  H      -0.498033      4.814875      0.613576
  H      -0.695895      3.153126      2.469188
  H      -2.666916      4.753947      3.004626
  H      -3.588510      5.526540      4.304054
  H      -5.627024      4.582779      3.585665
  H      -4.843543      3.103031      2.977056
  H      -3.829675      4.371227      1.071402
  H      -4.619932      5.869765      1.597481
  H      -6.335973      6.424855      2.532771
  H      -8.570312      7.451665      2.717988
  H     -11.416315      5.169146     -0.099595
  H     -11.088006      3.266278     -1.729297
  H      -8.785396      2.275933     -1.975147
  H      -6.963267      2.248910      7.982843
  H      -7.041882      2.090829      6.211932
  H      -5.837833      4.525437      6.322229
  H      -6.734248      4.629894      7.854084
  H      -8.117445      5.542630      6.008234
  H      -8.856413      4.013857      6.584921
  H     -10.376679      4.667929      5.182911
  H     -12.252311      3.848606      3.797567
  H     -10.587325      0.744207      0.857600
  H      -8.280903     -0.200862      0.435001
  H      -6.353390      0.671304      1.769065
98
Coordinates from ORCA-job orca E -6374.098567752855
  N      -3.483476      0.065418      4.890892
  Mo     -4.082158      1.922592      5.312244
  N      -5.121307      2.151116      6.975319
  C      -4.349508      2.258364      8.213212
  C      -3.040691      1.502692      8.035096
  N      -2.463222      1.817694      6.690444
  C      -1.555570      0.742026      6.193953
  C      -2.368703     -0.436608      5.684903
  C      -1.787087      3.149976      6.687033
  C      -1.787429      3.741753      5.282179
  N      -3.092208      3.530089      4.683737
  H      -1.687525     -1.086977      5.102102
  H      -2.730781     -1.059796      6.532119
  H      -0.989245      1.176539      5.360792
  H      -0.845112      0.442063      6.985595
  H      -1.543741      4.819079      5.363145
  H      -0.984115      3.289888      4.662077
  H      -2.373597      3.803250      7.348942
  H      -0.768785      3.052237      7.103616
  H      -4.900539      1.815851      9.066803
  H      -4.147164      3.315273      8.492857
  H      -3.239339      0.422671      8.048777
  H      -2.307823      1.738024      8.826505
  C      -4.243964     -0.976473      4.223149
  C      -3.490936     -1.626438      3.055064
  C      -2.990328     -0.605950      2.063556
  O      -4.168194     -0.004097      1.466653
  C      -4.025926      0.906396      0.478334
  C      -4.936472      0.872573     -0.572642
  C      -4.864987      1.841264     -1.583984
  N      -3.962023      2.814937     -1.635134
  C      -3.076877      2.875957     -0.596005
  C      -2.117965      3.917281     -0.566726
  C      -1.258174      4.028199      0.517074
  C      -1.364420      3.098568      1.567671
  N      -2.232161      2.088545      1.578744
  C      -3.070692      1.957769      0.508976
  C      -3.470011      4.551287      3.733477
  C      -4.737144      4.184790      2.995152
  C      -4.696495      4.771576      1.592438
  O      -5.815754      4.358405      0.799350
  C      -6.970333      4.979526      1.019715
  C      -7.174088      6.019045      1.910384
  C      -8.463481      6.581778      2.018302
  N      -9.537831      6.191830      1.347804
  C      -9.350279      5.163585      0.463514
  C     -10.446398      4.681267     -0.293773
  C     -10.249962      3.659197     -1.195498
  C      -8.950310      3.118152     -1.340040
  N      -7.904337      3.527543     -0.647767
  C      -8.091353      4.527025      0.245351
  C      -6.507063      2.574305      7.063545
  C      -6.704877      4.106555      6.938159
  C      -7.973533      4.454099      6.183705
  O      -7.810482      3.906650      4.857424
  C      -8.902892      3.518816      4.189568
  C     -10.189585      3.957034      4.445690
  C     -11.246560      3.485949      3.636171
  N     -11.124009      2.614053      2.650288
  C      -9.862636      2.138114      2.417010
  C      -9.672455      1.154393      1.417474
  C      -8.412614      0.649891      1.200599
  C      -7.333395      1.136309      1.979484
  N      -7.459819      2.053322      2.924051
  C      -8.703759      2.555254      3.144611
  H      -4.549596     -1.774740      4.934473
  H      -5.175464     -0.526508      3.843039
  H      -2.617738     -2.189418      3.425283
  H      -4.148777     -2.360327      2.558880
  H      -2.395863     -1.069524      1.259350
  H      -2.393046      0.177037      2.553439
  H      -5.700634      0.095586     -0.599437
  H      -5.590901      1.808512     -2.403197
  H      -2.099688      4.617275     -1.403283
  H      -0.513795      4.824650      0.569635
  H      -0.714002      3.187823      2.446751
  H      -2.658528      4.708896      2.993367
  H      -3.599201      5.522620      4.253488
  H      -5.635696      4.520619      3.550767
  H      -4.816704      3.074050      2.910092
  H      -3.827949      4.397825      1.039875
  H      -4.633333      5.875792      1.601773
  H      -6.365139      6.406528      2.530826
  H      -8.610194      7.407197      2.724375
  H     -11.424264      5.138186     -0.132704
  H     -11.073502      3.263879     -1.791031
  H      -8.760665      2.305033     -2.051799
  H      -6.963958      2.218519      8.010038
  H      -7.052525      2.086754      6.237615
  H      -5.846249      4.519612      6.380173
  H      -6.726815      4.596994      7.922898
  H      -8.131457      5.543345      6.106171
  H      -8.861071      4.001303      6.658007
  H     -10.399857      4.669753      5.245082
  H     -12.256858      3.864836      3.825168
  H     -10.543126      0.822940      0.847258
  H      -8.227728     -0.108399      0.439759
  H      -6.323266      0.743946      1.814080
98
Coordinates from ORCA-job orca E -6374.100570673722
  N      -3.474762      0.073516      4.889533
  Mo     -4.086198      1.923504      5.325539
  N      -5.120144      2.122693      6.996264
  C      -4.345039      2.218877      8.232987
  C      -3.028939      1.479848      8.039545
  N      -2.461162      1.821087      6.697025
  C      -1.542972      0.764384      6.180475
  C      -2.344433     -0.420316      5.666303
  C      -1.803950      3.162656      6.709400
  C      -1.817577      3.775035      5.313378
  N      -3.119685      3.549557      4.712497
  H      -1.659962     -1.054573      5.069925
  H      -2.689172     -1.057957      6.510088
  H      -0.990575      1.216580      5.347130
  H      -0.820936      0.465350      6.961996
  H      -1.592914      4.855287      5.410644
  H      -1.006870      3.347451      4.685554
  H      -2.396672      3.798385      7.382506
  H      -0.782680      3.073967      7.120377
  H      -4.889186      1.758704      9.081574
  H      -4.152660      3.273572      8.527609
  H      -3.215656      0.397630      8.038494
  H      -2.295589      1.711820      8.831445
  C      -4.236948     -0.973380      4.231764
  C      -3.496952     -1.625226      3.055153
  C      -2.997647     -0.610425      2.056387
  O      -4.173786      0.003719      1.469166
  C      -4.027498      0.899711      0.466995
  C      -4.938748      0.853824     -0.582656
  C      -4.862407      1.805384     -1.610149
  N      -3.955472      2.774555     -1.676289
  C      -3.070371      2.849121     -0.638200
  C      -2.108932      3.888746     -0.624973
  C      -1.248244      4.013446      0.456182
  C      -1.356084      3.099548      1.520625
  N      -2.226716      2.092187      1.547883
  C      -3.067058      1.947872      0.480918
  C      -3.488694      4.552955      3.739472
  C      -4.740479      4.169821      2.981378
  C      -4.697904      4.779824      1.588570
  O      -5.803727      4.362006      0.778048
  C      -6.976321      4.950107      0.999616
  C      -7.218767      5.960834      1.914238
  C      -8.523575      6.487450      2.018915
  N      -9.577935      6.089417      1.321861
  C      -9.351869      5.090833      0.413192
  C     -10.424109      4.605341     -0.375464
  C     -10.188367      3.616306     -1.304592
  C      -8.873927      3.110093     -1.442791
  N      -7.849242      3.522926     -0.721290
  C      -8.074446      4.491040      0.197445
  C      -6.506020      2.542281      7.099597
  C      -6.703998      4.077469      7.014576
  C      -7.975561      4.445912      6.275202
  O      -7.816453      3.932375      4.935032
  C      -8.909047      3.566665      4.254560
  C     -10.192112      4.018018      4.507107
  C     -11.246974      3.578046      3.677754
  N     -11.125540      2.725805      2.674408
  C      -9.868930      2.235777      2.444700
  C      -9.682321      1.270790      1.426390
  C      -8.427905      0.750955      1.214337
  C      -7.351706      1.200177      2.018506
  N      -7.473820      2.099006      2.981708
  C      -8.712516      2.618836      3.195044
  H      -4.530643     -1.771598      4.948062
  H      -5.175056     -0.528208      3.861928
  H      -2.623542     -2.192920      3.417319
  H      -4.163838     -2.354941      2.565128
  H      -2.417662     -1.083928      1.247231
  H      -2.385853      0.166426      2.536951
  H      -5.706531      0.079909     -0.596365
  H      -5.588228      1.762777     -2.428892
  H      -2.088740      4.576136     -1.471919
  H      -0.501160      4.808081      0.496197
  H      -0.703235      3.199391      2.397116
  H      -2.664662      4.704317      3.012120
  H      -3.633306      5.531543      4.242022
  H      -5.651181      4.476831      3.531703
  H      -4.793611      3.060355      2.877880
  H      -3.818736      4.428792      1.037373
  H      -4.653228      5.884297      1.617063
  H      -6.429276      6.351503      2.556659
  H      -8.701355      7.289696      2.744226
  H     -11.414860      5.035025     -0.218245
  H     -10.992161      3.222132     -1.927389
  H      -8.652622      2.326118     -2.177325
  H      -6.959709      2.164813      8.039255
  H      -7.054386      2.074600      6.264703
  H      -5.848351      4.504277      6.462640
  H      -6.719551      4.541685      8.012170
  H      -8.133107      5.536678      6.225833
  H      -8.861649      3.982047      6.741407
  H     -10.399749      4.720007      5.316599
  H     -12.253731      3.968029      3.862855
  H     -10.550941      0.964660      0.839302
  H      -8.245489      0.005836      0.439936
  H      -6.348280      0.790523      1.859316
98
Coordinates from ORCA-job orca E -6374.101884137135
  N      -3.482478      0.078187      4.890250
  Mo     -4.097743      1.925446      5.331400
  N      -5.122718      2.109018      7.009947
  C      -4.341827      2.201501      8.243354
  C      -3.021696      1.473202      8.037863
  N      -2.464877      1.827377      6.694074
  C      -1.543219      0.781393      6.163415
  C      -2.339788     -0.408161      5.653152
  C      -1.819531      3.174134      6.710717
  C      -1.846466      3.796775      5.319713
  N      -3.148474      3.561719      4.721059
  H      -1.655806     -1.034403      5.047851
  H      -2.670604     -1.051859      6.497938
  H      -1.004122      1.242458      5.326028
  H      -0.809863      0.484772      6.935346
  H      -1.634054      4.878880      5.425886
  H      -1.032788      3.384706      4.685068
  H      -2.413555      3.800255      7.391438
  H      -0.794871      3.092573      7.114422
  H      -4.878688      1.731725      9.091261
  H      -4.155509      3.255373      8.544753
  H      -3.200536      0.389707      8.030807
  H      -2.285609      1.705254      8.827152
  C      -4.248031     -0.972796      4.243759
  C      -3.518006     -1.629944      3.063327
  C      -3.011080     -0.621140      2.061687
  O      -4.180578      0.012599      1.482050
  C      -4.022212      0.896602      0.469865
  C      -4.929253      0.846723     -0.582894
  C      -4.838130      1.783713     -1.622781
  N      -3.919902      2.741404     -1.698058
  C      -3.039029      2.821021     -0.657102
  C      -2.066484      3.850485     -0.654434
  C      -1.210476      3.981715      0.429048
  C      -1.334115      3.084845      1.506457
  N      -2.214696      2.086586      1.544164
  C      -3.050728      1.935524      0.474832
  C      -3.501254      4.543054      3.719561
  C      -4.743015      4.147923      2.948550
  C      -4.708141      4.791167      1.570331
  O      -5.806046      4.376398      0.745724
  C      -6.989358      4.942680      0.972147
  C      -7.251255      5.931545      1.905663
  C      -8.564532      6.434740      2.016487
  N      -9.609902      6.033611      1.308112
  C      -9.364997      5.057840      0.380041
  C     -10.428061      4.571391     -0.420023
  C     -10.174642      3.606539     -1.369711
  C      -8.851779      3.125855     -1.517333
  N      -7.834592      3.538780     -0.784445
  C      -8.077131      4.483221      0.155389
  C      -6.507850      2.527106      7.127243
  C      -6.706815      4.063624      7.069225
  C      -7.984328      4.442322      6.346211
  O      -7.828528      3.954142      4.996577
  C      -8.917983      3.586247      4.312378
  C     -10.206671      4.017012      4.573102
  C     -11.254576      3.582713      3.732115
  N     -11.120261      2.755193      2.709468
  C      -9.857968      2.283515      2.472724
  C      -9.657198      1.345955      1.431587
  C      -8.396205      0.844495      1.213026
  C      -7.328550      1.283083      2.033761
  N      -7.462825      2.157912      3.017801
  C      -8.708306      2.661130      3.236211
  H      -4.535785     -1.768104      4.965597
  H      -5.189438     -0.530048      3.878906
  H      -2.648802     -2.206424      3.421703
  H      -4.194407     -2.352213      2.575572
  H      -2.445402     -1.105156      1.248476
  H      -2.382406      0.145046      2.537101
  H      -5.704949      0.080542     -0.589527
  H      -5.560467      1.738061     -2.444310
  H      -2.034428      4.525578     -1.510896
  H      -0.455038      4.768759      0.461576
  H      -0.685115      3.191112      2.384548
  H      -2.664552      4.675648      3.002929
  H      -3.651486      5.533349      4.197390
  H      -5.661690      4.421298      3.501412
  H      -4.768253      3.041119      2.818474
  H      -3.822363      4.465830      1.013128
  H      -4.680540      5.895091      1.624957
  H      -6.470808      6.321533      2.559059
  H      -8.757979      7.218963      2.757280
  H     -11.426076      4.980872     -0.255125
  H     -10.971144      3.213018     -2.002178
  H      -8.617107      2.362638     -2.269297
  H      -6.957084      2.136612      8.063818
  H      -7.060343      2.071810      6.288774
  H      -5.856825      4.500369      6.516420
  H      -6.713218      4.510503      8.074858
  H      -8.147079      5.532954      6.317880
  H      -8.865576      3.966120      6.809170
  H     -10.423184      4.700101      5.396316
  H     -12.266249      3.957173      3.922281
  H     -10.519628      1.046183      0.832188
  H      -8.202181      0.121516      0.420586
  H      -6.321373      0.885670      1.869677
98
Coordinates from ORCA-job orca E -6374.103488721783
  N      -3.482898      0.093484      4.884355
  Mo     -4.102443      1.935373      5.337309
  N      -5.123440      2.091948      7.021683
  C      -4.340916      2.171329      8.255172
  C      -3.015720      1.455718      8.036059
  N      -2.466241      1.833091      6.695307
  C      -1.537872      0.803242      6.145792
  C      -2.326174     -0.389197      5.627492
  C      -1.834054      3.185805      6.728975
  C      -1.870592      3.829491      5.347852
  N      -3.169679      3.585314      4.743913
  H      -1.641771     -0.998997      5.006174
  H      -2.640516     -1.048807      6.466443
  H      -1.009432      1.280453      5.310192
  H      -0.795532      0.504128      6.908195
  H      -1.674563      4.912961      5.472136
  H      -1.050387      3.440871      4.706648
  H      -2.431204      3.796455      7.420529
  H      -0.807267      3.109112      7.127793
  H      -4.873059      1.684904      9.096548
  H      -4.162565      3.221760      8.572786
  H      -3.187085      0.371227      8.013652
  H      -2.279042      1.681177      8.826664
  C      -4.260460     -0.956675      4.251574
  C      -3.553994     -1.623558      3.060424
  C      -3.034587     -0.625462      2.052922
  O      -4.191717      0.040578      1.483666
  C      -4.014196      0.909389      0.459463
  C      -4.917200      0.858842     -0.596179
  C      -4.808704      1.780323     -1.648626
  N      -3.877131      2.724175     -1.732571
  C      -3.000499      2.807074     -0.688939
  C      -2.018301      3.827763     -0.694837
  C      -1.168051      3.965878      0.391203
  C      -1.306502      3.084401      1.479990
  N      -2.195625      2.094429      1.526480
  C      -3.027348      1.936290      0.454725
  C      -3.500230      4.541534      3.709158
  C      -4.733163      4.132874      2.926851
  C      -4.704079      4.785930      1.553093
  O      -5.795471      4.364366      0.719986
  C      -6.992295      4.907523      0.943161
  C      -7.280739      5.876564      1.890859
  C      -8.604749      6.349155      2.003985
  N      -9.637098      5.938257      1.282856
  C      -9.366346      4.986499      0.337900
  C     -10.416278      4.495413     -0.476074
  C     -10.139132      3.557508     -1.445981
  C      -8.806086      3.108378     -1.599371
  N      -7.799623      3.524142     -0.852145
  C      -8.065071      4.442758      0.108552
  C      -6.508919      2.505494      7.152853
  C      -6.709375      4.042407      7.134504
  C      -7.992259      4.437539      6.429340
  O      -7.844420      3.979834      5.067676
  C      -8.935338      3.617989      4.379955
  C     -10.223861      4.048597      4.644367
  C     -11.270072      3.632180      3.792619
  N     -11.133618      2.824570      2.753911
  C      -9.872671      2.352007      2.513237
  C      -9.670089      1.438182      1.451061
  C      -8.409389      0.936649      1.228385
  C      -7.346024      1.347153      2.067571
  N      -7.481349      2.200295      3.071202
  C      -8.725417      2.708000      3.291130
  H      -4.541134     -1.747923      4.980378
  H      -5.205345     -0.511151      3.898747
  H      -2.693707     -2.219308      3.408392
  H      -4.250192     -2.329721      2.577458
  H      -2.492136     -1.126474      1.233956
  H      -2.379455      0.122396      2.519987
  H      -5.703825      0.103746     -0.594746
  H      -5.527796      1.733621     -2.472635
  H      -1.974997      4.491724     -1.559537
  H      -0.405345      4.746058      0.417887
  H      -0.660643      3.195982      2.359280
  H      -2.650151      4.648847      3.003808
  H      -3.652192      5.546205      4.156155
  H      -5.657330      4.385816      3.476522
  H      -4.737469      3.029206      2.789874
  H      -3.812591      4.473954      0.996371
  H      -4.690086      5.889162      1.616901
  H      -6.513633      6.271241      2.556276
  H      -8.819404      7.115121      2.757762
  H     -11.423152      4.880363     -0.306307
  H     -10.925097      3.163177     -2.091025
  H      -8.554155      2.369702     -2.369609
  H      -6.956947      2.092571      8.080427
  H      -7.062222      2.071012      6.304894
  H      -5.864191      4.493069      6.585954
  H      -6.707637      4.464042      8.151148
  H      -8.155603      5.528185      6.427455
  H      -8.870434      3.950581      6.886678
  H     -10.439565      4.720769      5.476440
  H     -12.281171      4.007335      3.984026
  H     -10.529416      1.157101      0.838562
  H      -8.213223      0.233050      0.419021
  H      -6.341117      0.946542      1.901370
98
Coordinates from ORCA-job orca E -6374.104738493771
  N      -3.486377      0.112719      4.872616
  Mo     -4.111783      1.948382      5.338499
  N      -5.126240      2.078384      7.029682
  C      -4.339928      2.145197      8.261476
  C      -3.010207      1.442984      8.027015
  N      -2.470425      1.843898      6.689104
  C      -1.535227      0.831221      6.120240
  C      -2.315453     -0.364563      5.596481
  C      -1.852196      3.202436      6.739979
  C      -1.900103      3.866043      5.369130
  N      -3.196459      3.613324      4.761082
  H      -1.631772     -0.959686      4.960356
  H      -2.612679     -1.037486      6.431227
  H      -1.019744      1.323694      5.285043
  H      -0.782483      0.531549      6.872203
  H      -1.719518      4.950337      5.510479
  H      -1.074773      3.500641      4.720833
  H      -2.452150      3.796788      7.442935
  H      -0.823115      3.131277      7.133541
  H      -4.865322      1.642700      9.097624
  H      -4.168754      3.192021      8.594325
  H      -3.173136      0.357623      7.989540
  H      -2.272102      1.662674      8.817864
  C      -4.277045     -0.941574      4.263366
  C      -3.597219     -1.625866      3.065345
  C      -3.068698     -0.644960      2.044970
  O      -4.214384      0.052148      1.488607
  C      -4.019462      0.906730      0.453642
  C      -4.921745      0.861374     -0.602402
  C      -4.796760      1.770604     -1.663939
  N      -3.850292      2.698613     -1.755364
  C      -2.973831      2.777885     -0.711855
  C      -1.978689      3.786191     -0.725342
  C      -1.128224      3.922042      0.360011
  C      -1.278133      3.049934      1.454939
  N      -2.180178      2.072254      1.509889
  C      -3.014370      1.917419      0.439712
  C      -3.508598      4.549716      3.701303
  C      -4.730864      4.126881      2.905974
  C      -4.710026      4.804741      1.543962
  O      -5.791103      4.380727      0.695784
  C      -7.002527      4.893507      0.920326
  C      -7.320455      5.833116      1.889138
  C      -8.655958      6.269548      2.007149
  N      -9.673482      5.852299      1.269448
  C      -9.373806      4.934183      0.300863
  C     -10.408424      4.441311     -0.530904
  C     -10.105172      3.537815     -1.525283
  C      -8.761277      3.125388     -1.685732
  N      -7.767360      3.542446     -0.921568
  C      -8.058370      4.427549      0.064177
  C      -6.511139      2.488967      7.175577
  C      -6.711246      4.025661      7.194150
  C      -7.997139      4.435097      6.502853
  O      -7.851164      4.004661      5.132008
  C      -8.939060      3.644678      4.437756
  C     -10.232093      4.063280      4.701625
  C     -11.270677      3.650206      3.838900
  N     -11.122563      2.858815      2.789073
  C      -9.857295      2.398682      2.548088
  C      -9.640986      1.503504      1.472269
  C      -8.374618      1.015581      1.249888
  C      -7.320755      1.416398      2.104929
  N      -7.468912      2.252534      3.121301
  C      -8.717688      2.750452      3.338610
  H      -4.547590     -1.723561      5.005628
  H      -5.226660     -0.496291      3.922717
  H      -2.744837     -2.237301      3.405568
  H      -4.312666     -2.320356      2.594236
  H      -2.552935     -1.165211      1.220627
  H      -2.385580      0.085504      2.498163
  H      -5.720477      0.119040     -0.594391
  H      -5.515440      1.727926     -2.488328
  H      -1.926049      4.443124     -1.594866
  H      -0.355489      4.692369      0.381312
  H      -0.630099      3.158918      2.332251
  H      -2.645856      4.639897      3.008962
  H      -3.665555      5.564064      4.124526
  H      -5.661793      4.348633      3.454877
  H      -4.708238      3.027197      2.751494
  H      -3.810375      4.517994      0.985986
  H      -4.715789      5.906213      1.629027
  H      -6.568122      6.229190      2.569645
  H      -8.893613      7.009982      2.779169
  H     -11.424934      4.796615     -0.354399
  H     -10.879710      3.143864     -2.184078
  H      -8.490087      2.417530     -2.477636
  H      -6.957726      2.054869      8.094258
  H      -7.066417      2.074701      6.319561
  H      -5.869258      4.488647      6.651337
  H      -6.704123      4.424137      8.220095
  H      -8.161593      5.525212      6.523984
  H      -8.873478      3.937798      6.952138
  H     -10.455992      4.724623      5.539921
  H     -12.285552      4.015211      4.029506
  H     -10.492983      1.226683      0.847907
  H      -8.167318      0.328625      0.429006
  H      -6.313222      1.023551      1.940757
98
Coordinates from ORCA-job orca E -6374.105495932652
  N      -3.482171      0.138714      4.853661
  Mo     -4.104838      1.972246      5.322385
  N      -5.132299      2.084005      7.006806
  C      -4.356105      2.139054      8.245993
  C      -3.022768      1.441526      8.013358
  N      -2.474185      1.857267      6.683465
  C      -1.533334      0.853476      6.108721
  C      -2.307751     -0.340634      5.570013
  C      -1.859532      3.216397      6.754459
  C      -1.899391      3.896678      5.391957
  N      -3.189682      3.645447      4.768556
  H      -1.621747     -0.924010      4.925549
  H      -2.600669     -1.026088      6.396232
  H      -1.015635      1.356296      5.280641
  H      -0.782436      0.548046      6.860312
  H      -1.726505      4.980109      5.549818
  H      -1.066188      3.545977      4.745735
  H      -2.464629      3.800820      7.460942
  H      -0.832727      3.143493      7.153276
  H      -4.886476      1.625034      9.071875
  H      -4.191438      3.182164      8.593042
  H      -3.184425      0.356541      7.962292
  H      -2.290636      1.652689      8.812046
  C      -4.293100     -0.912458      4.267055
  C      -3.643029     -1.622973      3.066754
  C      -3.097155     -0.664381      2.033310
  O      -4.224826      0.069773      1.484655
  C      -4.004480      0.913969      0.443939
  C      -4.899603      0.877575     -0.618069
  C      -4.751907      1.777063     -1.685300
  N      -3.789455      2.688316     -1.776228
  C      -2.919623      2.761218     -0.727522
  C      -1.912813      3.758365     -0.740014
  C      -1.070767      3.892056      0.350746
  C      -1.239137      3.027760      1.449543
  N      -2.152048      2.060830      1.504575
  C      -2.980606      1.908749      0.429949
  C      -3.476593      4.574558      3.693622
  C      -4.698400      4.157617      2.891850
  C      -4.678997      4.832434      1.529051
  O      -5.764968      4.407041      0.684239
  C      -6.976607      4.924832      0.909680
  C      -7.284410      5.876485      1.871532
  C      -8.617934      6.312769      2.003662
  N      -9.643918      5.886291      1.284487
  C      -9.355948      4.960149      0.320909
  C     -10.404520      4.458518     -0.486911
  C     -10.118585      3.543807     -1.475643
  C      -8.778014      3.129762     -1.655265
  N      -7.769146      3.553828     -0.912362
  C      -8.042937      4.451040      0.069271
  C      -6.519938      2.488681      7.149003
  C      -6.728944      4.022840      7.182922
  C      -8.022748      4.424904      6.500293
  O      -7.885098      3.995511      5.127539
  C      -8.976249      3.612686      4.446950
  C     -10.271761      4.021927      4.716634
  C     -11.313270      3.586959      3.868641
  N     -11.165107      2.785821      2.825777
  C      -9.897821      2.336640      2.578016
  C      -9.680118      1.436608      1.505691
  C      -8.409238      0.963067      1.274903
  C      -7.354128      1.378095      2.120304
  N      -7.504239      2.218763      3.133614
  C      -8.755792      2.707289      3.356687
  H      -4.564735     -1.680434      5.023225
  H      -5.240975     -0.458556      3.932937
  H      -2.805486     -2.257014      3.402094
  H      -4.382666     -2.299118      2.607034
  H      -2.610733     -1.208378      1.206247
  H      -2.383373      0.043556      2.472791
  H      -5.710778      0.148772     -0.610077
  H      -5.465067      1.740730     -2.514461
  H      -1.845807      4.409731     -1.612725
  H      -0.289737      4.653801      0.373847
  H      -0.596001      3.133956      2.329746
  H      -2.604766      4.645855      3.010166
  H      -3.625648      5.596082      4.102885
  H      -5.627227      4.381642      3.439223
  H      -4.677030      3.060291      2.738694
  H      -3.780144      4.541473      0.971055
  H      -4.683789      5.933516      1.612491
  H      -6.525014      6.281316      2.538071
  H      -8.846402      7.060598      2.771081
  H     -11.417939      4.814831     -0.295745
  H     -10.905134      3.142838     -2.115570
  H      -8.523842      2.414842     -2.445993
  H      -6.971316      2.040703      8.058695
  H      -7.067255      2.084591      6.283437
  H      -5.892808      4.494758      6.639268
  H      -6.719286      4.414924      8.211381
  H      -8.194761      5.513488      6.526219
  H      -8.892617      3.920276      6.953588
  H     -10.494042      4.692650      5.547453
  H     -12.330403      3.943276      4.062789
  H     -10.532872      1.146575      0.888765
  H      -8.200326      0.275626      0.454719
  H      -6.343763      0.994863      1.950518
98
Coordinates from ORCA-job orca E -6374.106308597336
  N      -3.501748      0.157536      4.834735
  Mo     -4.119037      1.987450      5.317058
  N      -5.138835      2.084106      7.007975
  C      -4.357362      2.124693      8.244271
  C      -3.024815      1.430419      7.997185
  N      -2.483038      1.861195      6.669122
  C      -1.543612      0.864769      6.079563
  C      -2.318940     -0.326341      5.533479
  C      -1.871687      3.221621      6.752323
  C      -1.918529      3.917206      5.397919
  N      -3.207904      3.665235      4.771507
  H      -1.637622     -0.898575      4.874182
  H      -2.601418     -1.023846      6.353319
  H      -1.031144      1.376505      5.253382
  H      -0.787902      0.553245      6.823785
  H      -1.752612      5.000174      5.567578
  H      -1.083853      3.580458      4.746240
  H      -2.474641      3.796175      7.468344
  H      -0.842996      3.147692      7.145740
  H      -4.883715      1.600773      9.066479
  H      -4.192092      3.163565      8.603220
  H      -3.186541      0.346115      7.933983
  H      -2.288918      1.632252      8.794847
  C      -4.328814     -0.888015      4.261389
  C      -3.700933     -1.611936      3.056063
  C      -3.130309     -0.668565      2.020681
  O      -4.233622      0.104453      1.473947
  C      -3.981156      0.939055      0.430496
  C      -4.861249      0.913683     -0.644052
  C      -4.679028      1.800934     -1.716481
  N      -3.695605      2.690115     -1.800861
  C      -2.840099      2.754146     -0.740485
  C      -1.812067      3.729863     -0.748369
  C      -0.983764      3.856361      0.352751
  C      -1.185736      3.005423      1.456476
  N      -2.118619      2.057932      1.507939
  C      -2.935727      1.913406      0.423787
  C      -3.476006      4.573141      3.672277
  C      -4.695690      4.147032      2.868925
  C      -4.695227      4.836362      1.513506
  O      -5.778153      4.402814      0.665943
  C      -7.002859      4.890199      0.899711
  C      -7.332559      5.818784      1.877902
  C      -8.675069      6.222684      2.018429
  N      -9.690616      5.788479      1.289612
  C      -9.381998      4.888708      0.308136
  C     -10.420210      4.385129     -0.511639
  C     -10.116243      3.497215     -1.519318
  C      -8.768265      3.112055     -1.705773
  N      -7.767140      3.538711     -0.952674
  C      -8.058387      4.410074      0.048470
  C      -6.524225      2.491587      7.164114
  C      -6.727358      4.025498      7.226895
  C      -8.023238      4.443146      6.556515
  O      -7.891189      4.035877      5.175933
  C      -8.981922      3.648917      4.495172
  C     -10.280451      4.047291      4.768686
  C     -11.320032      3.605232      3.922168
  N     -11.167117      2.808675      2.876318
  C      -9.896735      2.372852      2.622587
  C      -9.672804      1.481550      1.544053
  C      -8.397416      1.022724      1.306817
  C      -7.345105      1.440696      2.153458
  N      -7.501236      2.273294      3.172848
  C      -8.756527      2.750583      3.400334
  H      -4.599669     -1.649398      5.024366
  H      -5.275589     -0.425651      3.935516
  H      -2.880184     -2.269529      3.387588
  H      -4.459973     -2.266593      2.597380
  H      -2.664260     -1.228301      1.192361
  H      -2.392206      0.014199      2.458852
  H      -5.686983      0.201275     -0.642461
  H      -5.380151      1.772484     -2.555993
  H      -1.719090      4.371859     -1.625642
  H      -0.187896      4.602385      0.380719
  H      -0.551894      3.105471      2.343439
  H      -2.596506      4.620230      2.996151
  H      -3.620681      5.605456      4.055879
  H      -5.624340      4.348243      3.422635
  H      -4.655331      3.053846      2.702903
  H      -3.793920      4.564506      0.949025
  H      -4.717183      5.935730      1.610098
  H      -6.583523      6.228556      2.552510
  H      -8.920203      6.950230      2.799958
  H     -11.440247      4.718154     -0.314020
  H     -10.895003      3.095899     -2.168807
  H      -8.501883      2.420399     -2.512597
  H      -6.974783      2.027949      8.066415
  H      -7.075612      2.106667      6.293291
  H      -5.892509      4.503897      6.687282
  H      -6.711579      4.399403      8.262062
  H      -8.192310      5.531328      6.602018
  H      -8.892619      3.932635      7.003766
  H     -10.506048      4.714723      5.600879
  H     -12.340060      3.950857      4.120127
  H     -10.523375      1.186553      0.927058
  H      -8.183537      0.343822      0.480706
  H      -6.332671      1.066215      1.981088
98
Coordinates from ORCA-job orca E -6374.106932059585
  N      -3.536982      0.177983      4.811364
  Mo     -4.137474      2.007932      5.307460
  N      -5.146070      2.103970      7.007275
  C      -4.355561      2.132533      8.237685
  C      -3.030853      1.428942      7.977269
  N      -2.494545      1.861986      6.647729
  C      -1.566018      0.860178      6.049749
  C      -2.355172     -0.321530      5.501219
  C      -1.872042      3.217774      6.735751
  C      -1.919927      3.919876      5.385134
  N      -3.212952      3.678982      4.761453
  H      -1.683872     -0.895862      4.833699
  H      -2.639393     -1.021495      6.318345
  H      -1.052015      1.370343      5.223308
  H      -0.810565      0.539003      6.789976
  H      -1.746088      5.001239      5.557427
  H      -1.090120      3.580815      4.728544
  H      -2.466092      3.792506      7.458809
  H      -0.842218      3.133524      7.123962
  H      -4.878923      1.608444      9.061752
  H      -4.180084      3.168202      8.600743
  H      -3.201790      0.346331      7.909028
  H      -2.288024      1.620249      8.771160
  C      -4.384191     -0.857121      4.246906
  C      -3.776004     -1.598023      3.040177
  C      -3.177231     -0.673519      2.002827
  O      -4.253342      0.135971      1.452422
  C      -3.966704      0.968185      0.413796
  C      -4.835921      0.969933     -0.669641
  C      -4.622960      1.858618     -1.735245
  N      -3.619226      2.726257     -1.804506
  C      -2.771287      2.763107     -0.737484
  C      -1.722275      3.716855     -0.731301
  C      -0.898904      3.816285      0.375347
  C      -1.124501      2.958594      1.468994
  N      -2.078725      2.032222      1.508427
  C      -2.895043      1.916426      0.420568
  C      -3.472229      4.578773      3.650841
  C      -4.692480      4.149501      2.846430
  C      -4.711128      4.859859      1.501967
  O      -5.790265      4.421317      0.649074
  C      -7.026834      4.877899      0.893209
  C      -7.375971      5.786957      1.884076
  C      -8.726168      6.160186      2.032754
  N      -9.733293      5.714486      1.299639
  C      -9.407332      4.833357      0.307325
  C     -10.437794      4.317419     -0.514489
  C     -10.119658      3.444664     -1.530986
  C      -8.765245      3.088301     -1.725086
  N      -7.769414      3.528103     -0.971464
  C      -8.074404      4.384515      0.039228
  C      -6.528724      2.513598      7.181682
  C      -6.729946      4.046877      7.258990
  C      -8.026902      4.467328      6.591798
  O      -7.893648      4.063051      5.210176
  C      -8.980003      3.664152      4.528744
  C     -10.284631      4.048404      4.795086
  C     -11.315716      3.584555      3.949672
  N     -11.149779      2.782533      2.910087
  C      -9.872465      2.366019      2.659548
  C      -9.631197      1.478339      1.581652
  C      -8.347598      1.040682      1.347130
  C      -7.304466      1.475543      2.196207
  N      -7.477442      2.306769      3.214195
  C      -8.740456      2.764553      3.437654
  H      -4.660910     -1.610086      5.015862
  H      -5.326120     -0.381386      3.925920
  H      -2.973558     -2.277075      3.373187
  H      -4.551293     -2.233510      2.582250
  H      -2.726087     -1.247679      1.176233
  H      -2.419283     -0.015146      2.443257
  H      -5.678070      0.277022     -0.680478
  H      -5.317066      1.851758     -2.580957
  H      -1.609942      4.363669     -1.602719
  H      -0.087640      4.544934      0.414544
  H      -0.490971      3.034443      2.358002
  H      -2.589539      4.612041      2.977869
  H      -3.612408      5.616341      4.022287
  H      -5.620000      4.327283      3.407358
  H      -4.637781      3.061060      2.662934
  H      -3.806573      4.611601      0.931360
  H      -4.751095      5.956459      1.616745
  H      -6.636115      6.204097      2.563640
  H      -8.984831      6.871357      2.824794
  H     -11.463580      4.627766     -0.310110
  H     -10.892915      3.032209     -2.180304
  H      -8.490536      2.409132     -2.539103
  H      -6.971934      2.040542      8.082721
  H      -7.088579      2.138579      6.312568
  H      -5.895548      4.528833      6.722582
  H      -6.714030      4.413780      8.296688
  H      -8.196421      5.555097      6.640865
  H      -8.895732      3.954356      7.036752
  H     -10.521823      4.721428      5.619066
  H     -12.340995      3.916297      4.144000
  H     -10.474588      1.169862      0.961909
  H      -8.120675      0.366262      0.520680
  H      -6.286369      1.117306      2.027804
98
Coordinates from ORCA-job orca E -6374.107363602568
  N      -3.573959      0.193540      4.788239
  Mo     -4.157064      2.024673      5.294473
  N      -5.154273      2.122925      7.002263
  C      -4.354598      2.143691      8.226729
  C      -3.037774      1.429993      7.955340
  N      -2.506937      1.861585      6.623129
  C      -1.590716      0.852715      6.018257
  C      -2.393920     -0.320264      5.470547
  C      -1.872497      3.212003      6.710892
  C      -1.921834      3.917454      5.362461
  N      -3.219628      3.688337      4.744308
  H      -1.731911     -0.897794      4.796637
  H      -2.680461     -1.020813      6.286244
  H      -1.075950      1.359670      5.190214
  H      -0.834954      0.523065      6.754327
  H      -1.738455      4.997168      5.535608
  H      -1.098032      3.573511      4.700846
  H      -2.457081      3.789323      7.439480
  H      -0.841236      3.118013      7.092895
  H      -4.875248      1.621994      9.054041
  H      -4.168860      3.177378      8.590243
  H      -3.218207      0.348995      7.885682
  H      -2.287909      1.613177      8.744597
  C      -4.436531     -0.830040      4.225280
  C      -3.838659     -1.583784      3.020451
  C      -3.209898     -0.674338      1.986941
  O      -4.259141      0.166155      1.430218
  C      -3.938593      0.999658      0.401214
  C      -4.792079      1.028765     -0.694045
  C      -4.545436      1.920466     -1.749883
  N      -3.522336      2.766783     -1.798433
  C      -2.687610      2.776241     -0.720857
  C      -1.618306      3.707218     -0.694628
  C      -0.806610      3.779534      0.421981
  C      -1.062890      2.916595      1.504635
  N      -2.037460      2.011359      1.525869
  C      -2.844625      1.923344      0.429051
  C      -3.469666      4.579467      3.623532
  C      -4.693249      4.151592      2.822612
  C      -4.731483      4.878456      1.487474
  O      -5.809920      4.433823      0.635367
  C      -7.052758      4.870830      0.889437
  C      -7.408990      5.773356      1.884167
  C      -8.762566      6.130370      2.040250
  N      -9.767534      5.674156      1.310815
  C      -9.435992      4.796766      0.317241
  C     -10.465412      4.267953     -0.497684
  C     -10.143602      3.396678     -1.514244
  C      -8.786656      3.055457     -1.715837
  N      -7.790455      3.508599     -0.969808
  C      -8.098966      4.363483      0.041752
  C      -6.533359      2.538081      7.191465
  C      -6.729934      4.071708      7.273355
  C      -8.027373      4.494363      6.607530
  O      -7.895317      4.089303      5.225706
  C      -8.979071      3.672467      4.549930
  C     -10.288067      4.042420      4.816362
  C     -11.315476      3.555379      3.979789
  N     -11.142168      2.745105      2.947742
  C      -9.859996      2.345673      2.694925
  C      -9.609632      1.455330      1.621292
  C      -8.320292      1.035537      1.383846
  C      -7.280606      1.490808      2.225930
  N      -7.462447      2.325711      3.239875
  C      -8.731187      2.766725      3.465548
  H      -4.724217     -1.576829      4.996131
  H      -5.371129     -0.340964      3.903276
  H      -3.054817     -2.281975      3.358052
  H      -4.625880     -2.200556      2.557547
  H      -2.768744     -1.259423      1.162669
  H      -2.437502     -0.037816      2.433973
  H      -5.649409      0.355249     -0.721707
  H      -5.228596      1.935915     -2.604303
  H      -1.481651      4.358275     -1.559386
  H       0.019399      4.490364      0.477082
  H      -0.436640      2.969625      2.400094
  H      -2.585841      4.596525      2.951346
  H      -3.601364      5.622445      3.982998
  H      -5.617103      4.312980      3.393602
  H      -4.629673      3.067327      2.623616
  H      -3.826969      4.648706      0.908646
  H      -4.786039      5.972698      1.615449
  H      -6.671734      6.198481      2.561493
  H      -9.025632      6.837016      2.834832
  H     -11.493352      4.566972     -0.287386
  H     -10.916087      2.973084     -2.157499
  H      -8.511207      2.377069     -2.530064
  H      -6.969683      2.062788      8.094617
  H      -7.102062      2.168064      6.326371
  H      -5.895174      4.552530      6.736817
  H      -6.712605      4.437540      8.311452
  H      -8.195956      5.582122      6.656953
  H      -8.896003      3.981571      7.052798
  H     -10.531876      4.721923      5.632908
  H     -12.344693      3.873861      4.175514
  H     -10.450444      1.131286      1.006269
  H      -8.086622      0.360560      0.559646
  H      -6.258131      1.146783      2.056048
98
Coordinates from ORCA-job orca E -6374.107770025932
  N      -3.613002      0.210060      4.761973
  Mo     -4.175430      2.043172      5.278411
  N      -5.160804      2.146237      6.994151
  C      -4.351736      2.158534      8.212428
  C      -3.044797      1.431239      7.930616
  N      -2.518494      1.859477      6.595511
  C      -1.616759      0.841311      5.984255
  C      -2.436835     -0.320892      5.437853
  C      -1.868355      3.202658      6.682657
  C      -1.916761      3.910436      5.335856
  N      -3.220103      3.696897      4.724112
  H      -1.785488     -0.903999      4.758523
  H      -2.728114     -1.020423      6.252607
  H      -1.099916      1.343434      5.154444
  H      -0.861808      0.501713      6.716494
  H      -1.719984      4.987834      5.508705
  H      -1.100438      3.558009      4.669545
  H      -2.442031      3.784593      7.416152
  H      -0.836210      3.096021      7.058873
  H      -4.870711      1.641322      9.043604
  H      -4.153117      3.190069      8.575146
  H      -3.237563      0.352386      7.860350
  H      -2.287458      1.604812      8.714949
  C      -4.491996     -0.799884      4.198606
  C      -3.904432     -1.566489      2.996142
  C      -3.245895     -0.671996      1.967762
  O      -4.268183      0.198557      1.406134
  C      -3.915148      1.038304      0.391997
  C      -4.755749      1.103606     -0.711348
  C      -4.477274      2.004067     -1.751799
  N      -3.434099      2.826719     -1.777505
  C      -2.609707      2.800010     -0.692626
  C      -1.518861      3.705066     -0.643739
  C      -0.715722      3.741441      0.480129
  C      -1.000755      2.867277      1.546477
  N      -1.996680      1.985678      1.546445
  C      -2.797826      1.934302      0.443309
  C      -3.464384      4.585988      3.599262
  C      -4.693646      4.163109      2.803761
  C      -4.749065      4.899225      1.474343
  O      -5.827636      4.445353      0.626155
  C      -7.076147      4.862986      0.889884
  C      -7.439746      5.760875      1.886484
  C      -8.796957      6.100028      2.049989
  N      -9.799556      5.629853      1.326206
  C      -9.461949      4.753835      0.333614
  C     -10.489593      4.208073     -0.472407
  C     -10.163027      3.335806     -1.486590
  C      -8.803283      3.011322     -1.695168
  N      -7.807647      3.481602     -0.958556
  C      -8.120655      4.337552      0.051138
  C      -6.536224      2.567254      7.197665
  C      -6.728065      4.101442      7.278267
  C      -8.024665      4.524458      6.610125
  O      -7.893125      4.112081      5.230052
  C      -8.974973      3.677216      4.561163
  C     -10.286890      4.039762      4.824831
  C     -11.311907      3.530567      3.998939
  N     -11.133907      2.706961      2.978194
  C      -9.848580      2.317890      2.725716
  C      -9.592493      1.419489      1.660171
  C      -8.299215      1.011529      1.421406
  C      -7.261582      1.486716      2.254296
  N      -7.449386      2.329488      3.261371
  C      -8.721788      2.759632      3.487649
  H      -4.792701     -1.540277      4.970542
  H      -5.417767     -0.295793      3.874742
  H      -3.139879     -2.283476      3.338435
  H      -4.702911     -2.164233      2.527787
  H      -2.814370     -1.266384      1.145102
  H      -2.460554     -0.057133      2.422030
  H      -5.629649      0.452841     -0.757040
  H      -5.151684      2.048707     -2.612071
  H      -1.359481      4.365168     -1.497688
  H       0.126045      4.431876      0.553012
  H      -0.379377      2.890227      2.446483
  H      -2.581947      4.591280      2.924949
  H      -3.586156      5.632037      3.953470
  H      -5.612795      4.316265      3.383836
  H      -4.627730      3.081651      2.595252
  H      -3.845360      4.683260      0.888773
  H      -4.815853      5.991649      1.609524
  H      -6.705321      6.196315      2.560188
  H      -9.064775      6.803940      2.845359
  H     -11.519899      4.494801     -0.256719
  H     -10.933866      2.897861     -2.122304
  H      -8.526044      2.331272     -2.507181
  H      -6.964576      2.092796      8.104917
  H      -7.114572      2.198949      6.338654
  H      -5.891765      4.578865      6.741447
  H      -6.711220      4.470251      8.315367
  H      -8.190744      5.612681      6.654643
  H      -8.894327      4.015208      7.057109
  H     -10.535097      4.730847      5.630043
  H     -12.343536      3.841706      4.193785
  H     -10.431942      1.081060      1.051231
  H      -8.061351      0.331957      0.602111
  H      -6.235755      1.154270      2.082521
98
Coordinates from ORCA-job orca E -6374.108107232641
  N      -3.650066      0.223076      4.740274
  Mo     -4.196180      2.057794      5.264409
  N      -5.169345      2.165818      6.987950
  C      -4.350847      2.172040      8.199896
  C      -3.052402      1.433894      7.908380
  N      -2.531934      1.859013      6.570041
  C      -1.642618      0.833555      5.952946
  C      -2.476435     -0.320590      5.410277
  C      -1.870157      3.196633      6.654423
  C      -1.919318      3.904811      5.308191
  N      -3.227183      3.702471      4.702634
  H      -1.834162     -0.908546      4.726585
  H      -2.770438     -1.018436      6.225349
  H      -1.126105      1.331327      5.120251
  H      -0.886846      0.486962      6.680953
  H      -1.712380      4.980556      5.479665
  H      -1.109259      3.545592      4.637914
  H      -2.435047      3.782579      7.391512
  H      -0.837021      3.081055      7.025233
  H      -4.867240      1.659072      9.035290
  H      -4.141278      3.202058      8.560759
  H      -3.254979      0.356793      7.838624
  H      -2.288000      1.600317      8.687433
  C      -4.539383     -0.776165      4.173314
  C      -3.955432     -1.551019      2.973745
  C      -3.270304     -0.668225      1.952297
  O      -4.268563      0.225480      1.383797
  C      -3.886536      1.070418      0.384086
  C      -4.714825      1.168488     -0.725926
  C      -4.407371      2.076220     -1.751795
  N      -3.346296      2.876260     -1.756859
  C      -2.532186      2.816622     -0.665664
  C      -1.421748      3.696349     -0.596186
  C      -0.627420      3.699766      0.534137
  C      -0.940062      2.817147      1.585727
  N      -1.955584      1.958720      1.566294
  C      -2.749428      1.940543      0.457175
  C      -3.464697      4.584932      3.570581
  C      -4.698232      4.165386      2.780183
  C      -4.770005      4.913123      1.457987
  O      -5.849863      4.454122      0.613954
  C      -7.101180      4.857745      0.888050
  C      -7.466924      5.752860      1.886322
  C      -8.825963      6.080748      2.057363
  N      -9.828601      5.600913      1.339872
  C      -9.489534      4.724091      0.348538
  C     -10.517687      4.165578     -0.448198
  C     -10.190211      3.290337     -1.459561
  C      -8.829229      2.976107     -1.674856
  N      -7.832505      3.459653     -0.948112
  C      -8.146290      4.318675      0.058964
  C      -6.540866      2.592897      7.204826
  C      -6.727666      4.127985      7.283698
  C      -8.023790      4.552092      6.614863
  O      -7.893143      4.135809      5.235706
  C      -8.972041      3.681468      4.574280
  C     -10.287532      4.030680      4.839021
  C     -11.309281      3.499693      4.023250
  N     -11.124817      2.667631      3.010385
  C      -9.835566      2.293494      2.755601
  C      -9.572448      1.390090      1.696136
  C      -8.274689      0.997654      1.454109
  C      -7.239835      1.493271      2.277983
  N      -7.434350      2.341120      3.280034
  C      -8.711389      2.756697      3.508832
  H      -4.851768     -1.512793      4.944157
  H      -5.457532     -0.260788      3.846174
  H      -3.207129     -2.282248      3.321688
  H      -4.760718     -2.133563      2.497989
  H      -2.843813     -1.269437      1.132023
  H      -2.476896     -0.070282      2.414883
  H      -5.603569      0.539629     -0.787544
  H      -5.073328      2.147720     -2.616789
  H      -1.240613      4.363493     -1.440285
  H       0.228868      4.370197      0.623035
  H      -0.324674      2.813080      2.490113
  H      -2.582771      4.576226      2.895675
  H      -3.577266      5.635073      3.915716
  H      -5.613227      4.308314      3.369512
  H      -4.628475      3.086829      2.560138
  H      -3.868440      4.710266      0.864346
  H      -4.846848      6.003592      1.602183
  H      -6.732681      6.195313      2.555721
  H      -9.094997      6.783733      2.853120
  H     -11.548940      4.444799     -0.227249
  H     -10.961059      2.841690     -2.087904
  H      -8.552464      2.292837     -2.484294
  H      -6.961086      2.120728      8.116918
  H      -7.128892      2.225035      6.352382
  H      -5.890343      4.602233      6.745800
  H      -6.709992      4.499193      8.319957
  H      -8.188247      5.640583      6.656555
  H      -8.893750      4.045039      7.063549
  H     -10.541476      4.728195      5.636807
  H     -12.344043      3.799136      4.219872
  H     -10.410237      1.035975      1.093990
  H      -8.031668      0.315041      0.638827
  H      -6.210505      1.173954      2.103459
98
Coordinates from ORCA-job orca E -6374.108408330133
  N      -3.679762      0.233433      4.721893
  Mo     -4.212847      2.069761      5.249848
  N      -5.176798      2.185690      6.979200
  C      -4.351249      2.187699      8.186394
  C      -3.060698      1.438646      7.888819
  N      -2.543839      1.858906      6.547571
  C      -1.664442      0.825994      5.928682
  C      -2.509865     -0.321208      5.389349
  C      -1.871313      3.191388      6.628080
  C      -1.917686      3.896207      5.280287
  N      -3.228681      3.703931      4.678534
  H      -1.874843     -0.914437      4.703543
  H      -2.807838     -1.016475      6.205024
  H      -1.146236      1.318321      5.093817
  H      -0.909771      0.473932      6.655115
  H      -1.700574      4.970546      5.447910
  H      -1.112497      3.528018      4.609142
  H      -2.429822      3.782798      7.365644
  H      -0.838244      3.068237      6.996639
  H      -4.866483      1.680203      9.025798
  H      -4.131511      3.216673      8.544141
  H      -3.272904      0.363284      7.820712
  H      -2.290771      1.598991      8.663713
  C      -4.577019     -0.756510      4.150494
  C      -3.994637     -1.538694      2.954580
  C      -3.285663     -0.666050      1.940591
  O      -4.263148      0.247023      1.366725
  C      -3.858153      1.099756      0.382729
  C      -4.679877      1.231168     -0.728520
  C      -4.351015      2.148006     -1.739409
  N      -3.273947      2.926447     -1.728721
  C      -2.464816      2.833533     -0.636187
  C      -1.336497      3.688918     -0.550955
  C      -0.545452      3.659219      0.581028
  C      -0.879305      2.767676      1.618612
  N      -1.912682      1.931718      1.584002
  C      -2.703654      1.945696      0.472948
  C      -3.462646      4.584157      3.543338
  C      -4.701593      4.169818      2.759096
  C      -4.789291      4.927602      1.443224
  O      -5.872919      4.465688      0.605892
  C      -7.125749      4.856346      0.892741
  C      -7.492408      5.745766      1.895596
  C      -8.853126      6.061634      2.076336
  N      -9.856296      5.574142      1.364461
  C      -9.516533      4.699728      0.371279
  C     -10.545195      4.130583     -0.417479
  C     -10.216724      3.255361     -1.428709
  C      -8.854561      2.952519     -1.652038
  N      -7.857161      3.447505     -0.934236
  C      -8.171743      4.306344      0.072717
  C      -6.545049      2.618157      7.205927
  C      -6.727690      4.154084      7.279242
  C      -8.022415      4.577372      6.606784
  O      -7.891923      4.153688      5.229640
  C      -8.968794      3.681419      4.576245
  C     -10.286230      4.024648      4.840094
  C     -11.306666      3.475442      4.035379
  N     -11.119017      2.632214      3.032245
  C      -9.827741      2.266060      2.776639
  C      -9.561702      1.355458      1.724244
  C      -8.261409      0.972576      1.478960
  C      -7.227421      1.484914      2.292913
  N      -7.424882      2.338986      3.289783
  C      -8.704427      2.746079      3.521066
  H      -4.900771     -1.489771      4.919800
  H      -5.487596     -0.231334      3.818808
  H      -3.261197     -2.282104      3.308160
  H      -4.805122     -2.107795      2.471499
  H      -2.862897     -1.272543      1.122336
  H      -2.486394     -0.082430      2.411063
  H      -5.581980      0.623159     -0.801986
  H      -5.012857      2.246532     -2.604834
  H      -1.139111      4.363961     -1.385061
  H       0.324208      4.310423      0.682044
  H      -0.266574      2.737122      2.524468
  H      -2.583013      4.565812      2.865637
  H      -3.566360      5.636627      3.884221
  H      -5.611571      4.306302      3.357900
  H      -4.631626      3.093571      2.529492
  H      -3.891866      4.735518      0.839944
  H      -4.873121      6.016290      1.595714
  H      -6.757787      6.192890      2.561531
  H      -9.122839      6.761049      2.874948
  H     -11.577280      4.401379     -0.190143
  H     -10.987286      2.797670     -2.050939
  H      -8.577763      2.268012     -2.460322
  H      -6.958200      2.150014      8.123139
  H      -7.141119      2.248506      6.360062
  H      -5.888555      4.624345      6.740813
  H      -6.711255      4.530087      8.313815
  H      -8.184872      5.666280      6.642648
  H      -8.893315      4.074081      7.057637
  H     -10.542949      4.732110      5.628078
  H     -12.342982      3.769247      4.232196
  H     -10.399399      0.989295      1.129352
  H      -8.016177      0.285625      0.667982
  H      -6.195815      1.175424      2.114320
98
Coordinates from ORCA-job orca E -6374.108717469137
  N      -3.713008      0.239990      4.713876
  Mo     -4.234741      2.078394      5.243230
  N      -5.192344      2.207665      6.977066
  C      -4.361197      2.206865      8.180360
  C      -3.079620      1.444099      7.880691
  N      -2.563631      1.856012      6.536703
  C      -1.693610      0.813316      5.920822
  C      -2.550386     -0.326463      5.384004
  C      -1.879753      3.182972      6.610971
  C      -1.917544      3.878855      5.258389
  N      -3.229597      3.696029      4.656389
  H      -1.921335     -0.926976      4.699165
  H      -2.856310     -1.017301      6.200274
  H      -1.170353      1.297647      5.084579
  H      -0.943129      0.456387      6.649016
  H      -1.689454      4.952081      5.418287
  H      -1.115343      3.497767      4.591057
  H      -2.434476      3.783081      7.344376
  H      -0.848402      3.052688      6.981912
  H      -4.877308      1.708097      9.024374
  H      -4.129838      3.235264      8.532471
  H      -3.303049      0.370779      7.816204
  H      -2.305169      1.598814      8.652198
  C      -4.611036     -0.739569      4.125208
  C      -4.018818     -1.518392      2.931253
  C      -3.290064     -0.647008      1.930020
  O      -4.252102      0.277593      1.349457
  C      -3.832301      1.138152      0.379062
  C      -4.657664      1.304686     -0.724661
  C      -4.316711      2.231153     -1.722440
  N      -3.223087      2.986420     -1.706257
  C      -2.408753      2.857924     -0.621084
  C      -1.259755      3.685067     -0.531739
  C      -0.460407      3.618939      0.592781
  C      -0.807592      2.719858      1.619578
  N      -1.861262      1.910169      1.580338
  C      -2.659775      1.958406      0.475716
  C      -3.452376      4.565231      3.510018
  C      -4.696215      4.157150      2.731534
  C      -4.802156      4.932685      1.426691
  O      -5.891045      4.472721      0.596489
  C      -7.143029      4.855219      0.896760
  C      -7.506816      5.743180      1.901417
  C      -8.867940      6.054118      2.089137
  N      -9.873267      5.561017      1.383564
  C      -9.536131      4.682381      0.393133
  C     -10.566543      4.102721     -0.386138
  C     -10.239202      3.220089     -1.391635
  C      -8.876813      2.920925     -1.618607
  N      -7.878174      3.427949     -0.911754
  C      -8.191495      4.294046      0.088917
  C      -6.556785      2.647175      7.212383
  C      -6.734881      4.184446      7.276121
  C      -8.027611      4.605698      6.598627
  O      -7.896544      4.173730      5.223986
  C      -8.969316      3.677770      4.580662
  C     -10.290192      4.005818      4.847254
  C     -11.307221      3.433353      4.055219
  N     -11.112873      2.582261      3.059905
  C      -9.817731      2.233422      2.799747
  C      -9.545209      1.319936      1.751933
  C      -8.240629      0.956149      1.499111
  C      -7.209453      1.490033      2.301951
  N      -7.412835      2.345850      3.296669
  C      -8.697029      2.735615      3.534033
  H      -4.947758     -1.476724      4.885096
  H      -5.513906     -0.205733      3.787641
  H      -3.295000     -2.268719      3.289876
  H      -4.827913     -2.079062      2.436076
  H      -2.862304     -1.252778      1.113953
  H      -2.492581     -0.071240      2.412966
  H      -5.573879      0.718832     -0.801391
  H      -4.982577      2.358337     -2.580972
  H      -1.052808      4.367331     -1.357593
  H       0.425459      4.247484      0.696434
  H      -0.188002      2.659579      2.519865
  H      -2.573108      4.525789      2.832781
  H      -3.542357      5.623389      3.836886
  H      -5.601190      4.281580      3.341596
  H      -4.624055      3.084682      2.485690
  H      -3.910998      4.754875      0.810371
  H      -4.892184      6.018728      1.593493
  H      -6.770090      6.193490      2.563077
  H      -9.135861      6.754157      2.887762
  H     -11.598553      4.371212     -0.155793
  H     -11.010070      2.753451     -2.007027
  H      -8.600983      2.228640     -2.420566
  H      -6.961787      2.186509      8.136767
  H      -7.161901      2.272569      6.375094
  H      -5.893336      4.649929      6.737361
  H      -6.720889      4.567002      8.308335
  H      -8.188904      5.694950      6.626765
  H      -8.899126      4.106437      7.052513
  H     -10.553042      4.719930      5.627153
  H     -12.346498      3.713864      4.255770
  H     -10.381846      0.937386      1.166128
  H      -7.990415      0.268228      0.690487
  H      -6.174394      1.197839      2.116097
98
Coordinates from ORCA-job orca E -6374.108945831103
  N      -3.739298      0.242838      4.702963
  Mo     -4.253436      2.083223      5.230846
  N      -5.204012      2.222834      6.968609
  C      -4.367610      2.221408      8.168466
  C      -3.092219      1.449608      7.866431
  N      -2.578853      1.854916      6.519482
  C      -1.715568      0.805622      5.905413
  C      -2.580082     -0.330031      5.373108
  C      -1.887437      3.177930      6.586874
  C      -1.920944      3.865699      5.230287
  N      -3.235074      3.690041      4.631064
  H      -1.955829     -0.935418      4.688244
  H      -2.889231     -1.017421      6.190906
  H      -1.190711      1.283982      5.066876
  H      -0.966455      0.446646      6.633917
  H      -1.684043      4.937947      5.383831
  H      -1.122360      3.474430      4.564611
  H      -2.439086      3.784875      7.316962
  H      -0.856800      3.043539      6.958410
  H      -4.883151      1.729113      9.016563
  H      -4.128294      3.249712      8.515560
  H      -3.323118      0.377650      7.805656
  H      -2.313738      1.601270      8.634499
  C      -4.637630     -0.730643      4.104459
  C      -4.037903     -1.510442      2.914983
  C      -3.288688     -0.642869      1.925599
  O      -4.234462      0.295716      1.340891
  C      -3.799907      1.165033      0.385380
  C      -4.625489      1.362230     -0.713043
  C      -4.272797      2.297991     -1.697756
  N      -3.166399      3.034231     -1.674097
  C      -2.350877      2.875370     -0.593748
  C      -1.187087      3.680713     -0.497164
  C      -0.385222      3.585373      0.623304
  C      -0.745878      2.679811      1.639886
  N      -1.813914      1.889953      1.593078
  C      -2.613996      1.964895      0.491188
  C      -3.452855      4.555925      3.481298
  C      -4.701047      4.155005      2.707243
  C      -4.820153      4.941970      1.410044
  O      -5.913722      4.482142      0.586664
  C      -7.164891      4.854465      0.902033
  C      -7.524794      5.734292      1.914819
  C      -8.886333      6.035242      2.116318
  N      -9.894810      5.538789      1.417278
  C      -9.561412      4.665180      0.421132
  C     -10.594959      4.079086     -0.349420
  C     -10.270504      3.198264     -1.357585
  C      -8.908219      2.908084     -1.596184
  N      -7.906737      3.423048     -0.899431
  C      -8.217031      4.287188      0.103731
  C      -6.564789      2.670459      7.209963
  C      -6.735431      4.209031      7.265080
  C      -8.024769      4.631897      6.582196
  O      -7.893666      4.191962      5.210017
  C      -8.964427      3.678739      4.575753
  C     -10.286458      4.002610      4.842361
  C     -11.303098      3.413842      4.062591
  N     -11.106860      2.551411      3.077227
  C      -9.810516      2.208486      2.815664
  C      -9.537070      1.287377      1.775011
  C      -8.230898      0.932315      1.516907
  C      -7.199665      1.482173      2.308119
  N      -7.403806      2.343380      3.298634
  C      -8.689727      2.725823      3.540080
  H      -4.985109     -1.468124      4.859171
  H      -5.533876     -0.191051      3.759875
  H      -3.325204     -2.268475      3.279522
  H      -4.846802     -2.061861      2.409127
  H      -2.860660     -1.249783      1.110529
  H      -2.489418     -0.078149      2.418497
  H      -5.552165      0.794014     -0.795206
  H      -4.939895      2.449835     -2.551273
  H      -0.970874      4.370029     -1.314750
  H       0.512103      4.196554      0.732162
  H      -0.125239      2.596636      2.537823
  H      -2.575333      4.505992      2.802625
  H      -3.533117      5.616372      3.803388
  H      -5.601288      4.275040      3.325940
  H      -4.631093      3.084908      2.451785
  H      -3.933802      4.774746      0.783946
  H      -4.915208      6.026015      1.586787
  H      -6.784897      6.185160      2.572746
  H      -9.151653      6.729589      2.920734
  H     -11.626650      4.340416     -0.109595
  H     -11.042927      2.725537     -1.966420
  H      -8.634946      2.215077     -2.398443
  H      -6.964730      2.217162      8.140043
  H      -7.177377      2.293017      6.379340
  H      -5.890222      4.667921      6.726440
  H      -6.723067      4.597580      8.295117
  H      -8.181534      5.721924      6.603588
  H      -8.898773      4.138991      7.038026
  H     -10.550599      4.726866      5.612372
  H     -12.343321      3.690174      4.263970
  H     -10.374618      0.893831      1.197908
  H      -7.979783      0.240046      0.712263
  H      -6.162968      1.200139      2.115354
98
Coordinates from ORCA-job orca E -6374.109172095623
  N      -3.769286      0.245728      4.692309
  Mo     -4.273676      2.088662      5.219534
  N      -5.215151      2.238119      6.962464
  C      -4.371863      2.235778      8.157626
  C      -3.103558      1.454260      7.851774
  N      -2.594060      1.852759      6.501502
  C      -1.739268      0.796295      5.887622
  C      -2.613401     -0.334460      5.361528
  C      -1.893983      3.171091      6.561757
  C      -1.923848      3.850525      5.201199
  N      -3.241005      3.683841      4.606351
  H      -1.995912     -0.946265      4.676372
  H      -2.925605     -1.017207      6.181908
  H      -1.214236      1.268282      5.045697
  H      -0.990419      0.435060      6.615130
  H      -1.676647      4.921392      5.348012
  H      -1.130312      3.448053      4.536251
  H      -2.441684      3.785449      7.288620
  H      -0.864074      3.031564      6.933548
  H      -4.885997      1.750264      9.010415
  H      -4.123844      3.263858      8.499292
  H      -3.342365      0.383818      7.795083
  H      -2.320138      1.602540      8.615467
  C      -4.667504     -0.721750      4.083139
  C      -4.060001     -1.500898      2.897204
  C      -3.292070     -0.635557      1.920399
  O      -4.222138      0.317440      1.333680
  C      -3.773990      1.197459      0.395041
  C      -4.603013      1.432572     -0.693279
  C      -4.240739      2.382236     -1.660889
  N      -3.120876      3.097670     -1.630356
  C      -2.300335      2.900522     -0.560059
  C      -1.120163      3.680897     -0.457270
  C      -0.310411      3.546968      0.653402
  C      -0.680280      2.628151      1.654766
  N      -1.764582      1.861390      1.601564
  C      -2.572481      1.973314      0.508552
  C      -3.450981      4.545345      3.451611
  C      -4.703808      4.153099      2.682071
  C      -4.837011      4.952908      1.393947
  O      -5.933853      4.490532      0.576647
  C      -7.184744      4.854958      0.901744
  C      -7.542887      5.735783      1.914062
  C      -8.904896      6.030645      2.122027
  N      -9.914929      5.526510      1.430544
  C      -9.583316      4.648390      0.437721
  C     -10.618183      4.051450     -0.322908
  C     -10.294670      3.163714     -1.325393
  C      -8.932297      2.877929     -1.568469
  N      -7.929587      3.404656     -0.882448
  C      -8.238866      4.275685      0.114926
  C      -6.571978      2.693325      7.212497
  C      -6.735889      4.232970      7.258195
  C      -8.022140      4.656807      6.570316
  O      -7.892050      4.207253      5.201073
  C      -8.960173      3.675315      4.576738
  C     -10.284073      3.991479      4.844131
  C     -11.298771      3.385978      4.075413
  N     -11.098782      2.515213      3.097868
  C      -9.800489      2.181577      2.834150
  C      -9.523741      1.256795      1.797783
  C      -8.215275      0.913770      1.533838
  C      -7.185686      1.478187      2.316192
  N      -7.392822      2.341051      3.305306
  C      -8.681060      2.713914      3.550495
  H      -5.024528     -1.460383      4.832209
  H      -5.557905     -0.177021      3.732863
  H      -3.357013     -2.265524      3.266769
  H      -4.867528     -2.044525      2.380733
  H      -2.863845     -1.241880      1.104993
  H      -2.491188     -0.082466      2.423480
  H      -5.541067      0.884138     -0.780106
  H      -4.911861      2.564388     -2.505259
  H      -0.897584      4.382246     -1.262845
  H       0.600023      4.137730      0.766153
  H      -0.053242      2.513375      2.544994
  H      -2.574836      4.481248      2.772372
  H      -3.518505      5.608709      3.767156
  H      -5.599021      4.267544      3.309718
  H      -4.635963      3.085903      2.416094
  H      -3.954729      4.798944      0.758982
  H      -4.939116      6.034457      1.581417
  H      -6.801389      6.192268      2.566314
  H      -9.169061      6.726997      2.925096
  H     -11.649852      4.309704     -0.079619
  H     -11.067229      2.681552     -1.926686
  H      -8.660073      2.177754     -2.364877
  H      -6.964071      2.248063      8.149634
  H      -7.193860      2.311544      6.390707
  H      -5.887347      4.685252      6.719296
  H      -6.724843      4.627951      8.285856
  H      -8.173737      5.747673      6.583269
  H      -8.898577      4.171678      7.029519
  H     -10.551271      4.724001      5.605156
  H     -12.340503      3.655324      4.278468
  H     -10.361145      0.852535      1.227921
  H      -7.961462      0.219888      0.731376
  H      -6.147091      1.207963      2.116891
98
Coordinates from ORCA-job orca E -6374.109377489784
  N      -3.798905      0.245763      4.682527
  Mo     -4.294851      2.091615      5.207527
  N      -5.225501      2.251738      6.956112
  C      -4.374646      2.249658      8.146087
  C      -3.112817      1.459813      7.835995
  N      -2.608847      1.851098      6.481718
  C      -1.762113      0.788121      5.868080
  C      -2.644848     -0.339212      5.350388
  C      -1.901855      3.165651      6.533021
  C      -1.930688      3.835705      5.168134
  N      -3.251265      3.675927      4.579083
  H      -2.033844     -0.957329      4.665206
  H      -2.958355     -1.016790      6.174426
  H      -1.238603      1.253651      5.021710
  H      -1.012154      0.426144      6.593973
  H      -1.674307      4.905475      5.307164
  H      -1.142688      3.422461      4.503302
  H      -2.445779      3.787279      7.256551
  H      -0.872069      3.022923      6.904070
  H      -4.886332      1.770779      9.004024
  H      -4.118738      3.277810      8.481723
  H      -3.358211      0.390618      7.784357
  H      -2.324129      1.606175      8.594638
  C      -4.695192     -0.717961      4.064247
  C      -4.078499     -1.495963      2.882264
  C      -3.291760     -0.632478      1.918761
  O      -4.206468      0.332342      1.327250
  C      -3.744328      1.222479      0.405821
  C      -4.573202      1.491177     -0.674901
  C      -4.200457      2.453626     -1.625557
  N      -3.069556      3.151097     -1.586165
  C      -2.247778      2.920011     -0.523593
  C      -1.054339      3.678737     -0.412497
  C      -0.241075      3.510833      0.690723
  C      -0.621387      2.580058      1.677137
  N      -1.718640      1.832911      1.615501
  C      -2.530155      1.977450      0.529077
  C      -3.456505      4.534349      3.421102
  C      -4.713101      4.149573      2.655067
  C      -4.858340      4.962520      1.376455
  O      -5.958680      4.500567      0.563745
  C      -7.209051      4.856216      0.899955
  C      -7.564748      5.733630      1.915899
  C      -8.927041      6.020393      2.133558
  N      -9.939071      5.510667      1.449033
  C      -9.609875      4.633202      0.454802
  C     -10.646699      4.027904     -0.296605
  C     -10.325044      3.138593     -1.298321
  C      -8.962808      2.860044     -1.550193
  N      -7.958177      3.395916     -0.874032
  C      -8.265586      4.268496      0.122627
  C      -6.577869      2.715468      7.214995
  C      -6.733687      4.256348      7.251860
  C      -8.016707      4.682456      6.559724
  O      -7.887624      4.224208      5.193327
  C      -8.952762      3.674738      4.578454
  C     -10.278576      3.981515      4.847974
  C     -11.290801      3.360209      4.089304
  N     -11.086349      2.483502      3.117685
  C      -9.786050      2.160354      2.851021
  C      -9.505404      1.233363      1.817781
  C      -8.194634      0.903365      1.547762
  C      -7.167218      1.481652      2.322167
  N      -7.377622      2.344842      3.310876
  C      -8.668451      2.707157      3.560027
  H      -5.060349     -1.457777      4.808195
  H      -5.580754     -0.170082      3.708017
  H      -3.384946     -2.266515      3.257313
  H      -4.883549     -2.032416      2.354512
  H      -2.860824     -1.238335      1.104451
  H      -2.491117     -0.089533      2.432875
  H      -5.520543      0.960110     -0.768058
  H      -4.872800      2.662675     -2.462676
  H      -0.824414      4.391112     -1.206266
  H       0.679765      4.084102      0.809204
  H       0.008171      2.437894      2.561684
  H      -2.581626      4.460076      2.741330
  H      -3.514304      5.599690      3.732136
  H      -5.603814      4.257913      3.290644
  H      -4.647013      3.085399      2.378138
  H      -3.980027      4.820585      0.733176
  H      -4.965672      6.041465      1.575409
  H      -6.821148      6.193512      2.563422
  H      -9.189551      6.714997      2.938697
  H     -11.678126      4.280596     -0.046498
  H     -11.098443      2.649199     -1.892674
  H      -8.692299      2.157512     -2.345173
  H      -6.962589      2.278610      8.159013
  H      -7.209262      2.330176      6.402127
  H      -5.881873      4.701529      6.712250
  H      -6.722768      4.657148      8.277319
  H      -8.162868      5.774106      6.565183
  H      -8.895669      4.204985      7.021923
  H     -10.549246      4.719807      5.602157
  H     -12.334162      3.621391      4.294624
  H     -10.342127      0.818749      1.254368
  H      -7.937586      0.209302      0.746458
  H      -6.126894      1.223471      2.116264
98
Coordinates from ORCA-job orca E -6374.109577751397
  N      -3.828707      0.245962      4.672710
  Mo     -4.316284      2.094657      5.195554
  N      -5.236031      2.265490      6.949702
  C      -4.377622      2.263579      8.134432
  C      -3.122385      1.465357      7.820185
  N      -2.623977      1.849413      6.461954
  C      -1.785322      0.779922      5.848708
  C      -2.676609     -0.343852      5.339351
  C      -1.910117      3.160106      6.504219
  C      -1.937920      3.820588      5.134976
  N      -3.261820      3.667765      4.551663
  H      -2.072091     -0.968243      4.654229
  H      -2.991474     -1.016242      6.166988
  H      -1.263276      1.238942      4.997979
  H      -1.034360      0.417164      6.573074
  H      -1.672347      4.889140      5.266084
  H      -1.155531      3.396500      4.470437
  H      -2.450277      3.789041      7.224268
  H      -0.880487      3.014217      6.874608
  H      -4.886800      1.791406      8.997503
  H      -4.113783      3.291727      8.463948
  H      -3.374392      0.397480      7.773639
  H      -2.328465      1.609715      8.573759
  C      -4.722761     -0.713852      4.044829
  C      -4.096486     -1.490422      2.866906
  C      -3.291078     -0.628712      1.917218
  O      -4.190252      0.347714      1.321015
  C      -3.714210      1.247618      0.417082
  C      -4.542624      1.549884     -0.655181
  C      -4.159437      2.524898     -1.588524
  N      -3.017810      3.204195     -1.540717
  C      -2.195143      2.939161     -0.486747
  C      -0.988795      3.675941     -0.367920
  C      -0.172338      3.473973      0.726961
  C      -0.563039      2.531430      1.698155
  N      -1.672897      1.804176      1.628583
  C      -2.487734      1.981432      0.549573
  C      -3.462480      4.523017      3.390446
  C      -4.722765      4.145647      2.627888
  C      -4.880090      4.971918      1.359205
  O      -5.983913      4.510555      0.551029
  C      -7.233616      4.857201      0.898495
  C      -7.586840      5.730815      1.918362
  C      -8.949326      6.009258      2.145851
  N      -9.963244      5.494056      1.468156
  C      -9.636423      4.617553      0.472267
  C     -10.675018      4.003946     -0.270011
  C     -10.355092      3.113291     -1.271119
  C      -8.993065      2.842163     -1.531854
  N      -7.986723      3.387183     -0.865523
  C      -8.292383      4.261095      0.130572
  C      -6.583776      2.737863      7.217375
  C      -6.731504      4.279899      7.245283
  C      -8.011233      4.708207      6.548796
  O      -7.883116      4.241315      5.185297
  C      -8.945026      3.674450      4.580016
  C     -10.272662      3.971726      4.851873
  C     -11.282246      3.334693      4.103441
  N     -11.073271      2.452186      3.137723
  C      -9.771078      2.139666      2.867854
  C      -9.486588      1.210568      1.837669
  C      -8.173711      0.893751      1.561233
  C      -7.148568      1.485983      2.327426
  N      -7.362103      2.349394      3.315836
  C      -8.655418      2.700953      3.569314
  H      -5.096233     -1.455070      4.783220
  H      -5.603303     -0.162715      3.682578
  H      -3.412365     -2.266764      3.247308
  H      -4.898702     -2.019749      2.327727
  H      -2.857096     -1.233934      1.104071
  H      -2.491144     -0.095832      2.442590
  H      -5.498948      1.036373     -0.754209
  H      -4.832738      2.760844     -2.417668
  H      -0.751540      4.399211     -1.149607
  H       0.758617      4.029540      0.850694
  H       0.068754      2.361795      2.576336
  H      -2.588948      4.438654      2.710196
  H      -3.510656      5.590231      3.696925
  H      -5.608951      4.247571      3.271326
  H      -4.658384      3.084661      2.339799
  H      -4.005923      4.842296      0.707671
  H      -4.992568      6.048054      1.569965
  H      -6.841201      6.193926      2.561298
  H      -9.210201      6.701817      2.953298
  H     -11.706149      4.250908     -0.013007
  H     -11.129161      2.616701     -1.858612
  H      -8.724127      2.137410     -2.325471
  H      -6.960979      2.309492      8.168185
  H      -7.224667      2.349149      6.413607
  H      -5.876426      4.717970      6.705051
  H      -6.720765      4.686547      8.268493
  H      -8.151982      5.800560      6.546746
  H      -8.892688      4.238412      7.013914
  H     -10.546905      4.715609      5.599234
  H     -12.327150      3.587617      4.311226
  H     -10.322571      0.785561      1.280911
  H      -7.913513      0.199590      0.761002
  H      -6.106722      1.240035      2.114574
98
Coordinates from ORCA-job orca E -6374.109780033181
  N      -3.856618      0.245240      4.663444
  Mo     -4.337538      2.096476      5.184099
  N      -5.246193      2.277238      6.943842
  C      -4.380043      2.276334      8.123143
  C      -3.130952      1.470637      7.804843
  N      -2.638569      1.847758      6.442680
  C      -1.807201      0.772312      5.830146
  C      -2.706248     -0.348416      5.329380
  C      -1.918686      3.154894      6.475625
  C      -1.945853      3.805195      5.101846
  N      -3.273172      3.659079      4.524682
  H      -2.107818     -0.979093      4.644824
  H      -3.022205     -1.015337      6.160885
  H      -1.286862      1.224969      4.975110
  H      -1.055113      0.409490      6.553202
  H      -1.671224      4.872462      5.224699
  H      -1.169287      3.370203      4.437568
  H      -2.455619      3.791050      7.191774
  H      -0.889194      3.006580      6.845604
  H      -4.886199      1.810769      8.991496
  H      -4.108986      3.304693      8.446144
  H      -3.388735      0.403942      7.763577
  H      -2.331896      1.613640      8.553251
  C      -4.747357     -0.711973      4.026421
  C      -4.110935     -1.487274      2.853060
  C      -3.288610     -0.627486      1.916102
  O      -4.173680      0.358461      1.314638
  C      -3.685674      1.269342      0.429229
  C      -4.514827      1.605281     -0.632525
  C      -4.123701      2.594473     -1.547249
  N      -2.972977      3.257651     -1.491328
  C      -2.148507      2.958753     -0.447825
  C      -0.930470      3.674818     -0.322136
  C      -0.109010      3.437513      0.761669
  C      -0.507381      2.481148      1.716245
  N      -1.628758      1.772833      1.639519
  C      -2.448370      1.983648      0.570306
  C      -3.470158      4.513039      3.361823
  C      -4.733435      4.143150      2.601823
  C      -4.903283      4.984534      1.344681
  O      -6.009729      4.523573      0.539975
  C      -7.259008      4.860771      0.897522
  C      -7.610975      5.730776      1.920668
  C      -8.973872      6.000837      2.156210
  N      -9.988759      5.479942      1.484237
  C      -9.663049      4.603987      0.487466
  C     -10.702262      3.981700     -0.246788
  C     -10.382624      3.089216     -1.246391
  C      -9.020519      2.825428     -1.514013
  N      -8.013594      3.380002     -0.856486
  C      -8.318926      4.255707      0.138152
  C      -6.589021      2.758724      7.220384
  C      -6.727878      4.301910      7.238352
  C      -8.003223      4.733080      6.536096
  O      -7.875674      4.256224      5.176096
  C      -8.934623      3.673358      4.580215
  C     -10.263636      3.964172      4.852971
  C     -11.271073      3.313583      4.114107
  N     -11.058433      2.424827      3.154583
  C      -9.754848      2.120014      2.882837
  C      -9.467587      1.188938      1.855325
  C      -8.153194      0.882736      1.573293
  C      -7.129926      1.485871      2.332743
  N      -7.345506      2.348968      3.321640
  C      -8.640687      2.692889      3.578146
  H      -5.128143     -1.454604      4.759623
  H      -5.623466     -0.158772      3.658161
  H      -3.434975     -2.267932      3.239183
  H      -4.909638     -2.011270      2.303509
  H      -2.851213     -1.232375      1.104551
  H      -2.490005     -0.103005      2.451491
  H      -5.479182      1.108175     -0.736775
  H      -4.798898      2.857143     -2.366748
  H      -0.688017      4.410591     -1.090463
  H       0.831226      3.976221      0.889761
  H       0.127689      2.283430      2.586300
  H      -2.597821      4.420720      2.681139
  H      -3.509681      5.581429      3.665690
  H      -5.615300      4.236899      3.252988
  H      -4.669925      3.085948      2.301263
  H      -4.032936      4.870079      0.685109
  H      -5.022515      6.057136      1.569137
  H      -6.864108      6.197422      2.559705
  H      -9.234116      6.691589      2.965433
  H     -11.733384      4.223028      0.015588
  H     -11.156400      2.585146     -1.827879
  H      -8.751879      2.118106     -2.305537
  H      -6.958240      2.339640      8.178313
  H      -7.239841      2.366243      6.426456
  H      -5.868763      4.732039      6.698165
  H      -6.718019      4.714937      8.259068
  H      -8.137095      5.826236      6.525289
  H      -8.888108      4.272709      7.003912
  H     -10.540594      4.714734      5.592617
  H     -12.317099      3.560590      4.323330
  H     -10.303194      0.755932      1.304145
  H      -7.890588      0.188662      0.773753
  H      -6.087095      1.250002      2.113534
98
Coordinates from ORCA-job orca E -6374.109979099267
  N      -3.884080      0.244094      4.653552
  Mo     -4.360190      2.097383      5.173096
  N      -5.257377      2.286135      6.938654
  C      -4.383248      2.286067      8.112295
  C      -3.139844      1.474058      7.789339
  N      -2.654055      1.845807      6.423592
  C      -1.829041      0.765687      5.811014
  C      -2.734816     -0.352470      5.318509
  C      -1.929226      3.149810      6.448059
  C      -1.956463      3.790727      5.070232
  N      -3.287235      3.650932      4.499347
  H      -2.142041     -0.988815      4.634458
  H      -3.051209     -1.014306      6.153774
  H      -1.310969      1.213023      4.951959
  H      -1.075400      0.403190      6.532494
  H      -1.673503      4.856675      5.185650
  H      -1.185600      3.345926      4.405793
  H      -2.463458      3.792378      7.160552
  H      -0.899767      2.999665      6.817597
  H      -4.885920      1.826372      8.985708
  H      -4.105660      3.314609      8.429183
  H      -3.402518      0.408420      7.752622
  H      -2.335723      1.615778      8.532569
  C      -4.770770     -0.711772      4.008294
  C      -4.124330     -1.486207      2.839775
  C      -3.286532     -0.629048      1.914076
  O      -4.158210      0.365197      1.306995
  C      -3.659761      1.288159      0.441221
  C      -4.490812      1.658290     -0.607817
  C      -4.094003      2.663495     -1.502180
  N      -2.935444      3.312178     -1.438351
  C      -2.108008      2.978700     -0.407682
  C      -0.879375      3.675181     -0.275723
  C      -0.051361      3.401184      0.794205
  C      -0.454858      2.428613      1.730252
  N      -1.586689      1.738224      1.646728
  C      -2.412507      1.983851      0.589960
  C      -3.480525      4.505432      3.336221
  C      -4.745313      4.142891      2.576761
  C      -4.927698      5.001084      1.332892
  O      -6.034986      4.539381      0.529875
  C      -7.284453      4.865523      0.896154
  C      -7.637178      5.731376      1.922310
  C      -9.000951      5.991717      2.164241
  N     -10.015438      5.464177      1.496798
  C      -9.688807      4.588877      0.499710
  C     -10.727005      3.956592     -0.227512
  C     -10.405501      3.062255     -1.224877
  C      -9.042789      2.807108     -1.497680
  N      -8.036817      3.372560     -0.848012
  C      -8.343941      4.250131      0.144387
  C      -6.594436      2.778613      7.224344
  C      -6.721930      4.323079      7.232632
  C      -7.990976      4.759489      6.522922
  O      -7.863422      4.271817      5.166905
  C      -8.919469      3.673932      4.580182
  C     -10.249623      3.960329      4.852698
  C     -11.255183      3.297449      4.123089
  N     -11.039295      2.402018      3.170148
  C      -9.734581      2.103049      2.897518
  C      -9.445198      1.169900      1.872625
  C      -8.129628      0.872677      1.585658
  C      -7.108024      1.484586      2.339518
  N      -7.324896      2.346993      3.329485
  C      -8.621638      2.685642      3.587686
  H      -5.157557     -1.455755      4.736953
  H      -5.643270     -0.157680      3.634516
  H      -3.455581     -2.270145      3.231804
  H      -4.919361     -2.006217      2.281125
  H      -2.846250     -1.234327      1.104377
  H      -2.489083     -0.111961      2.457861
  H      -5.462552      1.176846     -0.716587
  H      -4.772012      2.953072     -2.310207
  H      -0.633639      4.425215     -1.029098
  H       0.897480      3.923718      0.925899
  H       0.184546      2.201719      2.590111
  H      -2.608599      4.407421      2.655866
  H      -3.512766      5.574365      3.639292
  H      -5.623538      4.225937      3.234854
  H      -4.681081      3.090131      2.262403
  H      -4.060368      4.905423      0.666161
  H      -5.056355      6.069204      1.572922
  H      -6.890318      6.202302      2.558318
  H      -9.262177      6.680370      2.974970
  H     -11.758623      4.191314      0.038934
  H     -11.177642      2.549750     -1.801155
  H      -8.772631      2.097257     -2.286542
  H      -6.955740      2.369314      8.189345
  H      -7.255997      2.383401      6.440633
  H      -5.857331      4.744007      6.693954
  H      -6.713692      4.742155      8.250954
  H      -8.115447      5.853625      6.502607
  H      -8.880826      4.310912      6.992545
  H     -10.528774      4.718392      5.583835
  H     -12.302111      3.540018      4.332974
  H     -10.280657      0.730418      1.326303
  H      -7.865018      0.178792      0.786604
  H      -6.064614      1.257233      2.114465
98
Coordinates from ORCA-job orca E -6374.110186190554
  N      -3.910890      0.242516      4.642743
  Mo     -4.386263      2.096945      5.162602
  N      -5.271766      2.289850      6.934312
  C      -4.389707      2.289493      8.102296
  C      -3.150755      1.473895      7.773264
  N      -2.672326      1.844331      6.404941
  C      -1.851020      0.762925      5.790283
  C      -2.760762     -0.354372      5.305533
  C      -1.945726      3.146719      6.423616
  C      -1.973768      3.780285      5.042849
  N      -3.307347      3.644478      4.476836
  H      -2.172413     -0.994403      4.621289
  H      -3.075430     -1.012514      6.144240
  H      -1.337050      1.207575      4.927509
  H      -1.094380      0.401940      6.509258
  H      -1.685377      4.845371      5.153042
  H      -1.206762      3.329010      4.378232
  H      -2.479323      3.793394      7.132939
  H      -0.916181      2.996668      6.793206
  H      -4.888391      1.833369      8.979772
  H      -4.107201      3.318023      8.414927
  H      -3.416395      0.408961      7.738800
  H      -2.341921      1.614200      8.511657
  C      -4.791914     -0.714976      3.991528
  C      -4.134881     -1.489911      2.829181
  C      -3.284045     -0.636791      1.911615
  O      -4.144241      0.362312      1.296704
  C      -3.638130      1.298655      0.451338
  C      -4.472329      1.700766     -0.583584
  C      -4.073455      2.723822     -1.456288
  N      -2.909392      3.361755     -1.384672
  C      -2.077658      2.995386     -0.368627
  C      -0.840484      3.675324     -0.231273
  C      -0.004291      3.365603      0.822287
  C      -0.409352      2.374753      1.738517
  N      -1.549671      1.699613      1.648868
  C      -2.383132      1.979006      0.606810
  C      -3.495682      4.500918      3.314299
  C      -4.759180      4.145179      2.551448
  C      -4.953541      5.022725      1.323265
  O      -6.060158      4.560170      0.519921
  C      -7.310175      4.874039      0.893951
  C      -7.665050      5.734638      1.923502
  C      -9.030000      5.984521      2.170455
  N     -10.043070      5.450287      1.506176
  C      -9.714074      4.576040      0.508890
  C     -10.750027      3.933081     -0.212227
  C     -10.425063      3.037024     -1.206925
  C      -9.061368      2.791456     -1.483686
  N      -8.057511      3.368526     -0.841033
  C      -8.368025      4.247769      0.148745
  C      -6.601767      2.796001      7.229586
  C      -6.713860      4.341976      7.230790
  C      -7.973358      4.788133      6.511167
  O      -7.844059      4.290306      5.159222
  C      -8.896049      3.677107      4.580442
  C     -10.227717      3.960330      4.849603
  C     -11.230221      3.285692      4.127602
  N     -11.009429      2.383307      3.181926
  C      -9.703231      2.089035      2.911501
  C      -9.410253      1.154315      1.889222
  C      -8.093126      0.865461      1.599913
  C      -7.074516      1.484078      2.351407
  N      -7.293860      2.344590      3.343364
  C      -8.592578      2.679907      3.599563
  H      -5.182304     -1.459883      4.717317
  H      -5.662404     -0.162737      3.612297
  H      -3.471419     -2.274713      3.228472
  H      -4.925726     -2.008995      2.263671
  H      -2.841056     -1.244293      1.105033
  H      -2.487861     -0.124168      2.461001
  H      -5.449955      1.232341     -0.696200
  H      -4.755279      3.038436     -2.251652
  H      -0.594185      4.441003     -0.968593
  H       0.951734      3.874213      0.956661
  H       0.235463      2.119395      2.586452
  H      -2.622231      4.399703      2.636429
  H      -3.522896      5.569874      3.618088
  H      -5.635095      4.213760      3.214910
  H      -4.691681      3.097875      2.221101
  H      -4.088676      4.949519      0.650203
  H      -5.093977      6.085126      1.581413
  H      -6.919096      6.209663      2.557659
  H      -9.293380      6.670391      2.982891
  H     -11.782492      4.160487      0.057351
  H     -11.194549      2.515588     -1.778727
  H      -8.788304      2.079229     -2.269573
  H      -6.955899      2.395978      8.200938
  H      -7.274858      2.400820      6.455624
  H      -5.841423      4.752510      6.696715
  H      -6.708673      4.765120      8.247516
  H      -8.084830      5.883474      6.481786
  H      -8.870529      4.354048      6.980219
  H     -10.509943      4.726811      5.570755
  H     -12.278341      3.524577      4.335735
  H     -10.244725      0.709658      1.345484
  H      -7.825185      0.172424      0.801233
  H      -6.030446      1.264264      2.122623
98
Coordinates from ORCA-job orca E -6374.110428979222
  N      -3.940523      0.241647      4.630296
  Mo     -4.417621      2.096758      5.151627
  N      -5.291161      2.290962      6.929880
  C      -4.401411      2.288264      8.092294
  C      -3.166419      1.470685      7.755813
  N      -2.695611      1.843289      6.385944
  C      -1.876323      0.763036      5.767563
  C      -2.788329     -0.354220      5.289925
  C      -1.969080      3.144881      6.401439
  C      -1.997782      3.772925      5.018675
  N      -3.333458      3.639832      4.455802
  H      -2.203663     -0.996481      4.604814
  H      -3.099951     -1.009864      6.131607
  H      -1.367520      1.206900      4.901458
  H      -1.115837      0.404017      6.483339
  H      -1.705917      4.837448      5.125605
  H      -1.233064      3.317655      4.354013
  H      -2.503455      3.793984      7.108031
  H      -0.939508      2.995826      6.771640
  H      -4.896157      1.833684      8.972701
  H      -4.114747      3.316313      8.402769
  H      -3.434170      0.406340      7.721291
  H      -2.353126      1.608673      8.489754
  C      -4.814812     -0.719463      3.974754
  C      -4.146093     -1.496696      2.820544
  C      -3.283219     -0.649255      1.908950
  O      -4.132794      0.351754      1.283275
  C      -3.620817      1.301791      0.458539
  C      -4.458556      1.732693     -0.562085
  C      -4.060042      2.774014     -1.412844
  N      -2.892545      3.404636     -1.333174
  C      -2.056131      3.008308     -0.332194
  C      -0.812229      3.674597     -0.190128
  C       0.032930      3.331301      0.845581
  C      -0.371216      2.321445      1.741558
  N      -1.518335      1.659093      1.646498
  C      -2.360061      1.970051      0.620360
  C      -3.514175      4.498387      3.293494
  C      -4.773780      4.149758      2.523383
  C      -4.978832      5.048584      1.312822
  O      -6.083964      4.585755      0.507664
  C      -7.334445      4.885550      0.890494
  C      -7.691249      5.739025      1.924994
  C      -9.057251      5.976960      2.178426
  N     -10.068931      5.435868      1.517652
  C      -9.737697      4.563877      0.519091
  C     -10.771354      3.909484     -0.195051
  C     -10.442991      3.012633     -1.187871
  C      -9.078438      2.778447     -1.470386
  N      -8.076762      3.367984     -0.835681
  C      -8.390599      4.247923      0.152329
  C      -6.612826      2.812821      7.235525
  C      -6.706250      4.360366      7.234386
  C      -7.953254      4.820200      6.502984
  O      -7.819571      4.314388      5.154728
  C      -8.864629      3.682874      4.582500
  C     -10.199045      3.960350      4.844869
  C     -11.195182      3.271931      4.128228
  N     -10.965009      2.363385      3.190189
  C      -9.656076      2.076365      2.925447
  C      -9.354994      1.141895      1.905473
  C      -8.034967      0.864442      1.617041
  C      -7.022730      1.489973      2.370305
  N      -7.248598      2.346325      3.365432
  C      -8.550741      2.676787      3.615237
  H      -5.207766     -1.464560      4.698989
  H      -5.684023     -0.170991      3.589316
  H      -3.486936     -2.280440      3.229033
  H      -4.932099     -2.017298      2.249583
  H      -2.837038     -1.260875      1.107208
  H      -2.488823     -0.138509      2.462282
  H      -5.440567      1.274490     -0.678415
  H      -4.745963      3.111002     -2.195434
  H      -0.567203      4.456197     -0.911030
  H       0.994878      3.828139      0.981877
  H       0.279555      2.039186      2.576515
  H      -2.637244      4.394284      2.620630
  H      -3.537369      5.567299      3.598138
  H      -5.648655      4.201072      3.190395
  H      -4.701290      3.108978      2.175101
  H      -4.116099      4.999865      0.634447
  H      -5.132144      6.104170      1.590899
  H      -6.946096      6.217812      2.557413
  H      -9.322644      6.658758      2.993680
  H     -11.804536      4.128182      0.079046
  H     -11.209728      2.481642     -1.754549
  H      -8.802507      2.064604     -2.254000
  H      -6.960609      2.420045      8.211915
  H      -7.297893      2.421343      6.470102
  H      -5.824064      4.760548      6.708492
  H      -6.705840      4.784398      8.250830
  H      -8.049517      5.916764      6.466287
  H      -8.859439      4.401579      6.968461
  H     -10.487633      4.735066      5.554697
  H     -12.245507      3.504929      4.331836
  H     -10.186144      0.691487      1.361262
  H      -7.760084      0.174082      0.818410
  H      -5.977173      1.279680      2.140438
98
Coordinates from ORCA-job orca E -6374.110671470262
  N      -3.971556      0.241223      4.617239
  Mo     -4.450537      2.096974      5.140394
  N      -5.311916      2.291937      6.925273
  C      -4.414538      2.286233      8.082065
  C      -3.183670      1.466730      7.737812
  N      -2.720463      1.842152      6.366663
  C      -1.903100      0.763341      5.744283
  C      -2.817275     -0.353744      5.273511
  C      -1.994010      3.142923      6.379555
  C      -2.023160      3.765775      4.994980
  N      -3.360823      3.635542      4.434929
  H      -2.236289     -0.998030      4.587376
  H      -3.125787     -1.007129      6.117979
  H      -1.399469      1.206671      4.875013
  H      -1.138790      0.406141      6.456766
  H      -1.727868      4.829697      5.098946
  H      -1.260611      3.306701      4.330304
  H      -2.529266      3.794250      7.083504
  H      -0.964464      2.994756      6.750483
  H      -4.905416      1.832865      8.965160
  H      -4.123632      3.313628      8.390810
  H      -3.453645      0.403026      7.702723
  H      -2.365941      1.601967      8.467349
  C      -4.839026     -0.723474      3.957340
  C      -4.158534     -1.503104      2.811550
  C      -3.283449     -0.661599      1.906083
  O      -4.121876      0.341209      1.269213
  C      -3.604104      1.304533      0.465404
  C      -4.445206      1.763678     -0.540272
  C      -4.047114      2.822946     -1.368547
  N      -2.876409      3.446471     -1.280826
  C      -2.035494      3.020713     -0.295693
  C      -0.785180      3.673651     -0.149281
  C       0.068733      3.297314      0.867447
  C      -0.334308      2.268536      1.742506
  N      -1.487925      1.618762      1.642437
  C      -2.337798      1.960888      0.633270
  C      -3.533415      4.496322      3.272833
  C      -4.788918      4.155121      2.495153
  C      -5.004435      5.074447      1.302299
  O      -6.108130      4.611202      0.495414
  C      -7.358892      4.896679      0.887135
  C      -7.717453      5.743086      1.926521
  C      -9.084347      5.968917      2.186625
  N     -10.094603      5.420725      1.529618
  C      -9.761195      4.550872      0.529882
  C     -10.792442      3.884788     -0.176933
  C     -10.460698      2.987071     -1.167786
  C      -9.095440      2.764470     -1.456356
  N      -8.096072      3.366695     -0.829941
  C      -8.413210      4.247392      0.156271
  C      -6.624657      2.829944      7.241467
  C      -6.698549      4.378870      7.238961
  C      -7.932006      4.853139      6.495231
  O      -7.793498      4.339456      5.150727
  C      -8.830818      3.689063      4.584961
  C     -10.168206      3.960270      4.839667
  C     -11.157162      3.257724      4.128005
  N     -10.916597      2.343256      3.197811
  C      -9.604722      2.064044      2.939551
  C      -9.294584      1.130350      1.921758
  C      -7.971459      0.865036      1.634828
  C      -6.966363      1.497377      2.390794
  N      -7.199593      2.348851      3.389509
  C      -8.505438      2.674192      3.631961
  H      -5.234609     -1.468770      4.679966
  H      -5.706849     -0.178789      3.565636
  H      -3.503839     -2.285727      3.229356
  H      -4.939638     -2.025271      2.235187
  H      -2.833973     -1.277576      1.109487
  H      -2.490982     -0.152634      2.463456
  H      -5.431365      1.315426     -0.660115
  H      -4.736995      3.181838     -2.137819
  H      -0.541522      4.471019     -0.853227
  H       1.036332      3.782670      1.005288
  H       0.322292      1.959690      2.563598
  H      -2.652868      4.389078      2.605252
  H      -3.552411      5.565170      3.578364
  H      -5.662763      4.189308      3.165189
  H      -4.711531      3.121115      2.129254
  H      -4.144137      5.049837      0.619196
  H      -5.170311      6.122826      1.599819
  H      -6.973091      6.225823      2.557015
  H      -9.351644      6.646699      3.004654
  H     -11.826218      4.094657      0.101885
  H     -11.224582      2.446342     -1.729072
  H      -8.816670      2.048992     -2.237675
  H      -6.966213      2.443864      8.222509
  H      -7.321698      2.443204      6.484392
  H      -5.806292      4.768483      6.722164
  H      -6.703388      4.803253      8.255324
  H      -8.012250      5.950731      6.451452
  H      -8.847485      4.450603      6.956388
  H     -10.463919      4.743113      5.537641
  H     -12.209859      3.484365      4.326448
  H     -10.121883      0.674155      1.376365
  H      -7.688894      0.177935      0.836073
  H      -5.919219      1.297145      2.160310
98
Coordinates from ORCA-job orca E -6374.110946495708
  N      -4.001477      0.240321      4.603441
  Mo     -4.483100      2.096658      5.128691
  N      -5.332666      2.291464      6.919965
  C      -4.428080      2.282696      8.071346
  C      -3.201247      1.461483      7.719585
  N      -2.745200      1.840304      6.347568
  C      -1.929330      0.763213      5.721346
  C      -2.845315     -0.353627      5.256849
  C      -2.018892      3.140293      6.358691
  C      -2.047973      3.758270      4.972497
  N      -3.387568      3.631287      4.414923
  H      -2.267663     -0.999854      4.569948
  H      -3.151019     -1.004859      6.103896
  H      -1.430454      1.206210      4.849306
  H      -1.161552      0.407808      6.430869
  H      -1.749097      4.821487      5.073855
  H      -1.287517      3.295398      4.307914
  H      -2.555521      3.793648      7.059789
  H      -0.989549      2.993011      6.730880
  H      -4.915352      1.830407      8.956882
  H      -4.133134      3.309426      8.378497
  H      -3.473334      0.398417      7.683490
  H      -2.379410      1.593818      8.445053
  C      -4.861323     -0.728426      3.938870
  C      -4.168480     -1.509845      2.801582
  C      -3.281641     -0.673719      1.902574
  O      -4.109182      0.330087      1.253998
  C      -3.586635      1.307564      0.472548
  C      -4.431397      1.794624     -0.517068
  C      -4.034682      2.872492     -1.321438
  N      -2.861469      3.489998     -1.225272
  C      -2.015760      3.035111     -0.257280
  C      -0.759646      3.675560     -0.106730
  C       0.103499      3.266227      0.889042
  C      -0.297315      2.217554      1.741623
  N      -1.456802      1.579586      1.636736
  C      -2.315408      1.952960      0.646410
  C      -3.552549      4.496997      3.255139
  C      -4.804320      4.164298      2.470144
  C      -5.030280      5.102540      1.294518
  O      -6.132230      4.637457      0.486197
  C      -7.383561      4.908151      0.885557
  C      -7.745447      5.748542      1.928405
  C      -9.113552      5.961529      2.193526
  N     -10.121234      5.404835      1.539832
  C      -9.783987      4.536318      0.540175
  C     -10.811412      3.857489     -0.160047
  C     -10.474509      2.958440     -1.147892
  C      -9.108187      2.747915     -1.440684
  N      -8.112432      3.363714     -0.821752
  C      -8.434654      4.245719      0.161605
  C      -6.635734      2.846911      7.246037
  C      -6.687639      4.397007      7.240051
  C      -7.905444      4.886859      6.482155
  O      -7.763492      4.361552      5.142742
  C      -8.795164      3.694240      4.585607
  C     -10.134351      3.964252      4.833249
  C     -11.119213      3.250242      4.128731
  N     -10.872244      2.328095      3.207312
  C      -9.558710      2.051895      2.954609
  C      -9.244055      1.117546      1.939008
  C      -7.919188      0.859749      1.652050
  C      -6.918233      1.495065      2.409699
  N      -7.154447      2.342369      3.412511
  C      -8.462582      2.668142      3.648358
  H      -5.259155     -1.474288      4.659701
  H      -5.727964     -0.188054      3.540870
  H      -3.517781     -2.290850      3.228660
  H      -4.944215     -2.034129      2.219794
  H      -2.828260     -1.293827      1.111355
  H      -2.491607     -0.165954      2.464083
  H      -5.421197      1.355468     -0.640515
  H      -4.728834      3.252906     -2.076410
  H      -0.518203      4.489360     -0.792456
  H       1.076260      3.740846      1.028119
  H       0.365462      1.882091      2.547412
  H      -2.668668      4.388423      2.592175
  H      -3.567392      5.565041      3.564074
  H      -5.676750      4.182841      3.143101
  H      -4.723060      3.136837      2.087905
  H      -4.172718      5.101790      0.607267
  H      -5.208938      6.143439      1.610407
  H      -7.002917      6.236713      2.557005
  H      -9.384035      6.636030      3.013279
  H     -11.846148      4.058206      0.122030
  H     -11.234426      2.407297     -1.704393
  H      -8.825090      2.030600     -2.218967
  H      -6.971365      2.468937      8.232038
  H      -7.345073      2.465033      6.497901
  H      -5.784309      4.773579      6.732859
  H      -6.698085      4.823301      8.255652
  H      -7.966280      5.985271      6.428740
  H      -8.831320      4.504476      6.939366
  H     -10.433728      4.757315      5.518071
  H     -12.173262      3.474438      4.322686
  H     -10.069763      0.658423      1.393511
  H      -7.632284      0.174857      0.852951
  H      -5.870641      1.300750      2.177482
98
Coordinates from ORCA-job orca E -6374.111351731543
  N      -4.026229      0.236858      4.586941
  Mo     -4.507953      2.095048      5.117084
  N      -5.347733      2.280981      6.913657
  C      -4.437850      2.265490      8.061001
  C      -3.212760      1.446331      7.700184
  N      -2.762380      1.833902      6.329284
  C      -1.948865      0.760821      5.694711
  C      -2.866511     -0.355118      5.236047
  C      -2.037029      3.133064      6.342644
  C      -2.067177      3.752092      4.956976
  N      -3.409860      3.630912      4.403532
  H      -2.292460     -1.002931      4.547917
  H      -3.168212     -1.004753      6.085741
  H      -1.457465      1.206238      4.819936
  H      -1.175450      0.406169      6.398451
  H      -1.765084      4.814200      5.060709
  H      -1.310005      3.288619      4.288799
  H      -2.575884      3.785869      7.042687
  H      -1.007948      2.985751      6.715762
  H      -4.922629      1.809706      8.946011
  H      -4.141251      3.290801      8.371293
  H      -3.484261      0.383393      7.659484
  H      -2.388076      1.575280      8.422988
  C      -4.876529     -0.741393      3.923572
  C      -4.168619     -1.523387      2.795757
  C      -3.279304     -0.688314      1.898285
  O      -4.105005      0.309396      1.239446
  C      -3.588459      1.304416      0.479330
  C      -4.440733      1.809330     -0.495237
  C      -4.054592      2.907490     -1.276718
  N      -2.884681      3.530126     -1.172857
  C      -2.030953      3.056732     -0.220799
  C      -0.772837      3.692926     -0.070523
  C       0.103936      3.258564      0.902104
  C      -0.287566      2.191314      1.735773
  N      -1.448840      1.557150      1.630467
  C      -2.319411      1.952532      0.659770
  C      -3.561840      4.502506      3.247104
  C      -4.806649      4.180459      2.450594
  C      -5.037595      5.141267      1.296077
  O      -6.128101      4.671043      0.476136
  C      -7.383361      4.928092      0.869919
  C      -7.759007      5.774969      1.902211
  C      -9.130893      5.974063      2.158850
  N     -10.129140      5.394986      1.510424
  C      -9.777263      4.514314      0.526521
  C     -10.792318      3.806112     -0.162312
  C     -10.438812      2.891231     -1.129448
  C      -9.068439      2.694922     -1.413997
  N      -8.084014      3.338867     -0.805609
  C      -8.422980      4.237228      0.156458
  C      -6.643161      2.850164      7.248239
  C      -6.673455      4.401166      7.246563
  C      -7.880715      4.910331      6.486852
  O      -7.743398      4.380062      5.149768
  C      -8.774910      3.706039      4.600994
  C     -10.113848      3.978645      4.848568
  C     -11.099730      3.266689      4.144700
  N     -10.853055      2.345443      3.221687
  C      -9.539813      2.065294      2.971822
  C      -9.226959      1.137932      1.949502
  C      -7.902090      0.879274      1.662994
  C      -6.901337      1.499857      2.431849
  N      -7.134310      2.336315      3.445517
  C      -8.442507      2.673300      3.672630
  H      -5.270952     -1.487674      4.645900
  H      -5.746132     -0.210922      3.520735
  H      -3.513936     -2.295319      3.233258
  H      -4.935575     -2.058846      2.212336
  H      -2.821510     -1.310409      1.111028
  H      -2.492373     -0.176342      2.459793
  H      -5.429900      1.369555     -0.622506
  H      -4.755983      3.300249     -2.018637
  H      -0.539805      4.522605     -0.739988
  H       1.078685      3.729534      1.039803
  H       0.382618      1.839937      2.528044
  H      -2.672156      4.392630      2.592396
  H      -3.572568      5.569246      3.560563
  H      -5.680518      4.178991      3.123535
  H      -4.717350      3.161464      2.049118
  H      -4.176611      5.170078      0.613260
  H      -5.237159      6.172078      1.632117
  H      -7.024347      6.280550      2.526631
  H      -9.413104      6.656044      2.968535
  H     -11.830780      3.996031      0.113556
  H     -11.188130      2.315558     -1.675332
  H      -8.771140      1.965289     -2.175635
  H      -6.974631      2.476160      8.236901
  H      -7.363083      2.475383      6.505335
  H      -5.762944      4.766771      6.743856
  H      -6.681328      4.824118      8.263634
  H      -7.922523      6.009504      6.429698
  H      -8.813451      4.546207      6.944616
  H     -10.411058      4.774464      5.531501
  H     -12.153641      3.491231      4.339008
  H     -10.053815      0.688730      1.397374
  H      -7.614861      0.202028      0.857668
  H      -5.854863      1.300987      2.200553
98
Coordinates from ORCA-job orca E -6374.112071582789
  N      -4.021743      0.203853      4.613882
  Mo     -4.528906      2.061605      5.138368
  N      -5.361123      2.232862      6.940202
  C      -4.448460      2.223001      8.084851
  C      -3.212278      1.425154      7.717401
  N      -2.771948      1.822681      6.346299
  C      -1.945487      0.759819      5.712587
  C      -2.849261     -0.368025      5.259887
  C      -2.066560      3.132513      6.354353
  C      -2.113365      3.751402      4.967413
  N      -3.459144      3.611503      4.424291
  H      -2.269467     -1.008853      4.570374
  H      -3.136921     -1.020617      6.112472
  H      -1.460869      1.209204      4.836582
  H      -1.166069      0.417058      6.415979
  H      -1.826712      4.817748      5.069049
  H      -1.356465      3.297291      4.292809
  H      -2.613488      3.778628      7.054528
  H      -1.034137      3.000288      6.723949
  H      -4.925762      1.757058      8.968715
  H      -4.165396      3.251173      8.398400
  H      -3.466056      0.357884      7.675256
  H      -2.387220      1.565701      8.437502
  C      -4.837807     -0.799061      3.944698
  C      -4.098202     -1.549830      2.813682
  C      -3.237940     -0.685014      1.915112
  O      -4.095486      0.271648      1.239207
  C      -3.615918      1.277564      0.474172
  C      -4.490695      1.761960     -0.491773
  C      -4.138081      2.867112     -1.278625
  N      -2.981079      3.516847     -1.190590
  C      -2.106490      3.064330     -0.247547
  C      -0.858047      3.723868     -0.116664
  C       0.042319      3.305756      0.840963
  C      -0.317161      2.232177      1.680751
  N      -1.467780      1.576632      1.594686
  C      -2.361170      1.955747      0.638954
  C      -3.625733      4.484247      3.272069
  C      -4.861982      4.156934      2.464895
  C      -5.060326      5.106380      1.297066
  O      -6.146240      4.643786      0.469771
  C      -7.399898      4.938807      0.834516
  C      -7.773319      5.814963      1.842101
  C      -9.144934      6.051073      2.067561
  N     -10.144582      5.480881      1.413174
  C      -9.794695      4.569501      0.456814
  C     -10.811895      3.870617     -0.237758
  C     -10.460279      2.924654     -1.175227
  C      -9.088837      2.684447     -1.421189
  N      -8.102561      3.317038     -0.804707
  C      -8.440817      4.251053      0.121995
  C      -6.654612      2.803220      7.280746
  C      -6.663509      4.354739      7.306356
  C      -7.846694      4.896038      6.536137
  O      -7.684673      4.379898      5.198000
  C      -8.712169      3.733301      4.614036
  C     -10.051586      4.042684      4.812672
  C     -11.028822      3.362623      4.067276
  N     -10.771044      2.439063      3.149585
  C      -9.457425      2.118526      2.954747
  C      -9.131192      1.192327      1.936363
  C      -7.803643      0.898476      1.703416
  C      -6.819878      1.465982      2.532299
  N      -7.065527      2.294628      3.549963
  C      -8.371484      2.685711      3.707518
  H      -5.204457     -1.563750      4.662443
  H      -5.726201     -0.297662      3.546184
  H      -3.413413     -2.294325      3.252819
  H      -4.841408     -2.115299      2.227556
  H      -2.750579     -1.294640      1.135880
  H      -2.474204     -0.139552      2.477117
  H      -5.470810      1.298807     -0.608168
  H      -4.857260      3.240413     -2.013723
  H      -0.651224      4.558124     -0.789184
  H       1.008765      3.797019      0.966135
  H       0.366082      1.903474      2.469871
  H      -2.734357      4.387365      2.618290
  H      -3.646863      5.549050      3.589926
  H      -5.746639      4.172252      3.126704
  H      -4.776033      3.130463      2.081145
  H      -4.187588      5.109052      0.629260
  H      -5.248267      6.144392      1.617825
  H      -7.037040      6.315942      2.469420
  H      -9.426589      6.755629      2.858103
  H     -11.851217      4.093163      0.009379
  H     -11.212646      2.357662     -1.725929
  H      -8.791311      1.928738     -2.156986
  H      -6.993047      2.419666      8.263152
  H      -7.376873      2.444957      6.529530
  H      -5.739720      4.715082      6.823748
  H      -6.679371      4.758563      8.331186
  H      -7.868432      5.996460      6.491357
  H      -8.794245      4.542094      6.970401
  H     -10.351675      4.843403      5.489256
  H     -12.083310      3.613790      4.222243
  H      -9.946883      0.774028      1.344518
  H      -7.502106      0.223588      0.901588
  H      -5.773642      1.223878      2.350059
98
Coordinates from ORCA-job orca E -6374.113178336841
  N      -4.036990      0.173918      4.628271
  Mo     -4.556845      2.036513      5.141482
  N      -5.382331      2.205169      6.945990
  C      -4.469894      2.196492      8.090672
  C      -3.228835      1.408396      7.721103
  N      -2.792831      1.809884      6.350081
  C      -1.959321      0.751817      5.719451
  C      -2.855706     -0.382633      5.273598
  C      -2.098417      3.124936      6.352784
  C      -2.150611      3.737740      4.962373
  N      -3.498259      3.588051      4.422861
  H      -2.273117     -1.021846      4.585432
  H      -3.134465     -1.034160      6.130091
  H      -1.477667      1.201018      4.842030
  H      -1.177116      0.417138      6.423914
  H      -1.870970      4.806137      5.059904
  H      -1.394195      3.284135      4.287214
  H      -2.653224      3.770853      7.047167
  H      -1.065413      3.002727      6.724387
  H      -4.946026      1.727148      8.973278
  H      -4.191953      3.225720      8.405372
  H      -3.474268      0.339258      7.678717
  H      -2.403881      1.554756      8.440060
  C      -4.824426     -0.850109      3.958037
  C      -4.057650     -1.575489      2.827354
  C      -3.215941     -0.685731      1.934582
  O      -4.093723      0.236567      1.239528
  C      -3.645678      1.257476      0.480953
  C      -4.542789      1.733349     -0.470074
  C      -4.222657      2.851287     -1.251837
  N      -3.078056      3.524715     -1.174488
  C      -2.183644      3.083089     -0.245346
  C      -0.944938      3.763319     -0.128710
  C      -0.023714      3.356330      0.812745
  C      -0.355677      2.275773      1.654946
  N      -1.493171      1.597681      1.579167
  C      -2.404772      1.962664      0.636272
  C      -3.665106      4.472837      3.280832
  C      -4.893636      4.157098      2.459550
  C      -5.058128      5.098791      1.283012
  O      -6.144872      4.645133      0.453207
  C      -7.394393      4.963504      0.807539
  C      -7.756953      5.863361      1.797758
  C      -9.125681      6.123356      2.014126
  N     -10.131762      5.555893      1.367980
  C      -9.792812      4.620063      0.431521
  C     -10.818181      3.927501     -0.256220
  C     -10.478110      2.959320     -1.174587
  C      -9.109647      2.685122     -1.403231
  N      -8.115454      3.310005     -0.791070
  C      -8.443115      4.272502      0.109700
  C      -6.671465      2.786124      7.284369
  C      -6.652559      4.337562      7.320458
  C      -7.814965      4.901608      6.540254
  O      -7.632994      4.383839      5.206614
  C      -8.650353      3.738466      4.606289
  C      -9.991580      4.061691      4.771224
  C     -10.956508      3.384665      4.008700
  N     -10.683035      2.452067      3.104559
  C      -9.368271      2.115204      2.947753
  C      -9.027730      1.179263      1.943690
  C      -7.697363      0.873621      1.745677
  C      -6.731047      1.426140      2.603142
  N      -6.988920      2.257342      3.617323
  C      -8.294930      2.674673      3.726756
  H      -5.169122     -1.627633      4.672861
  H      -5.726923     -0.374514      3.561047
  H      -3.352440     -2.299520      3.268425
  H      -4.779644     -2.162021      2.235491
  H      -2.700462     -1.283627      1.164357
  H      -2.475201     -0.114689      2.501161
  H      -5.515942      1.253070     -0.576583
  H      -4.960058      3.213923     -1.974251
  H      -0.762782      4.605252     -0.798865
  H       0.933907      3.866390      0.930126
  H       0.333812      1.970697      2.445565
  H      -2.770174      4.387340      2.630464
  H      -3.688672      5.533481      3.611499
  H      -5.787309      4.190552      3.110098
  H      -4.816862      3.126118      2.087234
  H      -4.176420      5.078605      0.626172
  H      -5.233125      6.142334      1.593185
  H      -7.013637      6.367351      2.414840
  H      -9.399874      6.847282      2.789810
  H     -11.854919      4.175127     -0.022220
  H     -11.238151      2.402293     -1.724727
  H      -8.820358      1.909839     -2.121788
  H      -7.020766      2.404702      8.263595
  H      -7.395493      2.440319      6.527242
  H      -5.718198      4.683803      6.847430
  H      -6.668844      4.734623      8.347999
  H      -7.819810      6.002377      6.496920
  H      -8.773929      4.560834      6.959394
  H     -10.299326      4.869005      5.436901
  H     -12.012628      3.644514      4.135384
  H      -9.832989      0.762846      1.336217
  H      -7.381100      0.194478      0.953443
  H      -5.685114      1.166098      2.448761
98
Coordinates from ORCA-job orca E -6374.114258394971
  N      -4.069271      0.167217      4.612947
  Mo     -4.589153      2.037272      5.116560
  N      -5.413734      2.208287      6.921069
  C      -4.506476      2.193647      8.069663
  C      -3.265155      1.406118      7.702543
  N      -2.825078      1.807826      6.333169
  C      -1.991790      0.746142      5.709465
  C      -2.890115     -0.386275      5.266321
  C      -2.128708      3.121724      6.332795
  C      -2.173776      3.727962      4.938445
  N      -3.521486      3.579801      4.393258
  H      -2.307620     -1.032415      4.585303
  H      -3.173662     -1.031452      6.126195
  H      -1.504163      1.189954      4.832876
  H      -1.213633      0.412163      6.418915
  H      -1.892756      4.796145      5.033142
  H      -1.416953      3.268734      4.267903
  H      -2.688515      3.773569      7.017705
  H      -1.098169      3.000382      6.711767
  H      -4.988761      1.724150      8.948648
  H      -4.227978      3.221764      8.387218
  H      -3.511507      0.337415      7.658394
  H      -2.441968      1.550629      8.423826
  C      -4.845350     -0.869777      3.951078
  C      -4.063835     -1.591249      2.828511
  C      -3.228597     -0.693633      1.937795
  O      -4.108977      0.212299      1.227085
  C      -3.674262      1.250699      0.491217
  C      -4.590285      1.753168     -0.428712
  C      -4.289838      2.896827     -1.179593
  N      -3.147819      3.574895     -1.102237
  C      -2.233774      3.106083     -0.206546
  C      -0.994659      3.786164     -0.094430
  C      -0.051302      3.352746      0.811439
  C      -0.364445      2.247477      1.629220
  N      -1.499753      1.567427      1.554058
  C      -2.431683      1.955522      0.641424
  C      -3.666978      4.479177      3.258256
  C      -4.887394      4.192361      2.416778
  C      -5.024374      5.133985      1.239191
  O      -6.119124      4.686552      0.417050
  C      -7.362796      5.009441      0.785394
  C      -7.708696      5.926596      1.765612
  C      -9.073820      6.184293      2.004880
  N     -10.090304      5.596464      1.395419
  C      -9.766791      4.639709      0.475160
  C     -10.802886      3.918112     -0.163678
  C     -10.477159      2.926877     -1.061798
  C      -9.112832      2.660899     -1.322070
  N      -8.108529      3.310828     -0.753390
  C      -8.422544      4.295225      0.128238
  C      -6.702294      2.791970      7.255593
  C      -6.669623      4.342397      7.306157
  C      -7.823651      4.913165      6.524427
  O      -7.622275      4.391991      5.196245
  C      -8.619792      3.722709      4.589596
  C      -9.968455      4.029066      4.731219
  C     -10.910705      3.334366      3.958319
  N     -10.606832      2.401761      3.063366
  C      -9.285699      2.077998      2.934889
  C      -8.917395      1.142601      1.940522
  C      -7.579372      0.850982      1.771401
  C      -6.638038      1.405434      2.652829
  N      -6.920383      2.234366      3.666243
  C      -8.232985      2.651829      3.734333
  H      -5.183261     -1.647573      4.668825
  H      -5.752281     -0.407215      3.550536
  H      -3.349290     -2.302103      3.276086
  H      -4.773419     -2.192351      2.236447
  H      -2.700810     -1.289374      1.174336
  H      -2.497457     -0.112056      2.504835
  H      -5.566450      1.277270     -0.527207
  H      -5.044551      3.278195     -1.873778
  H      -0.830196      4.650642     -0.740047
  H       0.905767      3.864188      0.926589
  H       0.334663      1.930596      2.405152
  H      -2.765530      4.390333      2.617556
  H      -3.678333      5.535953      3.601476
  H      -5.788309      4.239496      3.057504
  H      -4.822858      3.160256      2.045384
  H      -4.139860      5.099863      0.585493
  H      -5.189142      6.179605      1.546940
  H      -6.954608      6.447455      2.355194
  H      -9.335985      6.924598      2.769204
  H     -11.835533      4.160625      0.092520
  H     -11.245571      2.344566     -1.571674
  H      -8.834801      1.868295     -2.025998
  H      -7.059251      2.408683      8.230951
  H      -7.425077      2.453643      6.492802
  H      -5.730942      4.687155      6.840350
  H      -6.686368      4.730392      8.337263
  H      -7.825927      6.013870      6.479834
  H      -8.786279      4.574947      6.936567
  H     -10.297340      4.834756      5.389354
  H     -11.972663      3.578738      4.064320
  H      -9.706397      0.720972      1.314841
  H      -7.238515      0.178530      0.983979
  H      -5.587982      1.148573      2.519225
98
Coordinates from ORCA-job orca E -6374.115376955213
  N      -4.076625      0.144725      4.605734
  Mo     -4.613258      2.024053      5.083648
  N      -5.446431      2.208127      6.882394
  C      -4.552581      2.202797      8.041009
  C      -3.304041      1.421778      7.690392
  N      -2.855122      1.815765      6.322432
  C      -2.010506      0.752830      5.719312
  C      -2.898317     -0.387961      5.280715
  C      -2.168806      3.134672      6.313598
  C      -2.204356      3.723836      4.911782
  N      -3.546152      3.561224      4.349248
  H      -2.303668     -1.040412      4.617195
  H      -3.187370     -1.023022      6.146322
  H      -1.513841      1.188643      4.843855
  H      -1.238909      0.430190      6.441345
  H      -1.932460      4.794917      4.998194
  H      -1.438128      3.261266      4.255281
  H      -2.743448      3.792287      6.980828
  H      -1.141434      3.027687      6.705610
  H      -5.043888      1.737454      8.916876
  H      -4.281690      3.234093      8.354418
  H      -3.543409      0.351501      7.651386
  H      -2.488342      1.576253      8.417973
  C      -4.826983     -0.922106      3.962751
  C      -4.020646     -1.640894      2.856151
  C      -3.193676     -0.735525      1.965249
  O      -4.078656      0.135575      1.220675
  C      -3.667100      1.186811      0.496474
  C      -4.600110      1.682200     -0.412003
  C      -4.328926      2.839448     -1.151759
  N      -3.202575      3.542543     -1.073913
  C      -2.273348      3.082932     -0.189531
  C      -1.051439      3.791735     -0.074351
  C      -0.093440      3.372546      0.821532
  C      -0.378774      2.253700      1.631768
  N      -1.494182      1.544633      1.550094
  C      -2.437941      1.916021      0.643368
  C      -3.672412      4.485611      3.230410
  C      -4.878463      4.230731      2.360630
  C      -4.981470      5.184875      1.192138
  O      -6.097017      4.771416      0.379434
  C      -7.329066      5.098508      0.781649
  C      -7.643182      6.018911      1.769964
  C      -8.999826      6.274780      2.054209
  N     -10.034790      5.679469      1.485932
  C      -9.741235      4.717109      0.561618
  C     -10.796544      3.980642     -0.025004
  C     -10.499769      2.985109     -0.927721
  C      -9.146152      2.732125     -1.248517
  N      -8.123603      3.392644     -0.725501
  C      -8.409451      4.379033      0.164076
  C      -6.737075      2.794391      7.199086
  C      -6.689981      4.344397      7.252119
  C      -7.845785      4.913321      6.477260
  O      -7.633862      4.382165      5.156334
  C      -8.614865      3.685395      4.555286
  C      -9.970717      3.960285      4.701314
  C     -10.897245      3.240024      3.935267
  N     -10.569783      2.314247      3.041091
  C      -9.242099      2.019098      2.912451
  C      -8.857773      1.086251      1.922287
  C      -7.512862      0.822487      1.755027
  C      -6.584322      1.393024      2.636779
  N      -6.876783      2.218695      3.654303
  C      -8.200351      2.619114      3.710610
  H      -5.151708     -1.696865      4.689769
  H      -5.742270     -0.487760      3.550877
  H      -3.294348     -2.330354      3.317924
  H      -4.710604     -2.264234      2.264406
  H      -2.640879     -1.331372      1.219864
  H      -2.482542     -0.131405      2.532790
  H      -5.569287      1.191712     -0.505378
  H      -5.098214      3.211607     -1.834545
  H      -0.912039      4.668069     -0.709766
  H       0.849367      3.908518      0.941265
  H       0.320258      1.959094      2.414349
  H      -2.760643      4.410140      2.602540
  H      -3.684006      5.533764      3.599721
  H      -5.790079      4.281387      2.985598
  H      -4.819184      3.203901      1.973829
  H      -4.099713      5.131214      0.534203
  H      -5.119092      6.230721      1.511067
  H      -6.870365      6.546065      2.328603
  H      -9.238446      7.020959      2.820517
  H     -11.819536      4.214304      0.274040
  H     -11.283883      2.390448     -1.396545
  H      -8.891019      1.940531     -1.962101
  H      -7.110256      2.417066      8.170532
  H      -7.451216      2.458444      6.427183
  H      -5.753541      4.684318      6.778147
  H      -6.693749      4.730639      8.284052
  H      -7.853808      6.013726      6.427190
  H      -8.806215      4.573054      6.892635
  H     -10.315987      4.754987      5.364534
  H     -11.965045      3.456424      4.041474
  H      -9.638719      0.648169      1.297085
  H      -7.156351      0.159386      0.967050
  H      -5.531110      1.149255      2.501976
98
Coordinates from ORCA-job orca E -6374.116287379594
  N      -4.111250      0.149683      4.576651
  Mo     -4.644347      2.035091      5.061766
  N      -5.478482      2.219077      6.859835
  C      -4.593639      2.209929      8.023319
  C      -3.347869      1.424134      7.678977
  N      -2.890325      1.815816      6.313973
  C      -2.049207      0.748304      5.715605
  C      -2.939574     -0.385970      5.263899
  C      -2.199464      3.132882      6.310625
  C      -2.231145      3.729731      4.912419
  N      -3.569377      3.568674      4.333905
  H      -2.339430     -1.038920      4.606241
  H      -3.240443     -1.023003      6.124104
  H      -1.538391      1.182907      4.847094
  H      -1.287608      0.417575      6.444551
  H      -1.963552      4.800833      5.006040
  H      -1.460124      3.271788      4.258946
  H      -2.773239      3.791154      6.978226
  H      -1.172967      3.022443      6.703721
  H      -5.094713      1.748882      8.895593
  H      -4.319207      3.240187      8.336804
  H      -3.591952      0.355109      7.638015
  H      -2.535457      1.574459      8.410988
  C      -4.858320     -0.922860      3.938492
  C      -4.044742     -1.650096      2.841977
  C      -3.201988     -0.750432      1.960605
  O      -4.068567      0.107185      1.181352
  C      -3.654820      1.163364      0.467035
  C      -4.579921      1.649297     -0.456152
  C      -4.308042      2.804226     -1.198160
  N      -3.190738      3.518462     -1.106985
  C      -2.271659      3.073817     -0.204335
  C      -1.069202      3.808511     -0.060707
  C      -0.125458      3.414151      0.861074
  C      -0.407144      2.290525      1.666105
  N      -1.501956      1.554818      1.555978
  C      -2.433753      1.905896      0.627920
  C      -3.673797      4.520822      3.232198
  C      -4.861572      4.296791      2.328329
  C      -4.930553      5.255610      1.162237
  O      -6.054737      4.858957      0.349116
  C      -7.281462      5.172717      0.781457
  C      -7.578567      6.106195      1.764305
  C      -8.928021      6.342622      2.093616
  N      -9.971018      5.718250      1.574557
  C      -9.693235      4.746590      0.654828
  C     -10.755842      3.977654      0.127156
  C     -10.476664      2.977919     -0.775579
  C      -9.134838      2.754505     -1.159123
  N      -8.103487      3.440914     -0.686937
  C      -8.371515      4.428691      0.208344
  C      -6.764222      2.816473      7.163937
  C      -6.690742      4.366019      7.194548
  C      -7.837244      4.930845      6.402815
  O      -7.614729      4.366028      5.096185
  C      -8.590221      3.646538      4.512727
  C      -9.947548      3.904336      4.681086
  C     -10.877397      3.149497      3.956211
  N     -10.552249      2.206924      3.079775
  C      -9.223546      1.928549      2.927573
  C      -8.854505      0.963996      1.962971
  C      -7.509667      0.704822      1.777636
  C      -6.568247      1.311892      2.616926
  N      -6.840567      2.173733      3.615269
  C      -8.171397      2.568013      3.684175
  H      -5.190286     -1.691718      4.668284
  H      -5.771000     -0.489955      3.516587
  H      -3.326945     -2.341657      3.313306
  H      -4.728772     -2.272438      2.243021
  H      -2.628499     -1.352229      1.235812
  H      -2.504675     -0.141159      2.538654
  H      -5.543548      1.150971     -0.561088
  H      -5.070887      3.164788     -1.894002
  H      -0.933666      4.686940     -0.694092
  H       0.800667      3.972481      1.005115
  H       0.273685      2.018917      2.471633
  H      -2.749431      4.461485      2.619973
  H      -3.689111      5.557987      3.632093
  H      -5.789179      4.347252      2.926466
  H      -4.800988      3.276724      1.925159
  H      -4.047765      5.182773      0.508472
  H      -5.049065      6.302749      1.484221
  H      -6.797236      6.659920      2.282891
  H      -9.153396      7.100864      2.852044
  H     -11.769547      4.191088      0.469155
  H     -11.267499      2.357875     -1.196772
  H      -8.897576      1.970646     -1.886689
  H      -7.152471      2.456418      8.136352
  H      -7.474400      2.480981      6.390623
  H      -5.750855      4.683880      6.713314
  H      -6.685542      4.767390      8.220737
  H      -7.839760      6.029782      6.329271
  H      -8.802950      4.605646      6.818076
  H     -10.290727      4.702607      5.340285
  H     -11.946501      3.349145      4.079728
  H      -9.645460      0.494499      1.373474
  H      -7.163060      0.016384      1.007461
  H      -5.519182      1.057529      2.472072
98
Coordinates from ORCA-job orca E -6374.117257204301
  N      -4.132170      0.151038      4.578432
  Mo     -4.667441      2.039824      5.063467
  N      -5.497351      2.225722      6.864049
  C      -4.614709      2.218762      8.027544
  C      -3.369219      1.432686      7.685375
  N      -2.911225      1.819830      6.320102
  C      -2.070718      0.749993      5.725291
  C      -2.960629     -0.383128      5.268809
  C      -2.219170      3.135981      6.314178
  C      -2.256810      3.736163      4.917848
  N      -3.594744      3.572411      4.336185
  H      -2.357395     -1.034462      4.612298
  H      -3.263979     -1.022309      6.126635
  H      -1.552736      1.183766      4.860201
  H      -1.313348      0.416809      6.457496
  H      -1.994705      4.808106      5.012589
  H      -1.485347      3.282363      4.262121
  H      -2.786951      3.794401      6.986906
  H      -1.190532      3.023805      6.700514
  H      -5.118288      1.759880      8.899430
  H      -4.341428      3.249983      8.338879
  H      -3.613181      0.363442      7.647186
  H      -2.556747      1.584935      8.416807
  C      -4.878084     -0.925770      3.945777
  C      -4.066905     -1.647411      2.843777
  C      -3.228370     -0.739044      1.967162
  O      -4.095770      0.116096      1.186115
  C      -3.680082      1.165701      0.461316
  C      -4.608239      1.654279     -0.458655
  C      -4.326802      2.795498     -1.217916
  N      -3.197878      3.493264     -1.148273
  C      -2.277581      3.050279     -0.245831
  C      -1.072888      3.782128     -0.109182
  C      -0.137122      3.402622      0.827453
  C      -0.426120      2.291363      1.646310
  N      -1.520005      1.553952      1.539447
  C      -2.449189      1.896787      0.604756
  C      -3.684077      4.522738      3.228948
  C      -4.855467      4.308692      2.302837
  C      -4.896333      5.266430      1.134593
  O      -6.023828      4.884293      0.317491
  C      -7.245796      5.195185      0.767912
  C      -7.526962      6.138902      1.746521
  C      -8.868836      6.369749      2.107156
  N      -9.919337      5.731096      1.621897
  C      -9.656560      4.751805      0.705476
  C     -10.726403      3.966576      0.217811
  C     -10.464770      2.963661     -0.686280
  C      -9.133613      2.752561     -1.110911
  N      -8.094541      3.450625     -0.672972
  C      -8.344691      4.440648      0.225334
  C      -6.785722      2.815751      7.164877
  C      -6.720164      4.365742      7.208277
  C      -7.867756      4.921714      6.409780
  O      -7.626444      4.360586      5.103132
  C      -8.585088      3.625936      4.509769
  C      -9.948912      3.853954      4.674697
  C     -10.858877      3.081057      3.944086
  N     -10.509718      2.155030      3.060213
  C      -9.174819      1.908336      2.908004
  C      -8.783760      0.965172      1.931456
  C      -7.432219      0.740364      1.745744
  C      -6.507465      1.346089      2.602744
  N      -6.799862      2.182064      3.620464
  C      -8.139608      2.559056      3.678751
  H      -5.202726     -1.694226      4.679012
  H      -5.795411     -0.497424      3.527620
  H      -3.346963     -2.340486      3.309468
  H      -4.748611     -2.268331      2.240899
  H      -2.645430     -1.334453      1.244636
  H      -2.537025     -0.129163      2.551456
  H      -5.578810      1.166632     -0.550227
  H      -5.090355      3.157225     -1.912494
  H      -0.932465      4.651475     -0.753970
  H       0.786920      3.964071      0.972397
  H       0.246593      2.035151      2.462937
  H      -2.751521      4.460514      2.629177
  H      -3.700818      5.558732      3.631347
  H      -5.796532      4.358141      2.877876
  H      -4.791032      3.292499      1.891404
  H      -4.011633      5.170354      0.487797
  H      -4.995525      6.316733      1.452885
  H      -6.737897      6.704336      2.240035
  H      -9.081198      7.136778      2.860446
  H     -11.731377      4.172380      0.588622
  H     -11.262466      2.330867     -1.075472
  H      -8.913621      1.973966     -1.849017
  H      -7.182009      2.446055      8.130516
  H      -7.487548      2.484580      6.383014
  H      -5.781187      4.693855      6.733089
  H      -6.720287      4.758029      8.237969
  H      -7.884749      6.020362      6.337087
  H      -8.831927      4.582667      6.816636
  H     -10.312473      4.638305      5.339019
  H     -11.932811      3.254664      4.065507
  H      -9.561657      0.486725      1.332898
  H      -7.068120      0.073999      0.964460
  H      -5.455130      1.103519      2.464041
98
Coordinates from ORCA-job orca E -6374.118245760792
  N      -4.155358      0.153026      4.563370
  Mo     -4.697131      2.041504      5.055165
  N      -5.526369      2.228706      6.858328
  C      -4.648207      2.214623      8.023830
  C      -3.405121      1.424869      7.683937
  N      -2.942416      1.813275      6.321907
  C      -2.100308      0.743641      5.729464
  C      -2.988385     -0.385236      5.258691
  C      -2.245961      3.127635      6.322499
  C      -2.284865      3.737345      4.931265
  N      -3.620969      3.573709      4.342286
  H      -2.380265     -1.031643      4.601229
  H      -3.298598     -1.031092      6.109074
  H      -1.570276      1.180312      4.872639
  H      -1.351135      0.403559      6.466826
  H      -2.027838      4.809807      5.030940
  H      -1.511256      3.289808      4.273675
  H      -2.805790      3.783397      7.004436
  H      -1.215909      3.009138      6.702736
  H      -5.158131      1.756040      8.892140
  H      -4.372932      3.244304      8.338689
  H      -3.652627      0.356307      7.642315
  H      -2.594066      1.572402      8.417907
  C      -4.896853     -0.920790      3.920810
  C      -4.079647     -1.630741      2.814209
  C      -3.235338     -0.711633      1.952969
  O      -4.097810      0.145330      1.168515
  C      -3.668462      1.180612      0.427953
  C      -4.596611      1.683213     -0.485171
  C      -4.299013      2.813779     -1.254578
  N      -3.154693      3.487209     -1.202176
  C      -2.236805      3.035565     -0.301857
  C      -1.027702      3.759851     -0.163287
  C      -0.108627      3.390725      0.794077
  C      -0.413949      2.290405      1.621127
  N      -1.506954      1.553141      1.506986
  C      -2.425125      1.892349      0.559544
  C      -3.695569      4.521617      3.229340
  C      -4.854324      4.310199      2.288523
  C      -4.872408      5.254573      1.109514
  O      -6.004140      4.875240      0.294552
  C      -7.224337      5.183686      0.757546
  C      -7.499879      6.151536      1.715042
  C      -8.837069      6.381572      2.092008
  N      -9.889587      5.723549      1.637391
  C      -9.631843      4.725606      0.739505
  C     -10.704445      3.925815      0.281930
  C     -10.451240      2.910981     -0.611562
  C      -9.125590      2.701962     -1.054605
  N      -8.083775      3.411015     -0.642279
  C      -8.325077      4.411948      0.246304
  C      -6.812894      2.822242      7.159729
  C      -6.741533      4.372453      7.231150
  C      -7.884346      4.942149      6.432318
  O      -7.639685      4.386921      5.122504
  C      -8.591471      3.638199      4.533682
  C      -9.959535      3.843069      4.701193
  C     -10.856743      3.044401      3.982229
  N     -10.493403      2.122266      3.100887
  C      -9.154606      1.905105      2.939590
  C      -8.748556      0.977520      1.954600
  C      -7.392566      0.792761      1.756109
  C      -6.478133      1.399682      2.622012
  N      -6.784884      2.210222      3.658321
  C      -8.131039      2.572532      3.709978
  H      -5.220146     -1.692342      4.650714
  H      -5.814351     -0.492275      3.501541
  H      -3.363524     -2.330127      3.276680
  H      -4.754635     -2.244635      2.196934
  H      -2.636208     -1.297964      1.236331
  H      -2.555395     -0.104380      2.552733
  H      -5.578043      1.215066     -0.563443
  H      -5.061196      3.187188     -1.944681
  H      -0.876141      4.622570     -0.814445
  H       0.812382      3.954168      0.949878
  H       0.244259      2.045165      2.452000
  H      -2.757455      4.452269      2.638463
  H      -3.712063      5.557765      3.630735
  H      -5.807229      4.361157      2.840422
  H      -4.786514      3.294839      1.877377
  H      -3.987486      5.127972      0.469067
  H      -4.949500      6.311069      1.412428
  H      -6.709444      6.737419      2.181604
  H      -9.044012      7.167296      2.827164
  H     -11.704864      4.132754      0.663766
  H     -11.252806      2.266874     -0.975559
  H      -8.915039      1.921299     -1.793064
  H      -7.221715      2.436497      8.113668
  H      -7.509364      2.510283      6.365777
  H      -5.799468      4.705230      6.766061
  H      -6.744221      4.745450      8.267735
  H      -7.898951      6.040864      6.366298
  H      -8.850301      4.600910      6.831764
  H     -10.336982      4.624169      5.360544
  H     -11.933597      3.194309      4.110294
  H      -9.516384      0.482150      1.358546
  H      -7.017073      0.146826      0.963387
  H      -5.423643      1.168981      2.482772
98
Coordinates from ORCA-job orca E -6374.118960250992
  N      -4.169629      0.164458      4.557606
  Mo     -4.713878      2.048130      5.068861
  N      -5.530229      2.231816      6.880050
  C      -4.646854      2.209591      8.040445
  C      -3.410404      1.413591      7.691766
  N      -2.951763      1.807161      6.330809
  C      -2.114111      0.738433      5.729724
  C      -3.006420     -0.383939      5.250474
  C      -2.248713      3.118533      6.339014
  C      -2.297893      3.742042      4.955399
  N      -3.637226      3.584857      4.370058
  H      -2.400402     -1.027630      4.587855
  H      -3.320341     -1.034967      6.095590
  H      -1.581518      1.179463      4.876485
  H      -1.365886      0.389774      6.464026
  H      -2.040683      4.813873      5.060410
  H      -1.528293      3.300305      4.288775
  H      -2.794260      3.768641      7.037507
  H      -1.214877      2.990106      6.705594
  H      -5.155727      1.750851      8.909428
  H      -4.365582      3.236963      8.357510
  H      -3.663653      0.346265      7.645755
  H      -2.595502      1.552949      8.423219
  C      -4.917390     -0.898488      3.904088
  C      -4.103904     -1.604330      2.791111
  C      -3.257065     -0.680641      1.935683
  O      -4.118331      0.178600      1.151186
  C      -3.670771      1.197372      0.394795
  C      -4.589469      1.706138     -0.524241
  C      -4.272043      2.826294     -1.301856
  N      -3.117330      3.482367     -1.252372
  C      -2.209521      3.026727     -0.344291
  C      -0.992227      3.737640     -0.203595
  C      -0.089910      3.371637      0.771063
  C      -0.416249      2.284115      1.606332
  N      -1.514285      1.554723      1.487238
  C      -2.418876      1.893768      0.526056
  C      -3.711641      4.537918      3.258743
  C      -4.859172      4.319703      2.305558
  C      -4.861374      5.250128      1.113779
  O      -5.988640      4.867959      0.290901
  C      -7.215124      5.171703      0.746739
  C      -7.505093      6.155724      1.683793
  C      -8.844997      6.376381      2.056883
  N      -9.888885      5.696320      1.613302
  C      -9.616586      4.687659      0.731631
  C     -10.679425      3.870346      0.280844
  C     -10.413125      2.847892     -0.600875
  C      -9.084185      2.650698     -1.040366
  N      -8.052057      3.375048     -0.632957
  C      -8.305276      4.381452      0.245547
  C      -6.813581      2.827324      7.189240
  C      -6.739450      4.378038      7.258565
  C      -7.874132      4.951160      6.448044
  O      -7.630837      4.384722      5.141238
  C      -8.589331      3.633720      4.563333
  C      -9.957245      3.840377      4.735967
  C     -10.858494      3.036121      4.027679
  N     -10.501975      2.114180      3.144463
  C      -9.164105      1.903586      2.968052
  C      -8.762811      0.999254      1.959924
  C      -7.408110      0.838206      1.735988
  C      -6.488147      1.425095      2.609073
  N      -6.791942      2.199583      3.675245
  C      -8.137648      2.565074      3.737299
  H      -5.244360     -1.670283      4.631557
  H      -5.831526     -0.461493      3.486477
  H      -3.390581     -2.309776      3.249137
  H      -4.778491     -2.212711      2.168030
  H      -2.647389     -1.261138      1.223305
  H      -2.584630     -0.074096      2.544065
  H      -5.578186      1.252588     -0.601004
  H      -5.025903      3.206756     -1.997546
  H      -0.824318      4.591590     -0.862229
  H       0.832134      3.931083      0.934979
  H       0.229290      2.043065      2.448404
  H      -2.769084      4.474413      2.674079
  H      -3.737532      5.571379      3.665838
  H      -5.822196      4.372308      2.836920
  H      -4.786943      3.303070      1.900306
  H      -3.972047      5.103611      0.484288
  H      -4.926527      6.311610      1.400705
  H      -6.723731      6.760576      2.141447
  H      -9.061685      7.172874      2.777328
  H     -11.682832      4.070506      0.658270
  H     -11.207167      2.187744     -0.954180
  H      -8.863299      1.865190     -1.770526
  H      -7.220211      2.438538      8.142689
  H      -7.514003      2.517876      6.398211
  H      -5.792426      4.706247      6.800459
  H      -6.749193      4.752182      8.294412
  H      -7.878013      6.048910      6.372843
  H      -8.844524      4.620640      6.844356
  H     -10.333363      4.627343      5.388428
  H     -11.934501      3.182320      4.167963
  H      -9.531651      0.508864      1.362497
  H      -7.037213      0.219956      0.919489
  H      -5.434590      1.197790      2.457285
98
Coordinates from ORCA-job orca E -6374.119503179418
  N      -4.167768      0.173877      4.536037
  Mo     -4.729320      2.049676      5.053353
  N      -5.549404      2.222837      6.864521
  C      -4.670959      2.188951      8.028726
  C      -3.430857      1.399031      7.677304
  N      -2.967796      1.809813      6.323234
  C      -2.121337      0.752887      5.713832
  C      -3.003755     -0.372581      5.225454
  C      -2.270124      3.124139      6.347189
  C      -2.321246      3.762708      4.970814
  N      -3.659313      3.604152      4.381823
  H      -2.392824     -1.007516      4.558637
  H      -3.315179     -1.031415      6.065481
  H      -1.592215      1.205461      4.864840
  H      -1.370004      0.403897      6.445014
  H      -2.070670      4.835264      5.086609
  H      -1.547465      3.333655      4.299985
  H      -2.816152      3.762525      7.055569
  H      -1.235264      2.995692      6.711098
  H      -5.183790      1.720022      8.889983
  H      -4.394156      3.213376      8.358319
  H      -3.681158      0.331563      7.618696
  H      -2.619934      1.531990      8.414380
  C      -4.920279     -0.886318      3.886288
  C      -4.112678     -1.588955      2.766779
  C      -3.268188     -0.661758      1.910321
  O      -4.130604      0.213338      1.144768
  C      -3.661983      1.219140      0.381711
  C      -4.567061      1.740034     -0.543617
  C      -4.224575      2.852350     -1.322819
  N      -3.057438      3.487098     -1.269876
  C      -2.161755      3.016837     -0.357719
  C      -0.926586      3.698197     -0.220049
  C      -0.036255      3.315593      0.758735
  C      -0.391552      2.242572      1.600856
  N      -1.505377      1.537506      1.482490
  C      -2.398130      1.891968      0.516344
  C      -3.724114      4.559909      3.271711
  C      -4.864947      4.337848      2.311485
  C      -4.870883      5.252030      1.107064
  O      -5.994210      4.845943      0.287833
  C      -7.221883      5.149835      0.744439
  C      -7.507494      6.151045      1.663876
  C      -8.844279      6.377824      2.043308
  N      -9.890595      5.691485      1.615714
  C      -9.623311      4.670446      0.747499
  C     -10.694251      3.864015      0.296783
  C     -10.437703      2.836583     -0.581843
  C      -9.107744      2.616800     -1.008971
  N      -8.068342      3.330891     -0.602125
  C      -8.313423      4.349820      0.264628
  C      -6.831363      2.823995      7.173682
  C      -6.744940      4.373475      7.256882
  C      -7.873188      4.968661      6.454465
  O      -7.637004      4.419290      5.139563
  C      -8.591113      3.649567      4.575600
  C      -9.961474      3.848431      4.741594
  C     -10.855597      3.023175      4.048628
  N     -10.490981      2.085580      3.185326
  C      -9.151315      1.886066      3.011145
  C      -8.739008      0.971605      2.016393
  C      -7.383625      0.834423      1.785723
  C      -6.469880      1.442819      2.649997
  N      -6.784251      2.217213      3.713456
  C      -8.132446      2.571700      3.767876
  H      -5.244450     -1.656243      4.616814
  H      -5.834091     -0.447974      3.472450
  H      -3.398989     -2.298819      3.217737
  H      -4.791073     -2.192182      2.142952
  H      -2.668913     -1.239318      1.187017
  H      -2.586364     -0.065259      2.517759
  H      -5.564739      1.305767     -0.622288
  H      -4.967237      3.245675     -2.023762
  H      -0.735717      4.543496     -0.883380
  H       0.897734      3.854787      0.922741
  H       0.242760      1.994178      2.448835
  H      -2.776620      4.494470      2.695683
  H      -3.752832      5.592541      3.679546
  H      -5.830975      4.390298      2.837089
  H      -4.787903      3.318390      1.916996
  H      -3.977904      5.104416      0.481527
  H      -4.946020      6.317402      1.376826
  H      -6.724246      6.766426      2.104615
  H      -9.056252      7.186132      2.751631
  H     -11.697267      4.081675      0.665466
  H     -11.241217      2.192348     -0.944015
  H      -8.894335      1.821948     -1.731138
  H      -7.243474      2.428260      8.121410
  H      -7.532621      2.525618      6.377722
  H      -5.793786      4.696385      6.802943
  H      -6.753367      4.737851      8.296083
  H      -7.862064      6.066812      6.393660
  H      -8.846603      4.643881      6.846307
  H     -10.346221      4.650380      5.370397
  H     -11.932704      3.161476      4.188056
  H      -9.500326      0.452096      1.434967
  H      -7.006304      0.214675      0.973287
  H      -5.414652      1.226418      2.500699
98
Coordinates from ORCA-job orca E -6374.119861875090
  N      -4.148801      0.172336      4.537474
  Mo     -4.727550      2.042443      5.053261
  N      -5.551528      2.213855      6.862658
  C      -4.676538      2.178851      8.029742
  C      -3.431418      1.396057      7.679095
  N      -2.966680      1.813998      6.327488
  C      -2.109916      0.764917      5.718470
  C      -2.982287     -0.366985      5.226968
  C      -2.277998      3.133541      6.355294
  C      -2.329692      3.771911      4.978401
  N      -3.665514      3.604934      4.386281
  H      -2.366344     -0.996436      4.559522
  H      -3.289493     -1.029342      6.065808
  H      -1.583383      1.222701      4.870896
  H      -1.356889      0.421378      6.450618
  H      -2.085702      4.846083      5.093568
  H      -1.551329      3.347243      4.309882
  H      -2.829792      3.767392      7.063123
  H      -1.243188      3.011701      6.721850
  H      -5.189914      1.704740      8.887849
  H      -4.405027      3.203139      8.363926
  H      -3.676550      0.327705      7.616043
  H      -2.623569      1.530000      8.419415
  C      -4.898475     -0.891911      3.891125
  C      -4.091550     -1.595431      2.771119
  C      -3.249526     -0.669772      1.909980
  O      -4.113802      0.206557      1.147470
  C      -3.643249      1.210000      0.382431
  C      -4.549055      1.730191     -0.542419
  C      -4.208775      2.844505     -1.319664
  N      -3.042462      3.481262     -1.266288
  C      -2.144772      3.009104     -0.357696
  C      -0.907760      3.688733     -0.222989
  C      -0.014908      3.303556      0.751850
  C      -0.370229      2.232206      1.596509
  N      -1.485665      1.529575      1.480706
  C      -2.379575      1.883477      0.515808
  C      -3.738124      4.566722      3.281696
  C      -4.879094      4.338469      2.322093
  C      -4.888096      5.240697      1.108886
  O      -6.016043      4.829525      0.298692
  C      -7.241946      5.145027      0.752780
  C      -7.520522      6.150213      1.669620
  C      -8.856378      6.391675      2.043625
  N      -9.908477      5.718242      1.609544
  C      -9.648985      4.695679      0.741182
  C     -10.729292      3.912771      0.271701
  C     -10.481244      2.886294     -0.610541
  C      -9.148687      2.637503     -1.013726
  N      -8.101681      3.330165     -0.590608
  C      -8.339423      4.355385      0.270713
  C      -6.833365      2.818163      7.167164
  C      -6.738979      4.366698      7.246868
  C      -7.859757      4.969489      6.441778
  O      -7.626238      4.417759      5.127690
  C      -8.582621      3.644317      4.571643
  C      -9.951836      3.851434      4.736633
  C     -10.851215      3.025439      4.051765
  N     -10.492308      2.078271      3.196359
  C      -9.153808      1.871989      3.021072
  C      -8.746870      0.949570      2.031492
  C      -7.393243      0.811827      1.792764
  C      -6.474674      1.425570      2.647642
  N      -6.783523      2.201767      3.711386
  C      -8.130449      2.559758      3.770130
  H      -5.218634     -1.661295      4.624073
  H      -5.813932     -0.457491      3.477420
  H      -3.375946     -2.303707      3.221526
  H      -4.771310     -2.200205      2.150237
  H      -2.653803     -1.248881      1.185147
  H      -2.565309     -0.073085      2.514074
  H      -5.546597      1.295318     -0.620746
  H      -4.951861      3.237668     -2.020315
  H      -0.717045      4.533654     -0.886775
  H       0.921270      3.840179      0.911820
  H       0.264076      1.983813      2.444596
  H      -2.790441      4.511108      2.705470
  H      -3.774593      5.597111      3.694103
  H      -5.844100      4.397119      2.849685
  H      -4.804303      3.314509      1.938337
  H      -3.997818      5.088418      0.480076
  H      -4.961900      6.308580      1.368843
  H      -6.732737      6.758332      2.112353
  H      -9.062356      7.201203      2.752262
  H     -11.733251      4.150819      0.625068
  H     -11.293709      2.267793     -0.996728
  H      -8.939890      1.836625     -1.730542
  H      -7.249205      2.425663      8.114450
  H      -7.534181      2.520125      6.369764
  H      -5.784270      4.681846      6.794786
  H      -6.748950      4.734532      8.285010
  H      -7.836265      6.067380      6.379786
  H      -8.837247      4.655077      6.831773
  H     -10.332151      4.663555      5.355299
  H     -11.927301      3.170560      4.191677
  H      -9.510912      0.422273      1.461067
  H      -7.020789      0.188389      0.980827
  H      -5.420047      1.210470      2.493423
98
Coordinates from ORCA-job orca E -6374.123665522071
  N      -4.229447      0.186684      4.539929
  Mo     -4.818944      2.057641      5.065226
  N      -5.606092      2.203768      6.895561
  C      -4.721302      2.157265      8.051731
  C      -3.481266      1.384432      7.677755
  N      -3.038783      1.821157      6.327072
  C      -2.179678      0.786099      5.704642
  C      -3.052997     -0.346474      5.219993
  C      -2.358145      3.140915      6.369592
  C      -2.419377      3.788643      5.002502
  N      -3.754168      3.626845      4.404880
  H      -2.439611     -0.970880      4.545300
  H      -3.348871     -1.013616      6.058627
  H      -1.662783      1.251879      4.853834
  H      -1.418306      0.441765      6.427419
  H      -2.178243      4.861840      5.126264
  H      -1.641101      3.373287      4.329010
  H      -2.907082      3.763509      7.089503
  H      -1.320150      3.021536      6.727779
  H      -5.223467      1.671857      8.909945
  H      -4.448789      3.178540      8.395350
  H      -3.721921      0.315761      7.604692
  H      -2.664504      1.513488      8.409554
  C      -4.963778     -0.898136      3.897358
  C      -4.143192     -1.633838      2.806489
  C      -3.276058     -0.748345      1.932974
  O      -4.113364      0.094424      1.101823
  C      -3.621164      1.063823      0.301341
  C      -4.483802      1.487438     -0.707360
  C      -4.124514      2.540700     -1.557909
  N      -2.977174      3.206089     -1.496405
  C      -2.122007      2.834485     -0.504220
  C      -0.914351      3.561821     -0.360163
  C      -0.068903      3.287884      0.691190
  C      -0.441120      2.276566      1.601599
  N      -1.528987      1.532852      1.484481
  C      -2.377928      1.778969      0.446892
  C      -3.820150      4.615404      3.313903
  C      -4.947693      4.423541      2.329953
  C      -4.959542      5.383806      1.155822
  O      -6.088295      5.007258      0.324410
  C      -7.320012      5.307307      0.783685
  C      -7.613463      6.313663      1.696632
  C      -8.950301      6.534043      2.078472
  N      -9.991663      5.831026      1.663751
  C      -9.718515      4.805793      0.802174
  C     -10.783252      3.979851      0.369557
  C     -10.520472      2.940579     -0.493506
  C      -9.192377      2.729472     -0.924368
  N      -8.158724      3.463050     -0.537783
  C      -8.407561      4.494367      0.314279
  C      -6.873345      2.811690      7.223790
  C      -6.766725      4.355867      7.342485
  C      -7.856414      4.959576      6.494647
  O      -7.548740      4.410001      5.189456
  C      -8.443668      3.595472      4.589779
  C      -9.825050      3.758927      4.694679
  C     -10.663346      2.919239      3.954480
  N     -10.233873      2.008850      3.092530
  C      -8.882812      1.843832      2.973515
  C      -8.411679      0.980906      1.960544
  C      -7.042425      0.894340      1.769757
  C      -6.177207      1.493211      2.683956
  N      -6.550103      2.204302      3.781105
  C      -7.915559      2.532659      3.796471
  H      -5.278164     -1.656035      4.644324
  H      -5.883348     -0.488125      3.468297
  H      -3.438391     -2.328332      3.292453
  H      -4.811985     -2.259857      2.194482
  H      -2.660795     -1.361936      1.254065
  H      -2.606844     -0.129320      2.532831
  H      -5.462656      1.019306     -0.805730
  H      -4.834452      2.856206     -2.327411
  H      -0.708306      4.352452     -1.083787
  H       0.846110      3.859680      0.851464
  H       0.163816      2.104803      2.494555
  H      -2.866467      4.583425      2.743896
  H      -3.865346      5.631612      3.761126
  H      -5.915710      4.455161      2.847305
  H      -4.856555      3.422986      1.887043
  H      -4.071889      5.259072      0.523281
  H      -5.032750      6.439703      1.458722
  H      -6.836599      6.941102      2.128314
  H      -9.165763      7.345882      2.781906
  H     -11.785812      4.190055      0.743612
  H     -11.316480      2.280446     -0.839808
  H      -8.978357      1.917806     -1.627533
  H      -7.296512      2.397943      8.159632
  H      -7.568538      2.541360      6.418860
  H      -5.801514      4.675938      6.919556
  H      -6.801827      4.704182      8.387049
  H      -7.841928      6.057654      6.433455
  H      -8.848811      4.632546      6.836682
  H     -10.258665      4.549431      5.306192
  H     -11.749096      3.030277      4.043823
  H      -9.138193      0.470361      1.327794
  H      -6.617673      0.328030      0.941306
  H      -5.107452      1.329566      2.547292
98
Coordinates from ORCA-job orca E -6374.124743517366
  N      -4.161950      0.136637      4.541322
  Mo     -4.774163      2.011373      5.026202
  N      -5.545454      2.183975      6.861630
  C      -4.651002      2.163804      8.012532
  C      -3.406288      1.391761      7.646457
  N      -2.978515      1.815221      6.288827
  C      -2.108842      0.788555      5.669314
  C      -2.969793     -0.365529      5.216416
  C      -2.314955      3.140609      6.319281
  C      -2.384987      3.770561      4.947765
  N      -3.717648      3.587771      4.352844
  H      -2.355013     -0.994557      4.547909
  H      -3.246171     -1.020399      6.070919
  H      -1.614052      1.250820      4.803614
  H      -1.330812      0.466870      6.384876
  H      -2.155415      4.847940      5.060705
  H      -1.600664      3.361077      4.276793
  H      -2.868680      3.760936      7.036606
  H      -1.274102      3.039942      6.675906
  H      -5.144417      1.688628      8.881508
  H      -4.386342      3.192767      8.338547
  H      -3.637960      0.320044      7.592647
  H      -2.586701      1.539540      8.371986
  C      -4.894083     -0.970751      3.930757
  C      -4.092205     -1.717999      2.833908
  C      -3.254625     -0.826571      1.937912
  O      -4.129950     -0.005109      1.121481
  C      -3.661689      1.015406      0.369283
  C      -4.483784      1.416688     -0.678973
  C      -4.131972      2.512665     -1.480661
  N      -3.028977      3.236344     -1.329975
  C      -2.215973      2.881702     -0.296523
  C      -1.051017      3.655700     -0.066822
  C      -0.248085      3.379811      1.016927
  C      -0.617166      2.320204      1.873682
  N      -1.668596      1.540624      1.681342
  C      -2.472947      1.789448      0.609672
  C      -3.795387      4.573529      3.261815
  C      -4.929331      4.375815      2.285674
  C      -4.975171      5.368397      1.133057
  O      -6.100212      5.009709      0.288104
  C      -7.330339      5.296155      0.761639
  C      -7.615210      6.289017      1.690073
  C      -8.949237      6.511376      2.080493
  N      -9.996274      5.822495      1.656240
  C      -9.732434      4.812806      0.773997
  C     -10.804976      4.007442      0.322441
  C     -10.551982      2.980508     -0.557807
  C      -9.223483      2.762118     -0.987661
  N      -8.184302      3.482169     -0.591067
  C      -8.423771      4.499545      0.279575
  C      -6.809098      2.809150      7.190907
  C      -6.697311      4.358006      7.286830
  C      -7.777112      4.981391      6.426391
  O      -7.514857      4.448236      5.101728
  C      -8.438961      3.626384      4.547604
  C      -9.814824      3.786064      4.721648
  C     -10.687202      2.937527      4.032229
  N     -10.300710      2.022935      3.154202
  C      -8.957291      1.869199      2.956530
  C      -8.534495      1.017324      1.912522
  C      -7.179682      0.968945      1.627272
  C      -6.270895      1.589145      2.477994
  N      -6.590586      2.259510      3.619928
  C      -7.955179      2.567838      3.726310
  H      -5.183640     -1.713578      4.702793
  H      -5.825804     -0.587371      3.510539
  H      -3.372222     -2.402716      3.311292
  H      -4.768576     -2.356006      2.243490
  H      -2.631746     -1.427356      1.254496
  H      -2.596553     -0.182228      2.527186
  H      -5.423422      0.894350     -0.853104
  H      -4.809172      2.813428     -2.285147
  H      -0.838387      4.472135     -0.758974
  H       0.641660      3.972986      1.231974
  H      -0.023729      2.115578      2.771568
  H      -2.841205      4.551901      2.691216
  H      -3.850651      5.587604      3.712224
  H      -5.890221      4.384893      2.814294
  H      -4.824125      3.386396      1.824543
  H      -4.094120      5.275264      0.486196
  H      -5.057091      6.416998      1.460983
  H      -6.832923      6.907775      2.126413
  H      -9.156740      7.314082      2.796435
  H     -11.805604      4.220443      0.700376
  H     -11.355271      2.332596     -0.912737
  H      -9.012266      1.951192     -1.692906
  H      -7.218871      2.403583      8.136031
  H      -7.517104      2.532143      6.399652
  H      -5.723835      4.660554      6.869405
  H      -6.738644      4.719210      8.325961
  H      -7.740660      6.078482      6.371246
  H      -8.774263      4.675321      6.771374
  H     -10.219909      4.581847      5.345432
  H     -11.766933      3.043934      4.181329
  H      -9.286605      0.495279      1.322326
  H      -6.797641      0.420939      0.767463
  H      -5.209709      1.473191      2.264816
98
Coordinates from ORCA-job orca E -6374.127425557093
  N      -4.161321      0.156445      4.495235
  Mo     -4.759464      2.030447      5.023605
  N      -5.507205      2.187570      6.872239
  C      -4.603112      2.149889      8.014502
  C      -3.369963      1.364702      7.632181
  N      -2.951136      1.794209      6.274217
  C      -2.094463      0.768467      5.634596
  C      -2.969904     -0.369995      5.161073
  C      -2.274352      3.113750      6.313150
  C      -2.345772      3.750383      4.942877
  N      -3.683646      3.588048      4.352704
  H      -2.361896     -0.990437      4.478960
  H      -3.249485     -1.041641      6.001384
  H      -1.600690      1.238296      4.771876
  H      -1.315178      0.427566      6.339856
  H      -2.100158      4.823856      5.053488
  H      -1.571152      3.331296      4.268055
  H      -2.814397      3.737253      7.038410
  H      -1.231953      3.000241      6.662038
  H      -5.093907      1.673479      8.884227
  H      -4.324461      3.173458      8.346488
  H      -3.615810      0.296777      7.572916
  H      -2.542463      1.496742      8.352268
  C      -4.896476     -0.935224      3.844350
  C      -4.106874     -1.695542      2.737944
  C      -3.217922     -0.834852      1.862608
  O      -4.049888      0.025068      1.036461
  C      -3.572042      1.081589      0.340628
  C      -4.370166      1.518842     -0.711781
  C      -4.022815      2.661022     -1.448767
  N      -2.942093      3.398204     -1.230706
  C      -2.152358      3.008632     -0.193082
  C      -1.020201      3.804250      0.116805
  C      -0.246386      3.500059      1.213142
  C      -0.609596      2.387288      2.004638
  N      -1.633409      1.594014      1.738647
  C      -2.409515      1.869750      0.652153
  C      -3.791647      4.557973      3.256297
  C      -4.968681      4.332090      2.334004
  C      -5.007557      5.282371      1.144410
  O      -6.147369      4.949465      0.314152
  C      -7.382605      5.279874      0.741530
  C      -7.698699      6.312513      1.615336
  C      -9.049343      6.560795      1.931393
  N     -10.082160      5.859656      1.488804
  C      -9.787116      4.814072      0.659057
  C     -10.838838      3.987127      0.194966
  C     -10.547256      2.920196     -0.625479
  C      -9.199769      2.686620     -0.985153
  N      -8.183051      3.427633     -0.577044
  C      -8.460404      4.478479      0.238023
  C      -6.757330      2.839831      7.210473
  C      -6.603117      4.387182      7.263433
  C      -7.638080      5.018403      6.346551
  O      -7.408362      4.406700      5.045816
  C      -8.399309      3.619104      4.553256
  C      -9.752868      3.904300      4.746149
  C     -10.710130      3.097385      4.123476
  N     -10.422064      2.110263      3.287142
  C      -9.101410      1.830839      3.072286
  C      -8.780282      0.891110      2.069036
  C      -7.439656      0.707704      1.762829
  C      -6.463377      1.291094      2.556247
  N      -6.697210      2.034799      3.675276
  C      -8.027467      2.479297      3.789560
  H      -5.203850     -1.688406      4.599678
  H      -5.820235     -0.528590      3.418185
  H      -3.419961     -2.413278      3.215273
  H      -4.801496     -2.299089      2.132876
  H      -2.596418     -1.448278      1.189063
  H      -2.557008     -0.216977      2.477288
  H      -5.288345      0.982652     -0.942891
  H      -4.681382      2.986476     -2.259333
  H      -0.808897      4.658236     -0.529027
  H       0.623502      4.101302      1.480903
  H      -0.025743      2.140106      2.900930
  H      -2.857350      4.514430      2.655103
  H      -3.828562      5.585707      3.677688
  H      -5.910135      4.393211      2.890281
  H      -4.914430      3.315332      1.923090
  H      -4.149023      5.131758      0.480302
  H      -5.033707      6.344008      1.436303
  H      -6.932423      6.944027      2.060206
  H      -9.282892      7.393796      2.603558
  H     -11.855024      4.213894      0.520327
  H     -11.333977      2.253374     -0.984071
  H      -8.950448      1.843350     -1.637980
  H      -7.171281      2.453270      8.162372
  H      -7.475156      2.572509      6.426633
  H      -5.613999      4.633542      6.847848
  H      -6.647065      4.792549      8.286086
  H      -7.545041      6.108457      6.238461
  H      -8.656084      4.782211      6.686511
  H     -10.073077      4.762081      5.334982
  H     -11.773213      3.304784      4.286442
  H      -9.586289      0.412083      1.517764
  H      -7.125380      0.084356      0.929265
  H      -5.420115      1.088428      2.338148
98
Coordinates from ORCA-job orca E -6374.130569279762
  N      -4.185839      0.150295      4.499562
  Mo     -4.820241      2.008137      5.037017
  N      -5.558308      2.133455      6.894739
  C      -4.654042      2.073293      8.036337
  C      -3.411991      1.313979      7.634452
  N      -3.001390      1.784488      6.286558
  C      -2.126896      0.788205      5.624758
  C      -2.981897     -0.362453      5.147162
  C      -2.351427      3.118608      6.347889
  C      -2.430711      3.770787      4.983522
  N      -3.761046      3.588863      4.384050
  H      -2.370559     -0.966732      4.453245
  H      -3.242159     -1.046250      5.984174
  H      -1.655888      1.278977      4.762957
  H      -1.331360      0.455725      6.316513
  H      -2.204683      4.848471      5.101545
  H      -1.645017      3.372633      4.309731
  H      -2.903932      3.720456      7.081551
  H      -1.307215      3.021114      6.697243
  H      -5.140950      1.571263      8.894203
  H      -4.386080      3.090514      8.393655
  H      -3.643558      0.244562      7.550002
  H      -2.586641      1.439381      8.357807
  C      -4.915197     -0.945287      3.859177
  C      -4.138416     -1.690699      2.734916
  C      -3.267385     -0.825211      1.842278
  O      -4.114422      0.049306      1.048612
  C      -3.643567      1.111556      0.357026
  C      -4.478276      1.572328     -0.655571
  C      -4.158455      2.733011     -1.375385
  N      -3.067811      3.464608     -1.181441
  C      -2.234455      3.045268     -0.191480
  C      -1.070359      3.814291      0.069582
  C      -0.235930      3.465032      1.104203
  C      -0.571710      2.338220      1.887058
  N      -1.627677      1.573317      1.667928
  C      -2.461446      1.887580      0.637663
  C      -3.860467      4.552921      3.279965
  C      -5.010700      4.301440      2.328711
  C      -5.034277      5.219296      1.116984
  O      -6.157079      4.845907      0.279445
  C      -7.397212      5.191808      0.679632
  C      -7.709039      6.256039      1.513836
  C      -9.058602      6.528582      1.812531
  N     -10.094666      5.821711      1.388655
  C      -9.805441      4.747705      0.595490
  C     -10.866498      3.927403      0.142485
  C     -10.585420      2.836686     -0.648757
  C      -9.238824      2.569319     -0.985288
  N      -8.211901      3.301908     -0.586175
  C      -8.478828      4.381846      0.196052
  C      -6.797427      2.793444      7.256835
  C      -6.598636      4.328867      7.377753
  C      -7.581623      5.032069      6.473230
  O      -7.311601      4.472071      5.161389
  C      -8.276385      3.686429      4.612538
  C      -9.636127      3.991297      4.714307
  C     -10.560851      3.211770      4.014286
  N     -10.229819      2.236226      3.180446
  C      -8.901682      1.941034      3.051876
  C      -8.523377      1.038255      2.035881
  C      -7.167358      0.863369      1.803566
  C      -6.239716      1.404654      2.681826
  N      -6.540163      2.090099      3.823497
  C      -7.870095      2.553247      3.859630
  H      -5.199683     -1.704540      4.617449
  H      -5.849334     -0.548151      3.450848
  H      -3.442096     -2.414210      3.191108
  H      -4.847974     -2.287508      2.140617
  H      -2.672063     -1.438535      1.146001
  H      -2.587298     -0.213566      2.438646
  H      -5.407834      1.042667     -0.863468
  H      -4.847213      3.079841     -2.151847
  H      -0.880971      4.680105     -0.566978
  H       0.660616      4.043013      1.332758
  H       0.058145      2.057474      2.736477
  H      -2.912537      4.508532      2.704225
  H      -3.913920      5.585298      3.686846
  H      -5.966311      4.364598      2.866184
  H      -4.935373      3.278280      1.940291
  H      -4.156261      5.064930      0.473727
  H      -5.081812      6.287555      1.379887
  H      -6.938595      6.895381      1.941634
  H      -9.287955      7.384927      2.455906
  H     -11.882289      4.182452      0.448267
  H     -11.378671      2.178642     -1.006052
  H      -9.003301      1.701087     -1.609640
  H      -7.217100      2.380269      8.193921
  H      -7.525344      2.568418      6.466153
  H      -5.591506      4.560830      6.995407
  H      -6.657821      4.694870      8.414133
  H      -7.442685      6.120931      6.419170
  H      -8.616810      4.817370      6.769695
  H      -9.983254      4.853151      5.282697
  H     -11.629104      3.433543      4.108385
  H      -9.296704      0.588419      1.415062
  H      -6.803230      0.278722      0.960623
  H      -5.184252      1.210798      2.521477
98
Coordinates from ORCA-job orca E -6374.132719971544
  N      -4.151017      0.165834      4.530044
  Mo     -4.816722      2.022915      5.036417
  N      -5.588074      2.132037      6.880900
  C      -4.698901      2.095934      8.035452
  C      -3.433464      1.363297      7.657067
  N      -3.011822      1.835890      6.315269
  C      -2.111287      0.854429      5.668712
  C      -2.942182     -0.314452      5.193980
  C      -2.395946      3.182446      6.386159
  C      -2.462697      3.836126      5.024657
  N      -3.773389      3.623782      4.397792
  H      -2.314623     -0.919088      4.514849
  H      -3.199347     -0.991170      6.037595
  H      -1.639856      1.347824      4.808369
  H      -1.318164      0.539266      6.370809
  H      -2.266680      4.918294      5.154792
  H      -1.654004      3.463022      4.364285
  H      -2.980181      3.771245      7.105887
  H      -1.357472      3.112523      6.757869
  H      -5.187826      1.584675      8.886577
  H      -4.461123      3.120033      8.394346
  H      -3.640871      0.288761      7.573804
  H      -2.622408      1.509678      8.392116
  C      -4.855415     -0.963106      3.925894
  C      -4.068412     -1.733738      2.832315
  C      -3.209501     -0.895541      1.905606
  O      -4.069371     -0.090723      1.054778
  C      -3.625346      0.947261      0.313392
  C      -4.467647      1.336822     -0.722661
  C      -4.163312      2.455724     -1.511616
  N      -3.080067      3.208718     -1.364123
  C      -2.239485      2.859412     -0.351281
  C      -1.092096      3.663508     -0.132445
  C      -0.252469      3.388274      0.921399
  C      -0.564192      2.295233      1.759190
  N      -1.608082      1.502069      1.586509
  C      -2.451049      1.750680      0.545606
  C      -3.865444      4.612764      3.314801
  C      -4.997367      4.408165      2.336275
  C      -4.997558      5.397563      1.185062
  O      -6.107232      5.069515      0.315742
  C      -7.342807      5.357016      0.763938
  C      -7.646238      6.348081      1.686363
  C      -8.989857      6.570028      2.044019
  N     -10.025367      5.873797      1.603428
  C      -9.742909      4.866043      0.724531
  C     -10.799111      4.042161      0.267763
  C     -10.523365      3.012592     -0.602534
  C      -9.188990      2.816222     -1.024934
  N      -8.164505      3.553996     -0.623839
  C      -8.425555      4.565318      0.247804
  C      -6.840656      2.777454      7.228612
  C      -6.686881      4.320424      7.340581
  C      -7.669272      4.989079      6.404746
  O      -7.395043      4.412162      5.099466
  C      -8.343899      3.599241      4.558530
  C      -9.713942      3.841631      4.697568
  C     -10.620026      3.022057      4.018022
  N     -10.267167      2.067919      3.169115
  C      -8.930923      1.838360      2.998028
  C      -8.543841      0.957069      1.967454
  C      -7.187884      0.843153      1.694614
  C      -6.259198      1.432221      2.540306
  N      -6.554259      2.106992      3.693447
  C      -7.905798      2.496135      3.779486
  H      -5.120512     -1.701333      4.711238
  H      -5.801124     -0.606162      3.508807
  H      -3.366604     -2.435366      3.314151
  H      -4.772577     -2.358333      2.260614
  H      -2.601379     -1.536106      1.246070
  H      -2.543051     -0.236316      2.467340
  H      -5.386235      0.777927     -0.901083
  H      -4.858617      2.747743     -2.303853
  H      -0.919162      4.496629     -0.815786
  H       0.634667      3.992295      1.116820
  H       0.080353      2.064581      2.611662
  H      -2.909314      4.598887      2.749397
  H      -3.932474      5.628726      3.759617
  H      -5.961596      4.450273      2.859469
  H      -4.913954      3.409973      1.892367
  H      -4.110260      5.281641      0.548854
  H      -5.052452      6.447759      1.514845
  H      -6.872010      6.966213      2.138748
  H      -9.214524      7.372453      2.755076
  H     -11.805665      4.240989      0.638473
  H     -11.311167      2.345620     -0.956319
  H      -8.960091      2.004698     -1.723776
  H      -7.248765      2.362109      8.169659
  H      -7.563491      2.530001      6.439618
  H      -5.675243      4.578064      6.987338
  H      -6.785593      4.693066      8.371048
  H      -7.550079      6.079304      6.331356
  H      -8.702305      4.765935      6.701298
  H     -10.085374      4.674507      5.292742
  H     -11.694748      3.191041      4.143029
  H      -9.316182      0.484534      1.362620
  H      -6.821902      0.277619      0.837856
  H      -5.200267      1.298065      2.335476
98
Coordinates from ORCA-job orca E -6374.134030156729
  N      -4.176269      0.152667      4.457833
  Mo     -4.807163      2.012179      4.994906
  N      -5.527884      2.131635      6.859703
  C      -4.611052      2.063589      7.991851
  C      -3.367210      1.311256      7.576131
  N      -2.969542      1.790798      6.229986
  C      -2.099320      0.805383      5.548869
  C      -2.956962     -0.350302      5.084305
  C      -2.336397      3.130327      6.296243
  C      -2.425568      3.791874      4.938438
  N      -3.752037      3.595771      4.337860
  H      -2.356118     -0.954914      4.381241
  H      -3.200240     -1.034055      5.926560
  H      -1.649315      1.301993      4.678597
  H      -1.288263      0.474814      6.222967
  H      -2.213299      4.871356      5.064739
  H      -1.634000      3.411326      4.259325
  H      -2.895512      3.721453      7.033541
  H      -1.290395      3.046703      6.643982
  H      -5.089916      1.551983      8.848542
  H      -4.346076      3.078601      8.356829
  H      -3.596114      0.241636      7.488006
  H      -2.537165      1.435021      8.294298
  C      -4.913222     -0.953491      3.848862
  C      -4.144481     -1.726767      2.742989
  C      -3.256116     -0.889529      1.843306
  O      -4.085920     -0.045517      0.998428
  C      -3.614076      1.045113      0.355834
  C      -4.387505      1.487782     -0.711772
  C      -4.062060      2.672230     -1.389566
  N      -3.020639      3.443434     -1.100880
  C      -2.247047      3.039692     -0.056290
  C      -1.146464      3.855745      0.312529
  C      -0.379344      3.520911      1.403872
  C      -0.715781      2.357066      2.130211
  N      -1.717917      1.553406      1.816534
  C      -2.487300      1.858623      0.734182
  C      -3.864137      4.565330      3.241615
  C      -5.015317      4.324204      2.290164
  C      -5.037841      5.277804      1.107565
  O      -6.153215      4.926098      0.253809
  C      -7.397120      5.212831      0.685454
  C      -7.730012      6.223806      1.576237
  C      -9.083837      6.439580      1.901202
  N     -10.102922      5.723304      1.452990
  C      -9.791029      4.699752      0.602964
  C     -10.830204      3.866934      0.122514
  C     -10.524000      2.826310     -0.725299
  C      -9.173257      2.621518     -1.091144
  N      -8.166396      3.369116     -0.668968
  C      -8.459449      4.397785      0.169953
  C      -6.746911      2.827711      7.238140
  C      -6.519790      4.363388      7.330238
  C      -7.461074      5.083094      6.386192
  O      -7.250449      4.484958      5.077739
  C      -8.257603      3.702515      4.593968
  C      -9.607158      4.017412      4.780091
  C     -10.581196      3.223591      4.167069
  N     -10.313645      2.225459      3.337896
  C      -8.998679      1.928966      3.112014
  C      -8.699061      1.003323      2.091296
  C      -7.364828      0.833022      1.749468
  C      -6.372521      1.406316      2.527937
  N      -6.584555      2.109699      3.683952
  C      -7.911008      2.562969      3.824965
  H      -5.187070     -1.694015      4.629476
  H      -5.853294     -0.571348      3.439243
  H      -3.465988     -2.458306      3.213436
  H      -4.863295     -2.317443      2.153358
  H      -2.647900     -1.525355      1.179584
  H      -2.588650     -0.255031      2.431810
  H      -5.269881      0.918228     -1.002212
  H      -4.704213      3.005795     -2.209812
  H      -0.951304      4.745145     -0.288958
  H       0.469364      4.132603      1.712981
  H      -0.128820      2.075509      3.011193
  H      -2.917151      4.544634      2.660275
  H      -3.931033      5.589630      3.666490
  H      -5.970064      4.384764      2.827974
  H      -4.941670      3.308508      1.881013
  H      -4.159773      5.149020      0.461958
  H      -5.089142      6.336733      1.407597
  H      -6.972888      6.863070      2.027116
  H      -9.331666      7.256204      2.588013
  H     -11.849563      4.072349      0.452430
  H     -11.300741      2.159852     -1.105406
  H      -8.914825      1.795196     -1.761634
  H      -7.143465      2.430731      8.191732
  H      -7.504025      2.607777      6.472867
  H      -5.493538      4.560064      6.979845
  H      -6.605537      4.756232      8.354562
  H      -7.263170      6.160887      6.302059
  H      -8.505205      4.937814      6.692042
  H      -9.912223      4.887446      5.358899
  H     -11.639652      3.448374      4.335709
  H      -9.517481      0.540064      1.544844
  H      -7.065441      0.233251      0.890673
  H      -5.331081      1.227118      2.281300
98
Coordinates from ORCA-job orca E -6374.134679859007
  N      -4.150235      0.185183      4.496500
  Mo     -4.817321      2.019357      5.071041
  N      -5.565041      2.078255      6.928680
  C      -4.661229      1.989817      8.071011
  C      -3.394736      1.276386      7.650059
  N      -2.988206      1.801440      6.322906
  C      -2.093483      0.852953      5.621350
  C      -2.924065     -0.308954      5.119686
  C      -2.388439      3.154752      6.426178
  C      -2.469679      3.841430      5.076695
  N      -3.780356      3.624646      4.449224
  H      -2.306800     -0.884663      4.407379
  H      -3.159919     -1.018400      5.942865
  H      -1.653960      1.380833      4.764668
  H      -1.276698      0.523203      6.289147
  H      -2.283761      4.923049      5.224360
  H      -1.657116      3.490922      4.406139
  H      -2.975011      3.719564      7.163063
  H      -1.346904      3.089491      6.791527
  H      -5.141445      1.441779      8.904167
  H      -4.421813      2.997374      8.472062
  H      -3.600466      0.205598      7.529117
  H      -2.577947      1.395746      8.384218
  C      -4.876855     -0.921334      3.875230
  C      -4.112359     -1.684831      2.757544
  C      -3.232801     -0.852008      1.844394
  O      -4.072317     -0.011995      1.003839
  C      -3.624627      1.064118      0.323104
  C      -4.467699      1.511037     -0.689162
  C      -4.172117      2.678542     -1.407420
  N      -3.093490      3.427689     -1.214944
  C      -2.246248      3.015393     -0.233283
  C      -1.089225      3.797665      0.017414
  C      -0.227243      3.445201      1.029149
  C      -0.527579      2.299042      1.798530
  N      -1.585005      1.530986      1.597142
  C      -2.448913      1.852113      0.593650
  C      -3.909565      4.580114      3.347073
  C      -5.056895      4.293622      2.398026
  C      -5.080184      5.231428      1.202068
  O      -6.182550      4.876936      0.332712
  C      -7.437946      5.186467      0.711276
  C      -7.797669      6.213967      1.572501
  C      -9.163245      6.453299      1.827329
  N     -10.169997      5.745549      1.339905
  C      -9.833091      4.706021      0.519733
  C     -10.859438      3.881797     -0.001067
  C     -10.527328      2.829040     -0.823807
  C      -9.163686      2.604805     -1.125483
  N      -8.168571      3.342347     -0.661798
  C      -8.487123      4.380904      0.154956
  C      -6.792103      2.763300      7.307205
  C      -6.553324      4.293526      7.428090
  C      -7.433118      5.044104      6.450579
  O      -7.185759      4.458710      5.142837
  C      -8.200972      3.722392      4.602403
  C      -9.538716      4.110252      4.718299
  C     -10.519948      3.379795      4.041799
  N     -10.262543      2.376032      3.215782
  C      -8.955850      2.004949      3.061492
  C      -8.652297      1.067291      2.052645
  C      -7.311982      0.814721      1.791263
  C      -6.335401      1.321201      2.631586
  N      -6.573399      2.035797      3.777385
  C      -7.876104      2.572136      3.841761
  H      -5.141394     -1.673936      4.648417
  H      -5.823056     -0.540875      3.473693
  H      -3.432044     -2.422194      3.215631
  H      -4.841501     -2.269257      2.173902
  H      -2.640181     -1.495895      1.174247
  H      -2.553408     -0.215105      2.415845
  H      -5.381773      0.957515     -0.901020
  H      -4.871361      3.017810     -2.177106
  H      -0.925214      4.674009     -0.611958
  H       0.668222      4.029757      1.244816
  H       0.136274      2.002434      2.618181
  H      -2.960281      4.571613      2.769976
  H      -4.000815      5.610421      3.753024
  H      -6.013295      4.351380      2.934633
  H      -4.968746      3.267782      2.010950
  H      -4.194988      5.101754      0.566054
  H      -5.137039      6.292726      1.492289
  H      -7.053032      6.848093      2.049950
  H      -9.432449      7.283242      2.489915
  H     -11.890510      4.104305      0.277617
  H     -11.293033      2.169211     -1.235127
  H      -8.884061      1.771627     -1.778830
  H      -7.198645      2.348280      8.248900
  H      -7.543003      2.560147      6.532048
  H      -5.507612      4.478153      7.132672
  H      -6.685199      4.678966      8.450712
  H      -7.195287      6.115595      6.389269
  H      -8.494218      4.933009      6.709431
  H      -9.825585      4.989612      5.292211
  H     -11.571711      3.663661      4.153268
  H      -9.463884      0.657266      1.454679
  H      -6.998027      0.197227      0.950860
  H      -5.294523      1.071874      2.460542
98
Coordinates from ORCA-job orca E -6374.135851586211
  N      -4.156090      0.179680      4.500963
  Mo     -4.842051      2.022338      5.033503
  N      -5.600504      2.080552      6.889567
  C      -4.704852      2.000697      8.038319
  C      -3.427418      1.304553      7.630056
  N      -3.017027      1.828387      6.305852
  C      -2.108488      0.885750      5.618726
  C      -2.925046     -0.289385      5.132413
  C      -2.435204      3.186584      6.407090
  C      -2.508135      3.866350      5.056380
  N      -3.805071      3.631096      4.411422
  H      -2.300302     -0.871279      4.431858
  H      -3.156150     -0.987298      5.966616
  H      -1.670587      1.409049      4.758559
  H      -1.291355      0.570297      6.292841
  H      -2.340668      4.950918      5.205671
  H      -1.682265      3.528052      4.396722
  H      -3.037425      3.747728      7.134240
  H      -1.397150      3.137633      6.784312
  H      -5.185772      1.446261      8.866842
  H      -4.482228      3.010950      8.442195
  H      -3.617868      0.230559      7.511090
  H      -2.618745      1.436846      8.370744
  C      -4.868021     -0.956212      3.920184
  C      -4.103659     -1.735546      2.816325
  C      -3.234897     -0.917198      1.880620
  O      -4.085295     -0.112062      1.018163
  C      -3.658931      0.968123      0.329750
  C      -4.516464      1.391538     -0.680431
  C      -4.242462      2.553128     -1.416016
  N      -3.172147      3.318461     -1.241910
  C      -2.311806      2.932189     -0.260126
  C      -1.171834      3.741531     -0.022211
  C      -0.301255      3.420387      0.992799
  C      -0.574173      2.275176      1.772575
  N      -1.615404      1.481792      1.584832
  C      -2.490803      1.776214      0.583054
  C      -3.913534      4.603691      3.317482
  C      -5.037916      4.362193      2.333123
  C      -5.034869      5.345466      1.175133
  O      -6.127515      5.016855      0.283251
  C      -7.379647      5.273683      0.707475
  C      -7.726143      6.243760      1.637627
  C      -9.083657      6.438134      1.959047
  N     -10.094193      5.734811      1.474660
  C      -9.769701      4.747252      0.587895
  C     -10.798243      3.915321      0.084893
  C     -10.479741      2.907239     -0.796002
  C      -9.131076      2.742145     -1.184464
  N      -8.131546      3.487777     -0.738968
  C      -8.434335      4.475594      0.145759
  C      -6.825651      2.762081      7.277952
  C      -6.604207      4.292476      7.433490
  C      -7.477496      5.043565      6.455229
  O      -7.220027      4.454840      5.152969
  C      -8.207718      3.681851      4.612157
  C      -9.561675      4.010643      4.731331
  C     -10.509824      3.234343      4.059422
  N     -10.207974      2.249323      3.226834
  C      -8.885761      1.944729      3.060336
  C      -8.545371      1.044931      2.030312
  C      -7.194944      0.871870      1.751886
  C      -6.237053      1.410961      2.594173
  N      -6.497634      2.086979      3.762091
  C      -7.829744      2.552578      3.843693
  H      -5.109620     -1.689887      4.718459
  H      -5.825539     -0.608966      3.521104
  H      -3.418771     -2.462695      3.283731
  H      -4.833174     -2.333287      2.246729
  H      -2.638740     -1.576235      1.228391
  H      -2.559614     -0.255493      2.427767
  H      -5.423292      0.820815     -0.878899
  H      -4.953658      2.873750     -2.182483
  H      -1.028512      4.613999     -0.661973
  H       0.582193      4.025870      1.200033
  H       0.104033      1.997639      2.585403
  H      -2.953258      4.606204      2.758523
  H      -4.008352      5.624034      3.747613
  H      -6.004121      4.409284      2.849221
  H      -4.946216      3.356281      1.903554
  H      -4.138092      5.235170      0.551983
  H      -5.097585      6.395792      1.503515
  H      -6.974625      6.864961      2.122206
  H      -9.342528      7.225452      2.675458
  H     -11.818335      4.090921      0.429265
  H     -11.243807      2.233241     -1.184772
  H      -8.869191      1.949332     -1.893291
  H      -7.222237      2.331705      8.216886
  H      -7.579976      2.563710      6.505137
  H      -5.555079      4.499429      7.166725
  H      -6.763227      4.655344      8.460238
  H      -7.242909      6.115543      6.392695
  H      -8.538069      4.930945      6.713202
  H      -9.887406      4.874143      5.308664
  H     -11.573477      3.468171      4.174037
  H      -9.341874      0.614726      1.423839
  H      -6.855855      0.295313      0.891347
  H      -5.185630      1.227946      2.396790
98
Coordinates from ORCA-job orca E -6374.137287598704
  N      -4.143307      0.191042      4.477049
  Mo     -4.820391      2.026253      5.030992
  N      -5.563519      2.078516      6.891633
  C      -4.655830      1.975585      8.030901
  C      -3.382716      1.281945      7.600588
  N      -2.982819      1.823153      6.280400
  C      -2.081875      0.890571      5.568171
  C      -2.902488     -0.283036      5.082314
  C      -2.405132      3.182210      6.393429
  C      -2.488742      3.876963      5.050861
  N      -3.788254      3.640946      4.413466
  H      -2.288981     -0.857518      4.365644
  H      -3.118844     -0.989003      5.913659
  H      -1.661595      1.424889      4.706281
  H      -1.251902      0.571126      6.224543
  H      -2.324340      4.960749      5.210448
  H      -1.665087      3.549689      4.382268
  H      -3.005918      3.731999      7.130159
  H      -1.364858      3.133506      6.764879
  H      -5.130254      1.407819      8.854163
  H      -4.426419      2.977573      8.450808
  H      -3.576479      0.210092      7.469097
  H      -2.567865      1.401731      8.336678
  C      -4.877268     -0.936023      3.907649
  C      -4.139232     -1.719130      2.789483
  C      -3.271704     -0.902761      1.851251
  O      -4.121284     -0.075858      1.007812
  C      -3.682677      1.023026      0.358136
  C      -4.527921      1.485400     -0.645175
  C      -4.243920      2.674472     -1.331691
  N      -3.174415      3.431518     -1.115407
  C      -2.323079      3.002854     -0.143766
  C      -1.177615      3.793163      0.132077
  C      -0.312765      3.422800      1.134963
  C      -0.599524      2.251392      1.869873
  N      -1.647412      1.476374      1.646410
  C      -2.513632      1.815070      0.650994
  C      -3.905267      4.610021      3.319688
  C      -5.025002      4.339195      2.338481
  C      -5.037727      5.296786      1.160096
  O      -6.120503      4.927955      0.274206
  C      -7.379265      5.158999      0.690860
  C      -7.751545      6.104801      1.634990
  C      -9.116507      6.272381      1.941313
  N     -10.110561      5.568837      1.423313
  C      -9.760073      4.605969      0.519638
  C     -10.771863      3.786426     -0.036015
  C     -10.426026      2.805581     -0.937902
  C      -9.064367      2.646310     -1.282566
  N      -8.081202      3.383768     -0.790661
  C      -8.413060      4.354710      0.102222
  C      -6.776510      2.777667      7.294269
  C      -6.529182      4.304780      7.433484
  C      -7.383393      5.077594      6.453061
  O      -7.175654      4.477782      5.147376
  C      -8.203608      3.735145      4.635491
  C      -9.542672      4.108153      4.787772
  C     -10.533877      3.364373      4.140781
  N     -10.288334      2.367874      3.303157
  C      -8.981520      2.023609      3.098439
  C      -8.696537      1.114046      2.059980
  C      -7.361919      0.904684      1.737551
  C      -6.362979      1.424901      2.543954
  N      -6.571044      2.110505      3.714772
  C      -7.885769      2.601973      3.847263
  H      -5.113884     -1.668120      4.708902
  H      -5.836493     -0.578447      3.524711
  H      -3.459357     -2.460456      3.241615
  H      -4.885023     -2.300397      2.223772
  H      -2.691911     -1.561948      1.184876
  H      -2.582434     -0.254381      2.396076
  H      -5.434896      0.925896     -0.873976
  H      -4.946339      3.026574     -2.092372
  H      -1.023770      4.688872     -0.472002
  H       0.575763      4.011323      1.367860
  H       0.069970      1.936586      2.676886
  H      -2.944160      4.627868      2.762719
  H      -4.019801      5.629318      3.746966
  H      -5.990791      4.392394      2.855675
  H      -4.926687      3.322274      1.940191
  H      -4.138743      5.198379      0.537617
  H      -5.125643      6.351582      1.469103
  H      -7.015150      6.725823      2.143054
  H      -9.396407      7.037606      2.673457
  H     -11.802483      3.953774      0.280296
  H     -11.178707      2.152444     -1.381519
  H      -8.776970      1.864736     -1.994032
  H      -7.158099      2.356538      8.243217
  H      -7.550167      2.584337      6.537738
  H      -5.473318      4.486011      7.174679
  H      -6.690811      4.682525      8.454692
  H      -7.101998      6.137869      6.382555
  H      -8.444017      5.012895      6.725528
  H      -9.825298      4.987211      5.364753
  H     -11.585338      3.634468      4.283485
  H      -9.523118      0.698923      1.485667
  H      -7.066693      0.320495      0.865414
  H      -5.322483      1.225195      2.309819
98
Coordinates from ORCA-job orca E -6374.138624068129
  N      -4.159635      0.205809      4.452191
  Mo     -4.806430      2.047075      5.022555
  N      -5.537083      2.089473      6.889517
  C      -4.619931      1.967660      8.019942
  C      -3.351990      1.273803      7.573106
  N      -2.958231      1.819618      6.253153
  C      -2.076753      0.883108      5.522561
  C      -2.913755     -0.281448      5.039713
  C      -2.370215      3.174400      6.363541
  C      -2.459473      3.875955      5.022365
  N      -3.764805      3.647467      4.394144
  H      -2.312984     -0.856251      4.312630
  H      -3.126383     -0.991716      5.868560
  H      -1.666395      1.419519      4.657002
  H      -1.238483      0.552963      6.162958
  H      -2.289957      4.958292      5.186519
  H      -1.641821      3.548217      4.345889
  H      -2.963368      3.727540      7.104283
  H      -1.327840      3.118685      6.728216
  H      -5.090572      1.390896      8.839132
  H      -4.383933      2.963100      8.451446
  H      -3.550561      0.203527      7.437157
  H      -2.531555      1.385537      8.304338
  C      -4.917560     -0.914326      3.901582
  C      -4.195404     -1.718261      2.787389
  C      -3.308204     -0.924884      1.848475
  O      -4.130105     -0.101600      0.975038
  C      -3.685125      1.010771      0.355172
  C      -4.500274      1.475025     -0.672807
  C      -4.203060      2.670410     -1.341858
  N      -3.149623      3.435991     -1.082274
  C      -2.331813      3.010507     -0.080737
  C      -1.212208      3.816378      0.249141
  C      -0.381564      3.450781      1.283009
  C      -0.674632      2.264539      1.990474
  N      -1.699354      1.474645      1.716833
  C      -2.535423      1.812264      0.694957
  C      -3.898272      4.609701      3.297934
  C      -5.039142      4.334144      2.340476
  C      -5.082824      5.310680      1.178299
  O      -6.164376      4.944648      0.288414
  C      -7.430653      5.147150      0.697320
  C      -7.833350      6.065217      1.657214
  C      -9.206469      6.206019      1.941698
  N     -10.180956      5.502180      1.389477
  C      -9.800071      4.561443      0.475255
  C     -10.787766      3.729296     -0.103694
  C     -10.410684      2.769140     -1.015022
  C      -9.043565      2.651048     -1.355451
  N      -8.082135      3.400733     -0.840094
  C      -8.443490      4.342056      0.072750
  C      -6.742112      2.792988      7.312439
  C      -6.483226      4.317909      7.450941
  C      -7.316743      5.096003      6.455099
  O      -7.112263      4.485663      5.154192
  C      -8.150689      3.761145      4.637712
  C      -9.482548      4.155550      4.792025
  C     -10.485804      3.427335      4.145136
  N     -10.256543      2.428142      3.306296
  C      -8.955477      2.062207      3.100669
  C      -8.685525      1.143937      2.065463
  C      -7.353426      0.897358      1.756791
  C      -6.347406      1.393766      2.568915
  N      -6.545088      2.103946      3.727673
  C      -7.850700      2.622781      3.850205
  H      -5.158492     -1.636958      4.710407
  H      -5.875883     -0.542782      3.523759
  H      -3.532172     -2.471555      3.244532
  H      -4.951774     -2.286468      2.222217
  H      -2.728743     -1.601443      1.199181
  H      -2.616258     -0.278181      2.391030
  H      -5.393432      0.908907     -0.936482
  H      -4.884195      3.022575     -2.121415
  H      -1.052125      4.722703     -0.337392
  H       0.483204      4.054747      1.561353
  H      -0.032796      1.952977      2.820497
  H      -2.948326      4.620207      2.721008
  H      -4.000986      5.633399      3.718501
  H      -5.994854      4.366207      2.878262
  H      -4.935256      3.323350      1.925654
  H      -4.188652      5.235502      0.546716
  H      -5.182353      6.357875      1.508576
  H      -7.114919      6.683765      2.192578
  H      -9.511055      6.952238      2.683644
  H     -11.824493      3.866739      0.206675
  H     -11.143008      2.099008     -1.467167
  H      -8.731403      1.896183     -2.084963
  H      -7.110067      2.371423      8.266697
  H      -7.530044      2.606484      6.570926
  H      -5.421593      4.492122      7.213261
  H      -6.661896      4.699342      8.468120
  H      -7.013583      6.149936      6.378074
  H      -8.380370      5.057581      6.721848
  H      -9.749347      5.035768      5.374296
  H     -11.532954      3.713702      4.287953
  H      -9.517776      0.747508      1.485454
  H      -7.066550      0.295889      0.894195
  H      -5.311325      1.155686      2.352033
98
Coordinates from ORCA-job orca E -6374.139421099861
  N      -4.153020      0.213866      4.454885
  Mo     -4.814426      2.049074      5.029360
  N      -5.540501      2.075145      6.900450
  C      -4.620970      1.941485      8.027891
  C      -3.347504      1.265262      7.572338
  N      -2.959330      1.827235      6.259022
  C      -2.072187      0.905221      5.518811
  C      -2.899724     -0.264506      5.033774
  C      -2.384514      3.185283      6.379369
  C      -2.477401      3.893763      5.042370
  N      -3.777541      3.655869      4.407661
  H      -2.296397     -0.830371      4.302078
  H      -3.102342     -0.980998      5.859771
  H      -1.672776      1.451095      4.654407
  H      -1.226612      0.579123      6.151740
  H      -2.320321      4.976812      5.214003
  H      -1.653569      3.579894      4.366599
  H      -2.983775      3.727966      7.122922
  H      -1.342101      3.138137      6.745513
  H      -5.086536      1.347571      8.837663
  H      -4.393428      2.931597      8.476149
  H      -3.535527      0.194557      7.425911
  H      -2.528660      1.376558      8.305728
  C      -4.913598     -0.914352      3.922071
  C      -4.210906     -1.727451      2.800254
  C      -3.327767     -0.950193      1.843342
  O      -4.151964     -0.127283      0.970352
  C      -3.719024      0.996711      0.361293
  C      -4.554021      1.469137     -0.646690
  C      -4.276885      2.674379     -1.306087
  N      -3.223607      3.443086     -1.056385
  C      -2.385079      3.010208     -0.075971
  C      -1.263830      3.819174      0.240670
  C      -0.409901      3.447086      1.252538
  C      -0.680964      2.250595      1.951356
  N      -1.706545      1.458015      1.689166
  C      -2.566773      1.801586      0.689611
  C      -3.914354      4.623647      3.314786
  C      -5.043922      4.344813      2.343934
  C      -5.087782      5.324848      1.183461
  O      -6.154797      4.949780      0.279475
  C      -7.426977      5.130364      0.680790
  C      -7.845510      6.024400      1.656318
  C      -9.221939      6.147985      1.932964
  N     -10.185950      5.449572      1.356380
  C      -9.789613      4.530180      0.427469
  C     -10.766262      3.701404     -0.174577
  C     -10.374499      2.759238     -1.098239
  C      -9.003342      2.654473     -1.426233
  N      -8.051848      3.402133     -0.889518
  C      -8.427797      4.327792      0.033402
  C      -6.738599      2.780495      7.342127
  C      -6.472604      4.302935      7.492690
  C      -7.270252      5.095482      6.478486
  O      -7.068114      4.475500      5.182723
  C      -8.114537      3.767042      4.658820
  C      -9.440444      4.186347      4.796952
  C     -10.448542      3.475574      4.138353
  N     -10.226241      2.477062      3.297233
  C      -8.928731      2.093110      3.100623
  C      -8.660172      1.189144      2.052841
  C      -7.327291      0.927986      1.756674
  C      -6.323968      1.394478      2.588006
  N      -6.524431      2.090711      3.756660
  C      -7.824863      2.627625      3.870258
  H      -5.138513     -1.630861      4.741123
  H      -5.879517     -0.550352      3.557538
  H      -3.550901     -2.487333      3.250662
  H      -4.980180     -2.288975      2.245715
  H      -2.763465     -1.639971      1.194271
  H      -2.622995     -0.303659      2.368785
  H      -5.448334      0.900894     -0.900971
  H      -4.973898      3.031521     -2.069069
  H      -1.120487      4.732306     -0.339582
  H       0.458306      4.051800      1.518145
  H      -0.015669      1.928752      2.760104
  H      -2.960055      4.650162      2.745810
  H      -4.032851      5.642754      3.742507
  H      -6.003271      4.370455      2.873242
  H      -4.930606      3.335782      1.925515
  H      -4.186640      5.263363      0.560647
  H      -5.205264      6.369926      1.515353
  H      -7.136276      6.636331      2.211137
  H      -9.538276      6.874955      2.688889
  H     -11.806631      3.826780      0.128776
  H     -11.098609      2.093558     -1.569433
  H      -8.679617      1.911859     -2.163267
  H      -7.094134      2.351932      8.297888
  H      -7.537737      2.601452      6.611275
  H      -5.403166      4.471039      7.290772
  H      -6.681125      4.681909      8.505404
  H      -6.932109      6.138466      6.398337
  H      -8.337465      5.094613      6.732750
  H      -9.697673      5.075334      5.369804
  H     -11.492131      3.780043      4.269189
  H      -9.490562      0.813748      1.456009
  H      -7.038528      0.337081      0.887427
  H      -5.289505      1.141971      2.381929
98
Coordinates from ORCA-job orca E -6374.139794608515
  N      -4.188197      0.251390      4.436378
  Mo     -4.838405      2.083532      5.029189
  N      -5.564203      2.092041      6.902382
  C      -4.643325      1.931652      8.025951
  C      -3.371562      1.261065      7.559630
  N      -2.980286      1.837846      6.255181
  C      -2.102241      0.918792      5.500887
  C      -2.936478     -0.241464      5.005151
  C      -2.399871      3.191358      6.388820
  C      -2.491116      3.916732      5.060298
  N      -3.790491      3.687256      4.422310
  H      -2.336809     -0.801262      4.265681
  H      -3.141508     -0.967260      5.822441
  H      -1.704671      1.472901      4.641437
  H      -1.254625      0.580731      6.124822
  H      -2.334495      4.997533      5.246487
  H      -1.667009      3.611612      4.381330
  H      -2.996237      3.728067      7.139151
  H      -1.357194      3.137017      6.753384
  H      -5.110435      1.321044      8.822348
  H      -4.414321      2.911069      8.496536
  H      -3.560922      0.192559      7.399367
  H      -2.553726      1.360166      8.296051
  C      -4.967053     -0.862333      3.902417
  C      -4.280583     -1.683496      2.775881
  C      -3.373348     -0.930731      1.819676
  O      -4.165968     -0.094820      0.929383
  C      -3.702966      1.020194      0.324219
  C      -4.523572      1.509261     -0.688460
  C      -4.213649      2.701094     -1.356687
  N      -3.139448      3.442266     -1.112521
  C      -2.314668      2.995065     -0.127357
  C      -1.172611      3.776815      0.182576
  C      -0.330538      3.393097      1.199664
  C      -0.633645      2.210415      1.907485
  N      -1.677252      1.440299      1.649636
  C      -2.528768      1.796826      0.647542
  C      -3.917499      4.657107      3.330276
  C      -5.036949      4.375742      2.349937
  C      -5.082440      5.351443      1.187584
  O      -6.132095      4.949148      0.275489
  C      -7.407935      5.086472      0.680950
  C      -7.845462      5.941036      1.683266
  C      -9.223069      6.020060      1.970146
  N     -10.170981      5.314845      1.375623
  C      -9.754380      4.430268      0.421932
  C     -10.711384      3.589144     -0.194691
  C     -10.299206      2.679814     -1.142379
  C      -8.928199      2.620832     -1.480560
  N      -7.994135      3.381138     -0.929853
  C      -8.389766      4.274100      0.016787
  C      -6.752479      2.801036      7.367674
  C      -6.477314      4.320185      7.529863
  C      -7.249312      5.127578      6.506577
  O      -7.068058      4.496564      5.215089
  C      -8.121223      3.785076      4.709625
  C      -9.448710      4.185588      4.884559
  C     -10.464611      3.455642      4.259402
  N     -10.251487      2.460218      3.413620
  C      -8.954103      2.104619      3.169868
  C      -8.704618      1.213341      2.107688
  C      -7.377524      0.972445      1.771188
  C      -6.354351      1.451843      2.570859
  N      -6.525937      2.154601      3.740961
  C      -7.835276      2.657412      3.903521
  H      -5.202381     -1.575827      4.721115
  H      -5.927482     -0.481067      3.540972
  H      -3.643523     -2.464308      3.223683
  H      -5.061694     -2.221341      2.214408
  H      -2.825612     -1.642461      1.179878
  H      -2.652579     -0.298907      2.340472
  H      -5.432634      0.963272     -0.940132
  H      -4.900501      3.070740     -2.122898
  H      -1.005450      4.680879     -0.405427
  H       0.550406      3.979705      1.463921
  H       0.018672      1.882096      2.722719
  H      -2.958862      4.685594      2.769505
  H      -4.042488      5.675107      3.758788
  H      -6.000083      4.395063      2.871122
  H      -4.916631      3.367375      1.932897
  H      -4.172232      5.303395      0.575676
  H      -5.225973      6.395035      1.514525
  H      -7.149235      6.552427      2.255089
  H      -9.554284      6.715401      2.748889
  H     -11.752935      3.678526      0.117359
  H     -11.007265      2.005177     -1.625418
  H      -8.590087      1.906638     -2.238838
  H      -7.090707      2.365854      8.326431
  H      -7.567691      2.631483      6.651841
  H      -5.402297      4.483342      7.359344
  H      -6.710798      4.695063      8.538823
  H      -6.878367      6.158878      6.419807
  H      -8.315053      5.162820      6.762772
  H      -9.703441      5.074613      5.457564
  H     -11.508909      3.740473      4.424003
  H      -9.547524      0.825412      1.536707
  H      -7.108220      0.387438      0.891730
  H      -5.324733      1.208567      2.332479
98
Coordinates from ORCA-job orca E -6374.140502088274
  N      -4.164988      0.247426      4.438597
  Mo     -4.816708      2.079746      5.027323
  N      -5.536492      2.089004      6.903933
  C      -4.608898      1.925681      8.022545
  C      -3.334218      1.264702      7.550433
  N      -2.950745      1.843265      6.245120
  C      -2.073613      0.928747      5.484080
  C      -2.905022     -0.237044      4.996503
  C      -2.378582      3.199517      6.375456
  C      -2.474984      3.921491      5.045547
  N      -3.771541      3.679188      4.407165
  H      -2.307691     -0.794363      4.253135
  H      -3.099039     -0.963217      5.816087
  H      -1.687207      1.484910      4.620615
  H      -1.218380      0.596026      6.100419
  H      -2.328362      5.003849      5.231023
  H      -1.647803      3.622805      4.367905
  H      -2.978412      3.734124      7.124706
  H      -1.335366      3.153213      6.739806
  H      -5.069434      1.306607      8.816287
  H      -4.384380      2.902752      8.500096
  H      -3.515607      0.194605      7.391525
  H      -2.515199      1.369647      8.284939
  C      -4.948653     -0.874099      3.928674
  C      -4.276277     -1.701008      2.798955
  C      -3.378196     -0.953144      1.831215
  O      -4.178915     -0.128853      0.937236
  C      -3.735413      1.004370      0.352935
  C      -4.565780      1.501525     -0.647667
  C      -4.271501      2.706917     -1.298291
  N      -3.204605      3.455884     -1.045794
  C      -2.372403      3.002238     -0.069634
  C      -1.240248      3.792939      0.252638
  C      -0.389626      3.401072      1.260015
  C      -0.673585      2.199839      1.944307
  N      -1.709105      1.422487      1.675947
  C      -2.569513      1.788306      0.684760
  C      -3.910713      4.646888      3.315513
  C      -5.033914      4.359801      2.341788
  C      -5.094114      5.347896      1.189745
  O      -6.140480      4.951262      0.271559
  C      -7.420665      5.081076      0.666009
  C      -7.876210      5.917198      1.676186
  C      -9.259356      5.990717      1.939575
  N     -10.196261      5.296798      1.314081
  C      -9.761616      4.427783      0.353756
  C     -10.703886      3.590352     -0.291347
  C     -10.270419      2.694381     -1.243434
  C      -8.894378      2.649348     -1.561267
  N      -7.974848      3.407557     -0.984279
  C      -8.390317      4.282045     -0.030005
  C      -6.725460      2.788899      7.383718
  C      -6.460338      4.308609      7.555025
  C      -7.209600      5.118793      6.514026
  O      -7.041938      4.469283      5.231158
  C      -8.110810      3.782448      4.725479
  C      -9.431012      4.206197      4.900638
  C     -10.458611      3.494876      4.271913
  N     -10.261711      2.503463      3.417870
  C      -8.969802      2.131894      3.168843
  C      -8.731016      1.257380      2.090987
  C      -7.405913      0.999092      1.756819
  C      -6.377897      1.442670      2.571374
  N      -6.544237      2.131453      3.750474
  C      -7.844753      2.655416      3.912073
  H      -5.166978     -1.580840      4.757851
  H      -5.916880     -0.500874      3.579886
  H      -3.636398     -2.481996      3.242518
  H      -5.063307     -2.239191      2.245999
  H      -2.832404     -1.669155      1.194531
  H      -2.655584     -0.313435      2.340605
  H      -5.470001      0.949863     -0.904078
  H      -4.966687      3.081661     -2.054166
  H      -1.086756      4.709848     -0.319026
  H       0.484531      3.993978      1.532648
  H      -0.011644      1.862013      2.748316
  H      -2.955772      4.683050      2.748801
  H      -4.040874      5.663505      3.745961
  H      -5.994138      4.365890      2.868963
  H      -4.906877      3.355935      1.914699
  H      -4.185000      5.313929      0.575599
  H      -5.245712      6.386632      1.528204
  H      -7.190551      6.517403      2.271858
  H      -9.604875      6.671976      2.724382
  H     -11.750677      3.668701      0.005788
  H     -10.964761      2.017879     -1.744204
  H      -8.538569      1.949207     -2.324529
  H      -7.046350      2.345721      8.344667
  H      -7.549191      2.617041      6.678480
  H      -5.381454      4.476962      7.419502
  H      -6.725986      4.680152      8.557287
  H      -6.814507      6.140014      6.414900
  H      -8.274677      5.182861      6.767236
  H      -9.671471      5.098757      5.473806
  H     -11.498333      3.794956      4.438848
  H      -9.577932      0.898046      1.507947
  H      -7.142821      0.425211      0.867979
  H      -5.351887      1.181661      2.335397
98
Coordinates from ORCA-job orca E -6374.140638459788
  N      -4.139780      0.257489      4.441044
  Mo     -4.801805      2.086896      5.024584
  N      -5.518680      2.092987      6.903121
  C      -4.584962      1.932081      8.018080
  C      -3.303899      1.285968      7.541820
  N      -2.928612      1.866888      6.235682
  C      -2.047787      0.959362      5.470249
  C      -2.872262     -0.214826      4.991210
  C      -2.368167      3.227274      6.362859
  C      -2.470389      3.943969      5.030726
  N      -3.764165      3.687806      4.392744
  H      -2.274983     -0.769953      4.245982
  H      -3.054855     -0.939815      5.814427
  H      -1.672712      1.517483      4.602844
  H      -1.185310      0.635720      6.081332
  H      -2.334807      5.028125      5.214268
  H      -1.639543      3.651957      4.354773
  H      -2.973121      3.758729      7.110389
  H      -1.324620      3.191389      6.727693
  H      -5.036634      1.302093      8.808434
  H      -4.370578      2.907688      8.502964
  H      -3.472889      0.213603      7.384538
  H      -2.485128      1.400253      8.275380
  C      -4.928948     -0.875375      3.964664
  C      -4.272535     -1.727693      2.844872
  C      -3.382017     -1.006268      1.851401
  O      -4.187121     -0.213030      0.933585
  C      -3.760765      0.930879      0.359449
  C      -4.590052      1.419456     -0.646169
  C      -4.312370      2.635157     -1.284809
  N      -3.263545      3.403600     -1.013827
  C      -2.433442      2.957930     -0.032160
  C      -1.322037      3.768613      0.312682
  C      -0.473966      3.383255      1.325125
  C      -0.740132      2.168862      1.993761
  N      -1.758363      1.375544      1.706811
  C      -2.614811      1.734024      0.709418
  C      -3.913991      4.661037      3.306884
  C      -5.044530      4.382269      2.339700
  C      -5.104648      5.373477      1.189611
  O      -6.160234      4.989781      0.277562
  C      -7.437670      5.156962      0.665762
  C      -7.877052      6.016805      1.662539
  C      -9.259571      6.129941      1.915587
  N     -10.210551      5.450645      1.295568
  C      -9.792707      4.555946      0.352102
  C     -10.751347      3.730219     -0.283779
  C     -10.334374      2.805430     -1.215835
  C      -8.957404      2.720168     -1.522558
  N      -8.024313      3.469771     -0.956320
  C      -8.423743      4.372230     -0.022856
  C      -6.718497      2.766404      7.396805
  C      -6.498782      4.292931      7.561975
  C      -7.225016      5.073812      6.480592
  O      -7.026534      4.402968      5.214679
  C      -8.083941      3.713904      4.690023
  C      -9.411192      4.124725      4.840957
  C     -10.418761      3.402901      4.189841
  N     -10.195360      2.414651      3.337818
  C      -8.894543      2.059639      3.110188
  C      -8.621423      1.190813      2.035304
  C      -7.286245      0.949433      1.729597
  C      -6.281437      1.403865      2.566804
  N      -6.483204      2.087341      3.742520
  C      -7.792058      2.593421      3.877463
  H      -5.133920     -1.564693      4.811621
  H      -5.902986     -0.511285      3.622608
  H      -3.630561     -2.501822      3.297597
  H      -5.066799     -2.274713      2.311139
  H      -2.837264     -1.740492      1.235053
  H      -2.658899     -0.348656      2.336848
  H      -5.480596      0.852349     -0.916439
  H      -5.006643      3.001487     -2.045342
  H      -1.180820      4.694151     -0.248149
  H       0.385866      3.990164      1.612117
  H      -0.078361      1.833624      2.799828
  H      -2.962401      4.702014      2.734690
  H      -4.043138      5.675034      3.743788
  H      -6.000590      4.393788      2.874874
  H      -4.928892      3.378414      1.909983
  H      -4.200016      5.331990      0.569797
  H      -5.246843      6.413525      1.527994
  H      -7.179797      6.607722      2.254059
  H      -9.591620      6.830654      2.688700
  H     -11.797661      3.839854      0.005382
  H     -11.042325      2.137132     -1.708644
  H      -8.611199      1.994317     -2.266022
  H      -7.010257      2.317937      8.364427
  H      -7.549991      2.569144      6.706154
  H      -5.419335      4.490150      7.480763
  H      -6.822453      4.666040      8.546524
  H      -6.831318      6.094088      6.367639
  H      -8.295341      5.141519      6.708999
  H      -9.672874      5.014191      5.410733
  H     -11.465162      3.687802      4.341710
  H      -9.449918      0.822590      1.432486
  H      -6.997605      0.382405      0.844077
  H      -5.246648      1.162053      2.350003
98
Coordinates from ORCA-job orca E -6374.141157640276
  N      -4.135871      0.263645      4.432834
  Mo     -4.815231      2.080329      5.033177
  N      -5.526601      2.063269      6.915084
  C      -4.588505      1.883631      8.024178
  C      -3.302504      1.257357      7.534776
  N      -2.936163      1.864792      6.238290
  C      -2.047524      0.980603      5.455565
  C      -2.858782     -0.198907      4.967178
  C      -2.393697      3.230419      6.385225
  C      -2.501092      3.961967      5.060871
  N      -3.788533      3.694400      4.413604
  H      -2.259265     -0.736413      4.210847
  H      -3.025814     -0.936712      5.782329
  H      -1.687377      1.555388      4.592999
  H      -1.176014      0.661783      6.056405
  H      -2.381696      5.045795      5.257568
  H      -1.662467      3.690086      4.385653
  H      -3.008138      3.744039      7.137478
  H      -1.350715      3.204063      6.752821
  H      -5.034996      1.234461      8.801941
  H      -4.379934      2.849881      8.529586
  H      -3.459963      0.185879      7.360844
  H      -2.484203      1.368156      8.269499
  C      -4.922767     -0.874137      3.964013
  C      -4.272914     -1.723829      2.837764
  C      -3.381764     -1.007587      1.839965
  O      -4.182789     -0.214818      0.916898
  C      -3.760479      0.934385      0.349778
  C      -4.587496      1.417267     -0.660709
  C      -4.314016      2.633052     -1.300625
  N      -3.270811      3.408024     -1.026375
  C      -2.440940      2.966784     -0.043062
  C      -1.329528      3.779668      0.297783
  C      -0.475498      3.395119      1.304941
  C      -0.736746      2.180395      1.975244
  N      -1.756325      1.387012      1.693877
  C      -2.618067      1.742984      0.700347
  C      -3.940324      4.670372      3.330100
  C      -5.056640      4.375406      2.350386
  C      -5.133733      5.367498      1.202362
  O      -6.168106      4.953433      0.278585
  C      -7.452812      5.086974      0.654989
  C      -7.919328      5.920400      1.661715
  C      -9.306128      6.002190      1.902743
  N     -10.237147      5.314523      1.262449
  C      -9.793073      4.447082      0.305805
  C     -10.732288      3.628147     -0.365825
  C     -10.291959      2.736657     -1.318933
  C      -8.909071      2.672807     -1.605165
  N      -7.992951      3.419084     -1.007562
  C      -8.416622      4.294323     -0.057738
  C      -6.718716      2.736041      7.431621
  C      -6.470363      4.253535      7.627218
  C      -7.135193      5.081780      6.538885
  O      -6.951587      4.422314      5.265340
  C      -8.035082      3.791641      4.719414
  C      -9.343964      4.257156      4.871787
  C     -10.378372      3.592601      4.201685
  N     -10.195023      2.603159      3.340850
  C      -8.910539      2.189980      3.117715
  C      -8.671761      1.303928      2.048110
  C      -7.347774      1.001271      1.749929
  C      -6.327242      1.417328      2.587076
  N      -6.503799      2.110756      3.760659
  C      -7.789282      2.671561      3.892482
  H      -5.114582     -1.565058      4.812838
  H      -5.902105     -0.516059      3.631455
  H      -3.631886     -2.501203      3.286437
  H      -5.071088     -2.266591      2.305373
  H      -2.843664     -1.748029      1.225351
  H      -2.653698     -0.352512      2.320364
  H      -5.472714      0.844162     -0.935545
  H      -5.006928      2.993935     -2.064941
  H      -1.191416      4.704721     -0.264577
  H       0.386077      4.002250      1.586101
  H      -0.069975      1.844475      2.777200
  H      -2.983004      4.728321      2.768852
  H      -4.089258      5.680766      3.769070
  H      -6.016361      4.363371      2.879927
  H      -4.915145      3.375976      1.918895
  H      -4.222335      5.358962      0.590794
  H      -5.314047      6.400953      1.542414
  H      -7.240188      6.515510      2.269938
  H      -9.659381      6.682223      2.684799
  H     -11.784314      3.720458     -0.091360
  H     -10.986340      2.081204     -1.846380
  H      -8.543321      1.969387     -2.360769
  H      -7.005720      2.272415      8.393336
  H      -7.559760      2.562583      6.747378
  H      -5.383432      4.424204      7.594597
  H      -6.823438      4.615353      8.605908
  H      -6.684128      6.080111      6.448009
  H      -8.203893      5.206600      6.748997
  H      -9.571128      5.145418      5.458439
  H     -11.412357      3.918672      4.355983
  H      -9.513140      0.965126      1.445725
  H      -7.081722      0.416646      0.869095
  H      -5.302793      1.133559      2.374498
98
Coordinates from ORCA-job orca E -6374.141160382334
  N      -4.154064      0.281627      4.430418
  Mo     -4.828315      2.099542      5.033725
  N      -5.559975      2.085069      6.908917
  C      -4.635348      1.891291      8.026631
  C      -3.348551      1.257666      7.550450
  N      -2.963375      1.865455      6.260354
  C      -2.073497      0.976866      5.484484
  C      -2.886507     -0.193973      4.976953
  C      -2.412659      3.227380      6.415458
  C      -2.499382      3.961456      5.090047
  N      -3.778652      3.698313      4.423229
  H      -2.279768     -0.727895      4.224033
  H      -3.068754     -0.938182      5.783133
  H      -1.698154      1.554020      4.630563
  H      -1.211654      0.647944      6.093689
  H      -2.379794      5.044961      5.287876
  H      -1.652028      3.686591      4.426680
  H      -3.031332      3.744163      7.162016
  H      -1.374004      3.193219      6.794492
  H      -5.096712      1.241462      8.795168
  H      -4.425383      2.852853      8.540314
  H      -3.509930      0.187315      7.372941
  H      -2.538316      1.362387      8.295042
  C      -4.947620     -0.841846      3.939669
  C      -4.299450     -1.678378      2.800789
  C      -3.390094     -0.956994      1.820280
  O      -4.172899     -0.139763      0.901088
  C      -3.738011      1.007715      0.335407
  C      -4.587778      1.521129     -0.641651
  C      -4.308939      2.736190     -1.280092
  N      -3.237698      3.482719     -1.039455
  C      -2.383581      3.013241     -0.091402
  C      -1.240109      3.796547      0.210066
  C      -0.357893      3.385502      1.181471
  C      -0.620684      2.171008      1.850195
  N      -1.668064      1.402587      1.603302
  C      -2.562517      1.787013      0.649516
  C      -3.911372      4.661253      3.326344
  C      -5.019067      4.352871      2.340087
  C      -5.082606      5.327954      1.177430
  O      -6.117811      4.908998      0.255078
  C      -7.402910      5.039805      0.634349
  C      -7.869290      5.868728      1.645629
  C      -9.255012      5.942319      1.895252
  N     -10.186064      5.253124      1.256418
  C      -9.742353      4.392079      0.293300
  C     -10.680516      3.567913     -0.373855
  C     -10.241081      2.683214     -1.333865
  C      -8.861222      2.636408     -1.636500
  N      -7.945558      3.384999     -1.040819
  C      -8.367089      4.247694     -0.078715
  C      -6.753380      2.756680      7.423484
  C      -6.497391      4.269930      7.638126
  C      -7.128241      5.109844      6.537123
  O      -6.971430      4.424346      5.274030
  C      -8.069551      3.788045      4.764947
  C      -9.377638      4.240337      4.959882
  C     -10.427886      3.550044      4.343017
  N     -10.265950      2.551560      3.489703
  C      -8.985904      2.155460      3.217088
  C      -8.779709      1.262984      2.146788
  C      -7.465043      0.980719      1.792532
  C      -6.415032      1.424542      2.576683
  N      -6.550279      2.129942      3.749742
  C      -7.841289      2.664281      3.937411
  H      -5.152178     -1.542236      4.777723
  H      -5.921361     -0.468036      3.605355
  H      -3.674088     -2.474275      3.239102
  H      -5.100127     -2.199416      2.250761
  H      -2.855833     -1.695824      1.200120
  H      -2.657875     -0.320006      2.316462
  H      -5.495583      0.971776     -0.890137
  H      -5.020672      3.121138     -2.015165
  H      -1.102892      4.723124     -0.350074
  H       0.525624      3.972358      1.436338
  H       0.069626      1.813382      2.621601
  H      -2.947862      4.704036      2.774293
  H      -4.059432      5.679124      3.748411
  H      -5.984912      4.345555      2.856453
  H      -4.874765      3.348128      1.920504
  H      -4.167787      5.298872      0.571208
  H      -5.252434      6.367966      1.501787
  H      -7.190714      6.464282      2.253946
  H      -9.607555      6.619866      2.679991
  H     -11.730703      3.649686     -0.089626
  H     -10.933978      2.018613     -1.852644
  H      -8.497649      1.944913     -2.403923
  H      -7.045913      2.283794      8.378936
  H      -7.592525      2.595513      6.734271
  H      -5.408955      4.432371      7.643196
  H      -6.879043      4.625770      8.608112
  H      -6.645478      6.091809      6.433036
  H      -8.191493      5.271305      6.746727
  H      -9.596344      5.131959      5.542723
  H     -11.459244      3.865359      4.532943
  H      -9.640685      0.904782      1.584859
  H      -7.229285      0.390433      0.907397
  H      -5.397004      1.153694      2.322300
98
Coordinates from ORCA-job orca E -6374.141788995823
  N      -4.136329      0.294233      4.432941
  Mo     -4.814562      2.107325      5.041275
  N      -5.531777      2.084222      6.922175
  C      -4.594148      1.887242      8.029705
  C      -3.304913      1.269482      7.537671
  N      -2.936486      1.886068      6.246570
  C      -2.047700      1.007890      5.456827
  C      -2.857038     -0.170298      4.960570
  C      -2.397769      3.252430      6.400528
  C      -2.499658      3.987938      5.076759
  N      -3.779829      3.712801      4.417993
  H      -2.256758     -0.700054      4.199517
  H      -3.020946     -0.914848      5.770332
  H      -1.690360      1.589543      4.598088
  H      -1.174379      0.686973      6.053843
  H      -2.390059      5.072158      5.276802
  H      -1.653439      3.723289      4.407959
  H      -3.017849      3.761653      7.151095
  H      -1.356690      3.227608      6.773649
  H      -5.042370      1.225117      8.795583
  H      -4.388227      2.844820      8.552137
  H      -3.456692      0.198326      7.356942
  H      -2.489383      1.378886      8.275823
  C      -4.937629     -0.838638      3.978376
  C      -4.308840     -1.699498      2.848293
  C      -3.409500     -1.002172      1.842981
  O      -4.198424     -0.210206      0.908026
  C      -3.773931      0.940717      0.345049
  C      -4.616512      1.442341     -0.644065
  C      -4.341968      2.658896     -1.281422
  N      -3.282414      3.418221     -1.026506
  C      -2.436450      2.959358     -0.065660
  C      -1.306359      3.755198      0.253233
  C      -0.432277      3.352334      1.235735
  C      -0.691209      2.134824      1.900980
  N      -1.727775      1.356567      1.639867
  C      -2.612120      1.732055      0.673363
  C      -3.930195      4.682489      3.329526
  C      -5.041154      4.375226      2.347105
  C      -5.115323      5.361615      1.194679
  O      -6.145865      4.942820      0.268599
  C      -7.432450      5.070153      0.639977
  C      -7.906585      5.882946      1.660228
  C      -9.294820      5.956328      1.895795
  N     -10.221021      5.280417      1.235997
  C      -9.769521      4.434354      0.263283
  C     -10.702137      3.625171     -0.429364
  C     -10.253921      2.754657     -1.398462
  C      -8.870173      2.705835     -1.683015
  N      -7.959965      3.442378     -1.064704
  C      -8.390817      4.292052     -0.095463
  C      -6.732232      2.731090      7.455541
  C      -6.508315      4.247657      7.674587
  C      -7.117619      5.078697      6.553981
  O      -6.947160      4.384648      5.298124
  C      -8.040900      3.762934      4.762020
  C      -9.351613      4.216985      4.934242
  C     -10.389346      3.541988      4.279268
  N     -10.211817      2.557618      3.412515
  C      -8.927253      2.160189      3.164653
  C      -8.696516      1.281595      2.087503
  C      -7.374421      0.999108      1.762378
  C      -6.342127      1.430368      2.577802
  N      -6.506114      2.121153      3.754977
  C      -7.799031      2.653710      3.919316
  H      -5.127595     -1.522498      4.833345
  H      -5.916934     -0.471466      3.653894
  H      -3.680149     -2.488714      3.293983
  H      -5.118641     -2.228397      2.319555
  H      -2.880098     -1.756283      1.237505
  H      -2.673560     -0.351260      2.315707
  H      -5.514698      0.882335     -0.903915
  H      -5.048080      3.034335     -2.026515
  H      -1.171519      4.683598     -0.304445
  H       0.441854      3.948127      1.502101
  H      -0.008783      1.784320      2.682348
  H      -2.970620      4.739414      2.772235
  H      -4.084984      5.695341      3.761000
  H      -6.003836      4.359449      2.870407
  H      -4.894556      3.374011      1.920181
  H      -4.200876      5.349271      0.587463
  H      -5.296754      6.396424      1.529474
  H      -7.232747      6.466876      2.284988
  H      -9.653780      6.621011      2.688523
  H     -11.755684      3.707114     -0.157646
  H     -10.942890      2.103948     -1.939279
  H      -8.497399      2.023050     -2.453859
  H      -6.999338      2.248877      8.413684
  H      -7.579299      2.554333      6.779069
  H      -5.424145      4.429017      7.721042
  H      -6.930590      4.597034      8.630123
  H      -6.625785      6.056026      6.448460
  H      -8.181702      5.251873      6.747653
  H      -9.582507      5.098906      5.527213
  H     -11.423465      3.859856      4.448811
  H      -9.544205      0.933805      1.499186
  H      -7.119230      0.419904      0.874823
  H      -5.317508      1.165470      2.342236
98
Coordinates from ORCA-job orca E -6374.141934215815
  N      -4.108413      0.295928      4.415277
  Mo     -4.809484      2.100590      5.021585
  N      -5.527395      2.065280      6.902383
  C      -4.588437      1.860229      8.008313
  C      -3.290944      1.263779      7.511880
  N      -2.929156      1.897216      6.227626
  C      -2.027980      1.039662      5.430534
  C      -2.819403     -0.149695      4.933949
  C      -2.410897      3.269047      6.392800
  C      -2.514284      4.008371      5.071745
  N      -3.785110      3.716909      4.402735
  H      -2.213937     -0.666983      4.168515
  H      -2.966941     -0.899339      5.742037
  H      -1.685011      1.631501      4.572540
  H      -1.146496      0.731264      6.022116
  H      -2.422887      5.093113      5.278165
  H      -1.658735      3.760628      4.408377
  H      -3.043644      3.764700      7.141766
  H      -1.371954      3.257584      6.772523
  H      -5.031129      1.181993      8.763169
  H      -4.392931      2.811242      8.546546
  H      -3.427668      0.192424      7.321429
  H      -2.478372      1.377182      8.252814
  C      -4.904265     -0.852406      3.988186
  C      -4.282528     -1.724196      2.862192
  C      -3.390726     -1.038789      1.842286
  O      -4.181114     -0.254969      0.901258
  C      -3.766303      0.908371      0.356912
  C      -4.592839      1.398846     -0.650726
  C      -4.324145      2.622095     -1.277711
  N      -3.285248      3.399281     -0.993213
  C      -2.454592      2.950750     -0.014503
  C      -1.345054      3.763381      0.333118
  C      -0.484379      3.368510      1.330255
  C      -0.737510      2.143429      1.984657
  N      -1.756265      1.351193      1.698153
  C      -2.625836      1.717402      0.715085
  C      -3.936075      4.687631      3.315434
  C      -5.048123      4.379268      2.335268
  C      -5.133838      5.362413      1.180689
  O      -6.163509      4.930895      0.259615
  C      -7.449746      5.077744      0.624425
  C      -7.916754      5.910907      1.631188
  C      -9.304552      6.006552      1.860300
  N     -10.237302      5.332683      1.207879
  C      -9.793963      4.466562      0.249444
  C     -10.736467      3.666876     -0.440830
  C     -10.298221      2.778511     -1.398193
  C      -8.913049      2.696818     -1.667675
  N      -7.993646      3.425786     -1.053249
  C      -8.415664      4.299198     -0.101200
  C      -6.729217      2.700769      7.448616
  C      -6.508510      4.213336      7.687988
  C      -7.064078      5.061449      6.548943
  O      -6.906051      4.358885      5.296845
  C      -8.013210      3.763307      4.758048
  C      -9.315605      4.240546      4.930467
  C     -10.363057      3.590943      4.265199
  N     -10.202241      2.605956      3.395295
  C      -8.925299      2.181637      3.152682
  C      -8.707546      1.291289      2.082298
  C      -7.389711      0.981162      1.763243
  C      -6.351512      1.400664      2.576776
  N      -6.507173      2.100381      3.750016
  C      -7.790881      2.654827      3.910312
  H      -5.074461     -1.526303      4.855146
  H      -5.891385     -0.500977      3.672535
  H      -3.648554     -2.506666      3.312162
  H      -5.095321     -2.260325      2.345480
  H      -2.868019     -1.801021      1.241400
  H      -2.649626     -0.384375      2.302125
  H      -5.474254      0.824329     -0.934551
  H      -5.018986      2.988605     -2.037301
  H      -1.212922      4.696247     -0.217680
  H       0.376209      3.975269      1.615275
  H      -0.064694      1.797524      2.777273
  H      -2.975884      4.747752      2.759170
  H      -4.093572      5.699916      3.747380
  H      -6.007180      4.361351      2.864656
  H      -4.899383      3.377452      1.910792
  H      -4.221612      5.357964      0.570545
  H      -5.326383      6.396859      1.511039
  H      -7.237921      6.497850      2.247525
  H      -9.657192      6.687159      2.642153
  H     -11.790523      3.773541     -0.179532
  H     -10.996299      2.141836     -1.943820
  H      -8.547140      1.994770     -2.424452
  H      -6.986447      2.206269      8.403153
  H      -7.580624      2.529216      6.776374
  H      -5.427531      4.388223      7.790687
  H      -6.974342      4.554553      8.626304
  H      -6.529216      6.015840      6.445358
  H      -8.121757      5.283637      6.726124
  H      -9.534345      5.121066      5.530627
  H     -11.391151      3.929368      4.431721
  H      -9.559864      0.951069      1.496376
  H      -7.143648      0.390048      0.880716
  H      -5.330249      1.121525      2.344111
98
Coordinates from ORCA-job orca E -6374.142195244895
  N      -4.095707      0.293972      4.423750
  Mo     -4.805912      2.095264      5.029793
  N      -5.528645      2.069503      6.909137
  C      -4.591359      1.866039      8.017045
  C      -3.291144      1.271063      7.524550
  N      -2.928454      1.901747      6.238851
  C      -2.021161      1.045585      5.446167
  C      -2.806129     -0.146896      4.945363
  C      -2.415832      3.276868      6.401572
  C      -2.518667      4.012203      5.077824
  N      -3.783577      3.708759      4.402266
  H      -2.195957     -0.659794      4.180771
  H      -2.952176     -0.898287      5.752093
  H      -1.675140      1.638016      4.589812
  H      -1.141755      0.740301      6.042430
  H      -2.437408      5.098425      5.280535
  H      -1.657416      3.769066      4.419797
  H      -3.052323      3.771219      7.148168
  H      -1.377777      3.270269      6.783792
  H      -5.035405      1.188231      8.771533
  H      -4.396752      2.817145      8.555412
  H      -3.423894      0.198637      7.337224
  H      -2.480162      1.389912      8.266379
  C      -4.890838     -0.855634      3.998055
  C      -4.273282     -1.727220      2.868302
  C      -3.388064     -1.040264      1.842898
  O      -4.186055     -0.261282      0.904115
  C      -3.779405      0.904482      0.358578
  C      -4.626281      1.407227     -0.626092
  C      -4.370545      2.639033     -1.241936
  N      -3.326011      3.412951     -0.968793
  C      -2.476376      2.952812     -0.012160
  C      -1.364936      3.765265      0.330483
  C      -0.490264      3.361809      1.312045
  C      -0.729294      2.127062      1.953273
  N      -1.748679      1.334257      1.670503
  C      -2.633607      1.710214      0.704762
  C      -3.943864      4.679974      3.317108
  C      -5.055594      4.365806      2.337852
  C      -5.140554      5.350340      1.184683
  O      -6.173122      4.925572      0.263646
  C      -7.459856      5.067204      0.629354
  C      -7.931263      5.883981      1.647776
  C      -9.319996      5.973353      1.874648
  N     -10.250018      5.308868      1.208316
  C      -9.802102      4.462214      0.234415
  C     -10.741047      3.676867     -0.477079
  C     -10.298224      2.810005     -1.452247
  C      -8.911642      2.736074     -1.718193
  N      -7.995875      3.451412     -1.083857
  C      -8.422480      4.302721     -0.114157
  C      -6.737451      2.697047      7.451492
  C      -6.525115      4.209849      7.696679
  C      -7.019080      5.064005      6.529811
  O      -6.866363      4.338523      5.290409
  C      -7.983459      3.765983      4.748194
  C      -9.281985      4.252576      4.923158
  C     -10.334332      3.611653      4.256333
  N     -10.183660      2.623523      3.388228
  C      -8.910720      2.186130      3.148097
  C      -8.699416      1.284091      2.086106
  C      -7.383892      0.964575      1.767606
  C      -6.341893      1.385517      2.576037
  N      -6.493510      2.093443      3.744405
  C      -7.773080      2.655505      3.901106
  H      -5.057263     -1.528551      4.866309
  H      -5.879392     -0.504613      3.685060
  H      -3.635756     -2.508523      3.315616
  H      -5.087515     -2.265001      2.355769
  H      -2.861344     -1.799560      1.242051
  H      -2.649948     -0.381534      2.300939
  H      -5.513831      0.836544     -0.898958
  H      -5.080713      3.015501     -1.982441
  H      -1.244588      4.706281     -0.209053
  H       0.370423      3.969514      1.594797
  H      -0.044590      1.774090      2.732028
  H      -2.985428      4.746487      2.758407
  H      -4.106238      5.690669      3.750989
  H      -6.016477      4.342934      2.864039
  H      -4.903701      3.365170      1.911862
  H      -4.229492      5.342462      0.572855
  H      -5.325554      6.384971      1.518240
  H      -7.255968      6.462933      2.275546
  H      -9.675926      6.640049      2.666988
  H     -11.796275      3.776877     -0.218060
  H     -10.994338      2.184014     -2.013135
  H      -8.540393      2.052843     -2.489367
  H      -6.997188      2.198936      8.403479
  H      -7.585517      2.524397      6.775224
  H      -5.450717      4.379824      7.857213
  H      -7.037300      4.550121      8.610692
  H      -6.443962      5.993859      6.422643
  H      -8.069801      5.332698      6.680077
  H      -9.497990      5.127636      5.531885
  H     -11.359292      3.959472      4.423413
  H      -9.553546      0.942684      1.504106
  H      -7.143346      0.363952      0.889997
  H      -5.322341      1.100181      2.346045
98
Coordinates from ORCA-job orca E -6374.142497959288
  N      -4.101792      0.316081      4.424269
  Mo     -4.805993      2.117484      5.034736
  N      -5.535632      2.089153      6.911270
  C      -4.602783      1.874134      8.021220
  C      -3.301591      1.280785      7.528280
  N      -2.934457      1.915704      6.245072
  C      -2.027114      1.060087      5.451660
  C      -2.812605     -0.129246      4.943317
  C      -2.418649      3.290139      6.411261
  C      -2.512350      4.026223      5.086125
  N      -3.773705      3.724235      4.403470
  H      -2.202188     -0.637382      4.175786
  H      -2.959206     -0.885075      5.745778
  H      -1.678132      1.655138      4.598879
  H      -1.149530      0.751163      6.048850
  H      -2.431052      5.112495      5.289273
  H      -1.646608      3.782007      4.433722
  H      -3.058622      3.785264      7.154264
  H      -1.382692      3.280062      6.799068
  H      -5.050895      1.190526      8.768042
  H      -4.405821      2.818919      8.569430
  H      -3.434690      0.209357      7.335904
  H      -2.491929      1.396217      8.272035
  C      -4.905968     -0.828561      4.003606
  C      -4.297915     -1.707987      2.874998
  C      -3.405000     -1.032509      1.848649
  O      -4.193810     -0.238546      0.914806
  C      -3.774925      0.918632      0.359813
  C      -4.628577      1.430337     -0.614238
  C      -4.360849      2.653014     -1.242928
  N      -3.297741      3.409049     -0.993483
  C      -2.440861      2.940601     -0.047509
  C      -1.307130      3.733581      0.266283
  C      -0.421129      3.320279      1.233222
  C      -0.670832      2.094764      1.887471
  N      -1.710317      1.319301      1.630679
  C      -2.608059      1.705974      0.681262
  C      -3.930023      4.690291      3.314246
  C      -5.043772      4.371351      2.337220
  C      -5.132960      5.354142      1.182934
  O      -6.165218      4.923576      0.263606
  C      -7.452124      5.054177      0.631906
  C      -7.926124      5.852864      1.663474
  C      -9.314625      5.929393      1.895314
  N     -10.242344      5.268797      1.222468
  C      -9.791777      4.440074      0.234537
  C     -10.727838      3.657598     -0.483292
  C     -10.283005      2.807389     -1.471523
  C      -8.897863      2.749493     -1.747050
  N      -7.983562      3.460844     -1.105721
  C      -8.412147      4.294075     -0.120477
  C      -6.758740      2.689740      7.453976
  C      -6.574850      4.200898      7.721544
  C      -7.021258      5.066134      6.541093
  O      -6.882273      4.326731      5.309123
  C      -8.002809      3.752574      4.776751
  C      -9.304535      4.222436      4.969698
  C     -10.354105      3.582458      4.297931
  N     -10.201323      2.608120      3.414679
  C      -8.926871      2.180648      3.165291
  C      -8.713972      1.287209      2.096033
  C      -7.397658      0.980061      1.767750
  C      -6.352841      1.409339      2.569056
  N      -6.502996      2.112817      3.740330
  C      -7.788613      2.654831      3.913508
  H      -5.076553     -1.498146      4.873642
  H      -5.892395     -0.469458      3.691574
  H      -3.668085     -2.494807      3.323460
  H      -5.119255     -2.237968      2.365689
  H      -2.893680     -1.798678      1.243297
  H      -2.654478     -0.387849      2.306451
  H      -5.530848      0.874238     -0.868398
  H      -5.076258      3.037326     -1.974531
  H      -1.179579      4.668307     -0.282451
  H       0.456008      3.913641      1.495149
  H       0.021374      1.735263      2.655959
  H      -2.971555      4.749571      2.754927
  H      -4.088318      5.704927      3.741060
  H      -6.003473      4.348963      2.865821
  H      -4.891411      3.369034      1.914014
  H      -4.221673      5.349542      0.570597
  H      -5.321113      6.387987      1.516586
  H      -7.253284      6.427198      2.298049
  H      -9.672652      6.581965      2.698596
  H     -11.782475      3.744809     -0.217563
  H     -10.976579      2.181891     -2.035229
  H      -8.526110      2.080548     -2.530356
  H      -7.015718      2.177050      8.399092
  H      -7.600042      2.511631      6.771175
  H      -5.512019      4.379307      7.937561
  H      -7.133813      4.521526      8.614814
  H      -6.410379      5.972212      6.431747
  H      -8.062022      5.376776      6.675878
  H      -9.528875      5.081514      5.597525
  H     -11.380095      3.923831      4.471602
  H      -9.569209      0.942929      1.515832
  H      -7.158640      0.384711      0.885997
  H      -5.330712      1.142837      2.327164
98
Coordinates from ORCA-job orca E -6374.142929337132
  N      -4.092155      0.321631      4.423244
  Mo     -4.811756      2.116864      5.035988
  N      -5.544797      2.082796      6.911534
  C      -4.614359      1.866607      8.022912
  C      -3.308410      1.283438      7.530190
  N      -2.942608      1.925151      6.250396
  C      -2.025690      1.079675      5.457398
  C      -2.799422     -0.114255      4.941640
  C      -2.437860      3.303035      6.422624
  C      -2.529892      4.040536      5.098347
  N      -3.782926      3.727614      4.405946
  H      -2.182932     -0.612206      4.172190
  H      -2.940090     -0.875665      5.739894
  H      -1.678180      1.680516      4.608057
  H      -1.147653      0.775474      6.056341
  H      -2.461020      5.127296      5.303640
  H      -1.656512      3.806571      4.452309
  H      -3.085279      3.791549      7.163688
  H      -1.403738      3.299605      6.815348
  H      -5.060770      1.176037      8.764228
  H      -4.422729      2.808716      8.577797
  H      -3.433940      0.211886      7.333206
  H      -2.500964      1.401707      8.275890
  C      -4.890817     -0.829237      4.008468
  C      -4.281809     -1.710914      2.881529
  C      -3.392865     -1.038365      1.849829
  O      -4.183823     -0.246067      0.916507
  C      -3.767691      0.910000      0.356583
  C      -4.623826      1.416504     -0.617937
  C      -4.359239      2.637313     -1.251747
  N      -3.297114      3.395914     -1.006652
  C      -2.438010      2.932795     -0.059951
  C      -1.305746      3.729476      0.249476
  C      -0.418478      3.322216      1.217871
  C      -0.664432      2.098240      1.876442
  N      -1.701826      1.318942      1.623017
  C      -2.601711      1.700583      0.673581
  C      -3.936983      4.689155      3.312801
  C      -5.045552      4.364648      2.331719
  C      -5.132853      5.344883      1.175063
  O      -6.165252      4.913789      0.256148
  C      -7.451714      5.052240      0.623558
  C      -7.920703      5.857122      1.652791
  C      -9.308626      5.944770      1.883732
  N     -10.240939      5.291095      1.210686
  C      -9.795789      4.456737      0.225098
  C     -10.737974      3.681274     -0.492195
  C     -10.299893      2.826168     -1.478999
  C      -8.915093      2.755630     -1.753247
  N      -7.994834      3.459505     -1.111930
  C      -8.416999      4.297997     -0.128125
  C      -6.775341      2.669667      7.453751
  C      -6.605559      4.178797      7.737758
  C      -6.979933      5.057255      6.537732
  O      -6.855008      4.307692      5.311114
  C      -7.985330      3.748035      4.784079
  C      -9.283433      4.221678      4.990382
  C     -10.339394      3.591123      4.319263
  N     -10.197495      2.621540      3.428940
  C      -8.927039      2.186661      3.171678
  C      -8.723920      1.290788      2.102396
  C      -7.410495      0.973657      1.770918
  C      -6.359866      1.395928      2.567819
  N      -6.501552      2.102409      3.739057
  C      -7.783122      2.652761      3.915298
  H      -5.054468     -1.496238      4.881764
  H      -5.880349     -0.476910      3.697893
  H      -3.647916     -2.493059      3.332528
  H      -5.102937     -2.246161      2.377437
  H      -2.884267     -1.806140      1.244252
  H      -2.640025     -0.393657      2.304022
  H      -5.525516      0.857966     -0.868402
  H      -5.076401      3.017932     -1.983623
  H      -1.180691      4.662272     -0.303092
  H       0.457172      3.918852      1.477312
  H       0.029793      1.743005      2.645238
  H      -2.976221      4.749284      2.757178
  H      -4.099618      5.705024      3.735327
  H      -6.007289      4.340941      2.855909
  H      -4.888121      3.362030      1.911082
  H      -4.221319      5.337401      0.563256
  H      -5.319524      6.379834      1.506347
  H      -7.244320      6.429054      2.285751
  H      -9.662100      6.602003      2.685207
  H     -11.792032      3.777930     -0.227484
  H     -10.999244      2.206935     -2.042465
  H      -8.549011      2.083312     -2.536337
  H      -7.034387      2.147686      8.393217
  H      -7.611660      2.491799      6.765293
  H      -5.557042      4.352760      8.017481
  H      -7.213456      4.490698      8.601524
  H      -6.317477      5.926416      6.433336
  H      -8.003410      5.429234      6.645568
  H      -9.503430      5.072632      5.630383
  H     -11.362310      3.937871      4.500444
  H      -9.582731      0.950375      1.525355
  H      -7.179004      0.374087      0.890072
  H      -5.340221      1.121941      2.324599
98
Coordinates from ORCA-job orca E -6374.143311232029
  N      -4.085645      0.325950      4.425229
  Mo     -4.820634      2.114126      5.043233
  N      -5.552678      2.072396      6.919609
  C      -4.622174      1.856369      8.030384
  C      -3.312494      1.283945      7.535060
  N      -2.951283      1.932766      6.258101
  C      -2.026007      1.098151      5.463669
  C      -2.788428     -0.100179      4.940969
  C      -2.458109      3.314181      6.436096
  C      -2.552029      4.053969      5.113546
  N      -3.797866      3.730202      4.413668
  H      -2.166947     -0.587143      4.168377
  H      -2.921667     -0.867733      5.734624
  H      -1.681432      1.705296      4.617560
  H      -1.146539      0.798512      6.062801
  H      -2.495634      5.140965      5.321418
  H      -1.672517      3.831134      4.471848
  H      -3.111367      3.795281      7.177075
  H      -1.424946      3.317713      6.831247
  H      -5.064747      1.159034      8.767536
  H      -4.435227      2.796269      8.590882
  H      -3.430505      0.212321      7.333559
  H      -2.505627      1.405303      8.280859
  C      -4.877414     -0.831159      4.013871
  C      -4.266107     -1.712450      2.887191
  C      -3.381500     -1.040421      1.851453
  O      -4.175082     -0.250443      0.918516
  C      -3.762306      0.903494      0.351091
  C      -4.621525      1.402465     -0.624574
  C      -4.360547      2.619831     -1.266610
  N      -3.299326      3.381544     -1.028349
  C      -2.437549      2.926258     -0.080113
  C      -1.307120      3.727866      0.222773
  C      -0.418573      3.329736      1.193887
  C      -0.660092      2.108791      1.859683
  N      -1.694830      1.324350      1.611460
  C      -2.597198      1.698271      0.661259
  C      -3.949216      4.685968      3.315160
  C      -5.049787      4.354804      2.327306
  C      -5.131884      5.332241      1.167759
  O      -6.161224      4.900437      0.245681
  C      -7.448271      5.048292      0.607823
  C      -7.914473      5.863386      1.630518
  C      -9.302304      5.965035      1.855587
  N     -10.237848      5.317597      1.181334
  C      -9.796176      4.473725      0.202375
  C     -10.743375      3.704290     -0.514545
  C     -10.310480      2.840969     -1.496143
  C      -8.925552      2.755626     -1.765524
  N      -8.000195      3.452600     -1.123665
  C      -8.417500      4.299235     -0.144385
  C      -6.789068      2.646186      7.463675
  C      -6.631536      4.153499      7.761329
  C      -6.939618      5.044130      6.547046
  O      -6.827694      4.289796      5.322549
  C      -7.967152      3.745870      4.798612
  C      -9.261274      4.223461      5.019096
  C     -10.323898      3.604510      4.347265
  N     -10.193268      2.641552      3.448040
  C      -8.927168      2.198765      3.182398
  C      -8.734617      1.301580      2.112031
  C      -7.424410      0.972577      1.778207
  C      -6.368199      1.384251      2.572568
  N      -6.501005      2.092293      3.744801
  C      -7.777444      2.654073      3.922980
  H      -5.033420     -1.497405      4.889084
  H      -5.870470     -0.486163      3.705358
  H      -3.627424     -2.489846      3.339722
  H      -5.086173     -2.253210      2.387286
  H      -2.873904     -1.808477      1.245402
  H      -2.627625     -0.394979      2.303228
  H      -5.522553      0.840723     -0.869641
  H      -5.079875      2.994915     -1.999274
  H      -1.185064      4.657385     -0.335954
  H       0.455108      3.930850      1.449580
  H       0.036443      1.760150      2.629582
  H      -2.985243      4.747556      2.764866
  H      -4.117771      5.703198      3.732364
  H      -6.015098      4.329065      2.844019
  H      -4.885003      3.352256      1.909413
  H      -4.218176      5.321597      0.559497
  H      -5.317934      6.368383      1.495962
  H      -7.235766      6.434089      2.262080
  H      -9.652850      6.630246      2.651720
  H     -11.797343      3.812370     -0.253985
  H     -11.014849      2.226939     -2.058954
  H      -8.564114      2.078086     -2.546274
  H      -7.048848      2.115965      8.398349
  H      -7.621687      2.468449      6.771572
  H      -5.598610      4.322400      8.096416
  H      -7.280805      4.457958      8.597038
  H      -6.231590      5.876992      6.450628
  H      -7.943327      5.471607      6.631098
  H      -9.476192      5.064594      5.673356
  H     -11.343527      3.956609      4.536695
  H      -9.597022      0.967185      1.536968
  H      -7.200646      0.369295      0.898028
  H      -5.351616      1.099601      2.329482
98
Coordinates from ORCA-job orca E -6374.143157227321
  N      -4.088315      0.337580      4.396658
  Mo     -4.802044      2.128738      5.015162
  N      -5.539106      2.080951      6.889498
  C      -4.610738      1.850882      7.999859
  C      -3.301889      1.276305      7.500842
  N      -2.935016      1.932730      6.227120
  C      -2.018159      1.095246      5.424324
  C      -2.791308     -0.098297      4.904401
  C      -2.436317      3.311760      6.410551
  C      -2.523761      4.058878      5.089250
  N      -3.768449      3.739001      4.387511
  H      -2.177894     -0.589318      4.128539
  H      -2.925453     -0.864853      5.699029
  H      -1.675877      1.702313      4.577112
  H      -1.137153      0.789102      6.017955
  H      -2.463936      5.145114      5.302284
  H      -1.643050      3.835915      4.449207
  H      -3.090720      3.792703      7.150225
  H      -1.404566      3.309706      6.809694
  H      -5.056114      1.149241      8.731741
  H      -4.421464      2.785905      8.566017
  H      -3.425529      0.206740      7.291932
  H      -2.495704      1.386853      8.249270
  C      -4.898970     -0.809678      3.997918
  C      -4.301517     -1.700341      2.874885
  C      -3.423613     -1.028237      1.836103
  O      -4.225388     -0.224963      0.923658
  C      -3.806439      0.937913      0.384501
  C      -4.656064      1.459035     -0.587769
  C      -4.383564      2.687361     -1.203208
  N      -3.322673      3.442060     -0.938192
  C      -2.472694      2.965581      0.010317
  C      -1.343789      3.757533      0.343669
  C      -0.465877      3.335149      1.314221
  C      -0.720167      2.103110      1.954241
  N      -1.755272      1.328095      1.678558
  C      -2.643486      1.722840      0.723883
  C      -3.920872      4.687946      3.284733
  C      -5.020013      4.337028      2.301092
  C      -5.130092      5.306292      1.138189
  O      -6.158316      4.849962      0.226416
  C      -7.444885      4.950129      0.603420
  C      -7.926132      5.707462      1.662465
  C      -9.314790      5.756116      1.901375
  N     -10.235360      5.103803      1.210404
  C      -9.776899      4.315130      0.193630
  C     -10.705781      3.552068     -0.554153
  C     -10.253540      2.749564     -1.578562
  C      -8.868237      2.716614     -1.857238
  N      -7.960359      3.409878     -1.187540
  C      -8.396649      4.200114     -0.169918
  C      -6.781751      2.648664      7.426559
  C      -6.622128      4.144196      7.768179
  C      -6.859494      5.071501      6.567744
  O      -6.783351      4.333273      5.334917
  C      -7.940024      3.809978      4.824827
  C      -9.223461      4.297549      5.081883
  C     -10.305045      3.714474      4.406535
  N     -10.201142      2.770951      3.482787
  C      -8.946436      2.309782      3.193140
  C      -8.779938      1.427914      2.105870
  C      -7.480457      1.070882      1.759266
  C      -6.407779      1.449325      2.550347
  N      -6.516089      2.156689      3.723853
  C      -7.780085      2.732790      3.925797
  H      -5.062766     -1.470399      4.876355
  H      -5.887572     -0.451936      3.690832
  H      -3.664920     -2.482101      3.322617
  H      -5.128578     -2.235062      2.379847
  H      -2.930787     -1.795987      1.217261
  H      -2.659679     -0.390353      2.280102
  H      -5.557718      0.905082     -0.851077
  H      -5.092964      3.077772     -1.937388
  H      -1.212692      4.698236     -0.193836
  H       0.407069      3.927724      1.591492
  H      -0.037100      1.738630      2.727911
  H      -2.957760      4.751860      2.734124
  H      -4.095952      5.707232      3.694657
  H      -5.982438      4.300279      2.825034
  H      -4.842543      3.332992      1.892622
  H      -4.222031      5.318124      0.520996
  H      -5.338855      6.337570      1.467390
  H      -7.258625      6.267418      2.315245
  H      -9.678629      6.371466      2.731013
  H     -11.761121      3.618461     -0.284854
  H     -10.941809      2.144636     -2.170717
  H      -8.492230      2.086573     -2.670227
  H      -7.057483      2.100158      8.346273
  H      -7.606012      2.487652      6.719265
  H      -5.604046      4.290511      8.158360
  H      -7.306274      4.437055      8.579341
  H      -6.092200      5.853260      6.494738
  H      -7.829872      5.573146      6.642687
  H      -9.415497      5.120510      5.767356
  H     -11.317668      4.069306      4.625953
  H      -9.654948      1.120682      1.534255
  H      -7.276920      0.476214      0.867050
  H      -5.399495      1.146651      2.291812
98
Coordinates from ORCA-job orca E -6374.143684506053
  N      -4.072214      0.328522      4.394384
  Mo     -4.800853      2.119232      4.998369
  N      -5.550705      2.080154      6.867194
  C      -4.631384      1.861951      7.986628
  C      -3.317388      1.287765      7.500541
  N      -2.943218      1.937994      6.225861
  C      -2.014658      1.100140      5.437059
  C      -2.777594     -0.098842      4.915080
  C      -2.450469      3.319623      6.406115
  C      -2.530072      4.058971      5.080500
  N      -3.767597      3.730608      4.371066
  H      -2.155201     -0.589464      4.146091
  H      -2.914839     -0.863060      5.711455
  H      -1.664813      1.704155      4.590551
  H      -1.139235      0.799880      6.041766
  H      -2.476191      5.146599      5.288120
  H      -1.643192      3.836487      4.449112
  H      -3.111589      3.802383      7.138668
  H      -1.421679      3.322531      6.812674
  H      -5.079820      1.164410      8.720484
  H      -4.448561      2.801983      8.546721
  H      -3.437295      0.216809      7.296059
  H      -2.516547      1.404444      8.253716
  C      -4.872836     -0.825270      3.993934
  C      -4.262225     -1.714739      2.877221
  C      -3.386875     -1.036725      1.840611
  O      -4.192962     -0.233932      0.932143
  C      -3.774217      0.927593      0.389903
  C      -4.618463      1.441615     -0.590577
  C      -4.346043      2.669390     -1.207471
  N      -3.290791      3.429509     -0.935570
  C      -2.446601      2.959789      0.021702
  C      -1.324771      3.758134      0.363378
  C      -0.455533      3.343502      1.345098
  C      -0.711155      2.112959      1.987670
  N      -1.739154      1.331564      1.703670
  C      -2.618198      1.718652      0.737508
  C      -3.918853      4.676608      3.266531
  C      -5.021633      4.325975      2.287657
  C      -5.131544      5.290813      1.121388
  O      -6.177169      4.845192      0.224612
  C      -7.457307      4.964723      0.618653
  C      -7.913620      5.733965      1.680193
  C      -9.298158      5.803708      1.937350
  N     -10.237310      5.163723      1.259604
  C      -9.803616      4.364347      0.240298
  C     -10.753472      3.614151     -0.494651
  C     -10.325941      2.801383     -1.521799
  C      -8.944259      2.743106     -1.813770
  N      -8.017743      3.423435     -1.156198
  C      -8.429730      4.225661     -0.138410
  C      -6.800515      2.648438      7.385017
  C      -6.652128      4.144207      7.730458
  C      -6.845704      5.071107      6.520255
  O      -6.776568      4.324317      5.293233
  C      -7.936696      3.796100      4.796731
  C      -9.219717      4.281531      5.059442
  C     -10.303384      3.690069      4.394421
  N     -10.202041      2.741574      3.475350
  C      -8.947687      2.281300      3.182360
  C      -8.783131      1.393026      2.100340
  C      -7.483922      1.036600      1.751439
  C      -6.409432      1.420356      2.537228
  N      -6.515822      2.133594      3.707508
  C      -7.779588      2.711100      3.907195
  H      -5.037113     -1.484650      4.873282
  H      -5.861844     -0.475745      3.679473
  H      -3.619437     -2.488111      3.330674
  H      -5.082384     -2.259197      2.381381
  H      -2.889471     -1.799824      1.219638
  H      -2.626533     -0.396417      2.287805
  H      -5.515722      0.882998     -0.859075
  H      -5.050583      3.054635     -1.949072
  H      -1.192027      4.697183     -0.176585
  H       0.411943      3.940931      1.629056
  H      -0.034686      1.754854      2.770112
  H      -2.956674      4.737663      2.713768
  H      -4.091499      5.697144      3.674428
  H      -5.982366      4.296995      2.814769
  H      -4.850420      3.319232      1.883594
  H      -4.230617      5.287149      0.493910
  H      -5.322550      6.326544      1.447662
  H      -7.229650      6.287389      2.321359
  H      -9.642014      6.427273      2.769360
  H     -11.804562      3.699223     -0.214200
  H     -11.031179      2.208316     -2.106613
  H      -8.588208      2.103549     -2.628322
  H      -7.091777      2.100928      8.300580
  H      -7.612283      2.485887      6.662940
  H      -5.646496      4.289314      8.152762
  H      -7.360451      4.436073      8.520727
  H      -6.052280      5.826300      6.449519
  H      -7.799242      5.606729      6.576784
  H      -9.411230      5.106905      5.742103
  H     -11.315668      4.043719      4.617314
  H      -9.658991      1.079803      1.534323
  H      -7.282092      0.437103      0.861938
  H      -5.401557      1.116770      2.278209
98
Coordinates from ORCA-job orca E -6374.144379835740
  N      -4.056022      0.324006      4.404132
  Mo     -4.797983      2.111785      5.001603
  N      -5.561550      2.066946      6.864790
  C      -4.652003      1.856473      7.992654
  C      -3.332373      1.287177      7.516592
  N      -2.950944      1.938510      6.244522
  C      -2.010965      1.103909      5.466316
  C      -2.764398     -0.097676      4.937193
  C      -2.464029      3.321844      6.428262
  C      -2.533448      4.058889      5.100996
  N      -3.764045      3.727390      4.382510
  H      -2.133007     -0.585616      4.173852
  H      -2.906074     -0.862491      5.732254
  H      -1.653253      1.708333      4.623295
  H      -1.141642      0.806379      6.081024
  H      -2.482824      5.146946      5.307691
  H      -1.640576      3.837091      4.477864
  H      -3.133129      3.804194      7.153993
  H      -1.438923      3.327626      6.843876
  H      -5.102402      1.158164      8.724514
  H      -4.477342      2.798688      8.551715
  H      -3.448102      0.216040      7.310243
  H      -2.537144      1.405890      8.275295
  C      -4.846230     -0.835639      4.000484
  C      -4.222138     -1.722364      2.889309
  C      -3.361669     -1.037049      1.845725
  O      -4.184422     -0.251305      0.938275
  C      -3.780079      0.904194      0.373606
  C      -4.624325      1.382610     -0.624614
  C      -4.365278      2.600068     -1.267262
  N      -3.324597      3.382528     -1.003351
  C      -2.481928      2.948196     -0.027863
  C      -1.376715      3.772314      0.306117
  C      -0.511739      3.394819      1.306387
  C      -0.755087      2.176029      1.975819
  N      -1.766740      1.371058      1.699193
  C      -2.640250      1.721044      0.714307
  C      -3.907837      4.670261      3.275132
  C      -5.004519      4.317188      2.290474
  C      -5.108084      5.279655      1.121593
  O      -6.157719      4.840194      0.226456
  C      -7.436329      4.980711      0.618588
  C      -7.880928      5.768041      1.671853
  C      -9.264058      5.861426      1.928497
  N     -10.212886      5.229697      1.256841
  C      -9.791748      4.412754      0.246369
  C     -10.754016      3.671784     -0.481647
  C     -10.339993      2.842440     -1.500773
  C      -8.959307      2.755680     -1.789748
  N      -8.021127      3.426669     -1.138460
  C      -8.420080      4.247688     -0.130240
  C      -6.820565      2.627802      7.366151
  C      -6.688315      4.121459      7.726402
  C      -6.837114      5.058711      6.516493
  O      -6.768417      4.320711      5.285240
  C      -7.928327      3.789864      4.792229
  C      -9.210483      4.272242      5.062152
  C     -10.294996      3.681476      4.397480
  N     -10.194144      2.735501      3.475368
  C      -8.940233      2.274216      3.180818
  C      -8.776684      1.382146      2.101757
  C      -7.477841      1.018578      1.757805
  C      -6.403356      1.400947      2.544120
  N      -6.508559      2.122145      3.709759
  C      -7.771292      2.703696      3.904645
  H      -5.009534     -1.496188      4.879254
  H      -5.836599     -0.494662      3.680903
  H      -3.564365     -2.480238      3.347404
  H      -5.034301     -2.284912      2.400614
  H      -2.856913     -1.795982      1.225397
  H      -2.608159     -0.383649      2.285994
  H      -5.509678      0.803220     -0.888335
  H      -5.067986      2.956713     -2.024781
  H      -1.252941      4.700328     -0.254638
  H       0.343378      4.012272      1.584911
  H      -0.082351      1.848364      2.774491
  H      -2.942133      4.731093      2.728290
  H      -4.083535      5.691993      3.678949
  H      -5.967857      4.290415      2.813260
  H      -4.829920      3.309484      1.890585
  H      -4.207366      5.268266      0.493977
  H      -5.292219      6.317544      1.445265
  H      -7.188478      6.318733      2.306061
  H      -9.598271      6.498939      2.753801
  H     -11.803698      3.778225     -0.203127
  H     -11.055305      2.258788     -2.082693
  H      -8.615555      2.101623     -2.598069
  H      -7.127228      2.074552      8.273378
  H      -7.617775      2.465484      6.628381
  H      -5.695581      4.265204      8.179233
  H      -7.420537      4.403657      8.497978
  H      -6.017597      5.786830      6.460532
  H      -7.773404      5.627406      6.556301
  H      -9.400512      5.092197      5.752145
  H     -11.307360      4.032257      4.624498
  H      -9.652613      1.068325      1.536187
  H      -7.276223      0.413864      0.871849
  H      -5.396341      1.091260      2.288811
98
Coordinates from ORCA-job orca E -6374.144989742546
  N      -4.051060      0.316483      4.409438
  Mo     -4.806146      2.101993      4.998805
  N      -5.567642      2.060571      6.863300
  C      -4.658320      1.868196      7.993230
  C      -3.336493      1.302054      7.520690
  N      -2.959151      1.945981      6.243870
  C      -2.012565      1.110341      5.474919
  C      -2.759246     -0.096725      4.948829
  C      -2.478210      3.332482      6.419212
  C      -2.550488      4.060249      5.087613
  N      -3.778782      3.719114      4.371117
  H      -2.123288     -0.584366      4.188997
  H      -2.899928     -0.859184      5.746301
  H      -1.651443      1.711141      4.630584
  H      -1.146031      0.818456      6.096086
  H      -2.504317      5.149902      5.286930
  H      -1.656276      3.838035      4.466490
  H      -3.148608      3.817146      7.142358
  H      -1.452955      3.344588      6.834164
  H      -5.103518      1.174051      8.732175
  H      -4.488757      2.817100      8.542540
  H      -3.448072      0.229078      7.321073
  H      -2.540880      1.429407      8.277547
  C      -4.829985     -0.848212      3.998339
  C      -4.190969     -1.728144      2.890487
  C      -3.329148     -1.032491      1.855424
  O      -4.152333     -0.242752      0.952472
  C      -3.739944      0.905460      0.378599
  C      -4.578608      1.381143     -0.625480
  C      -4.310426      2.592704     -1.275790
  N      -3.266071      3.370755     -1.014261
  C      -2.430062      2.939851     -0.031321
  C      -1.324552      3.762795      0.304002
  C      -0.470898      3.392183      1.316660
  C      -0.725075      2.180901      1.995633
  N      -1.736222      1.375943      1.716829
  C      -2.598705      1.719833      0.720053
  C      -3.927045      4.655024      3.258483
  C      -5.020374      4.293389      2.273466
  C      -5.120924      5.250437      1.099437
  O      -6.183446      4.823009      0.213697
  C      -7.456933      4.985087      0.615103
  C      -7.881041      5.785733      1.666909
  C      -9.260371      5.901334      1.934832
  N     -10.224378      5.281508      1.273532
  C      -9.824055      4.453384      0.263621
  C     -10.803695      3.724184     -0.453582
  C     -10.410648      2.884111     -1.472386
  C      -9.033794      2.774089     -1.771066
  N      -8.080156      3.432773     -1.129491
  C      -8.458127      4.264581     -0.122399
  C      -6.833886      2.611545      7.353745
  C      -6.723889      4.105792      7.720550
  C      -6.823257      5.044533      6.504988
  O      -6.759480      4.304793      5.275487
  C      -7.923370      3.778220      4.788960
  C      -9.202027      4.265274      5.065362
  C     -10.290647      3.678041      4.403480
  N     -10.195318      2.734556      3.478142
  C      -8.943955      2.267791      3.180097
  C      -8.784489      1.378500      2.098455
  C      -7.486930      1.008311      1.755332
  C      -6.411316      1.379278      2.545336
  N      -6.513851      2.097986      3.713065
  C      -7.772932      2.689012      3.904455
  H      -4.994422     -1.511790      4.874667
  H      -5.820652     -0.514520      3.672448
  H      -3.529673     -2.480824      3.352012
  H      -4.994973     -2.296915      2.395608
  H      -2.817147     -1.784194      1.231979
  H      -2.580935     -0.378790      2.304884
  H      -5.465424      0.803826     -0.888611
  H      -5.007353      2.947383     -2.039607
  H      -1.192216      4.684904     -0.264504
  H       0.383867      4.009139      1.597334
  H      -0.059997      1.858495      2.803026
  H      -2.961405      4.719365      2.711633
  H      -4.108687      5.677562      3.657777
  H      -5.985366      4.268905      2.792683
  H      -4.842645      3.284283      1.878717
  H      -4.225269      5.222472      0.465660
  H      -5.287540      6.292737      1.418781
  H      -7.175111      6.329777      2.291846
  H      -9.577890      6.548449      2.759230
  H     -11.849323      3.848221     -0.167201
  H     -11.139675      2.309320     -2.046583
  H      -8.707838      2.111930     -2.580197
  H      -7.147507      2.054983      8.256811
  H      -7.620215      2.442338      6.606120
  H      -5.748114      4.253630      8.207806
  H      -7.484082      4.380947      8.466894
  H      -5.975688      5.740497      6.457982
  H      -7.738004      5.650141      6.525001
  H      -9.386252      5.081789      5.761217
  H     -11.301360      4.030731      4.635078
  H      -9.661062      1.071865      1.530663
  H      -7.287328      0.405870      0.867416
  H      -5.406494      1.061224      2.291381
98
Coordinates from ORCA-job orca E -6374.145577992330
  N      -4.038112      0.312718      4.416917
  Mo     -4.805034      2.095861      4.996895
  N      -5.574783      2.052093      6.858432
  C      -4.671560      1.871612      7.994254
  C      -3.345391      1.309311      7.529579
  N      -2.964700      1.951056      6.252530
  C      -2.008921      1.117061      5.493167
  C      -2.747711     -0.093672      4.964744
  C      -2.489135      3.339421      6.426843
  C      -2.554939      4.061798      5.092280
  N      -3.777553      3.714735      4.370738
  H      -2.105637     -0.579927      4.209061
  H      -2.889924     -0.855328      5.762685
  H      -1.642141      1.716779      4.650389
  H      -1.147152      0.828950      6.122562
  H      -2.512207      5.152365      5.287808
  H      -1.656187      3.839349      4.477688
  H      -3.165091      3.825025      7.144237
  H      -1.466411      3.355439      6.847775
  H      -5.115883      1.178640      8.734880
  H      -4.509035      2.824271      8.538984
  H      -3.453165      0.235564      7.331630
  H      -2.553294      1.440832      8.289353
  C      -4.807924     -0.857575      4.005009
  C      -4.155889     -1.735449      2.903770
  C      -3.304176     -1.031608      1.866571
  O      -4.140317     -0.253298      0.966293
  C      -3.735105      0.888208      0.374553
  C      -4.570817      1.338003     -0.643740
  C      -4.309311      2.541057     -1.312531
  N      -3.274835      3.333758     -1.055988
  C      -2.443469      2.928986     -0.057902
  C      -1.351254      3.770498      0.274737
  C      -0.507418      3.429649      1.305939
  C      -0.757693      2.229584      2.006065
  N      -1.755135      1.407001      1.729334
  C      -2.606832      1.721040      0.713677
  C      -3.924410      4.647617      3.256042
  C      -5.011176      4.279079      2.266847
  C      -5.109397      5.232467      1.089745
  O      -6.180658      4.813065      0.210975
  C      -7.450264      4.990105      0.618547
  C      -7.859679      5.794847      1.673089
  C      -9.236192      5.926774      1.948037
  N     -10.210892      5.321198      1.289124
  C      -9.825636      4.490094      0.275844
  C     -10.818023      3.777262     -0.440621
  C     -10.440078      2.934672     -1.463180
  C      -9.065608      2.803409     -1.764130
  N      -8.100666      3.446734     -1.123615
  C      -8.463736      4.283084     -0.115039
  C      -6.851378      2.590795      7.332443
  C      -6.766293      4.083418      7.711254
  C      -6.799729      5.028088      6.495034
  O      -6.741195      4.293354      5.263526
  C      -7.909179      3.772015      4.781717
  C      -9.184016      4.264707      5.064122
  C     -10.277262      3.680077      4.406653
  N     -10.188066      2.736245      3.480859
  C      -8.939647      2.263393      3.179107
  C      -8.785479      1.370642      2.099761
  C      -7.489798      0.992346      1.757435
  C      -6.411640      1.358557      2.546119
  N      -6.509680      2.081930      3.711212
  C      -7.765460      2.679986      3.900360
  H      -4.972233     -1.520753      4.881794
  H      -5.799269     -0.532109      3.673400
  H      -3.483966     -2.475574      3.370174
  H      -4.951421     -2.318440      2.411788
  H      -2.783606     -1.777686      1.243202
  H      -2.563731     -0.367649      2.314344
  H      -5.448804      0.746251     -0.904405
  H      -5.002924      2.875557     -2.088443
  H      -1.221802      4.682875     -0.309900
  H       0.336723      4.061530      1.585542
  H      -0.100694      1.931716      2.829308
  H      -2.956560      4.716722      2.713454
  H      -4.113476      5.669949      3.652566
  H      -5.978503      4.254351      2.781444
  H      -4.827832      3.269191      1.877165
  H      -4.217413      5.194712      0.451590
  H      -5.265538      6.277298      1.406515
  H      -7.144158      6.329982      2.294726
  H      -9.541798      6.576300      2.774983
  H     -11.860946      3.916593     -0.151322
  H     -11.179021      2.374556     -2.039520
  H      -8.752816      2.137569     -2.575453
  H      -7.176233      2.028095      8.228035
  H      -7.623015      2.416684      6.570781
  H      -5.815290      4.232081      8.245332
  H      -7.561958      4.350263      8.422397
  H      -5.918060      5.681561      6.466720
  H      -7.683637      5.679775      6.493315
  H      -9.361166      5.079211      5.764258
  H     -11.286228      4.034850      4.642717
  H      -9.663813      1.065907      1.534091
  H      -7.293610      0.386896      0.870802
  H      -5.409115      1.034062      2.291585
98
Coordinates from ORCA-job orca E -6374.146286458551
  N      -4.027138      0.308938      4.426311
  Mo     -4.805057      2.089397      4.997736
  N      -5.577898      2.041571      6.858598
  C      -4.676913      1.878842      7.997804
  C      -3.347030      1.321487      7.538394
  N      -2.967813      1.958673      6.258402
  C      -2.004811      1.125202      5.507463
  C      -2.736980     -0.089990      4.980312
  C      -2.497716      3.349353      6.427936
  C      -2.561260      4.064139      5.089495
  N      -3.780401      3.709976      4.367364
  H      -2.090531     -0.575858      4.228079
  H      -2.878880     -0.849749      5.780066
  H      -1.634522      1.722694      4.664557
  H      -1.146469      0.841903      6.143546
  H      -2.521185      5.155852      5.279487
  H      -1.659970      3.840420      4.478868
  H      -3.177611      3.836790      7.140402
  H      -1.476442      3.370517      6.852088
  H      -5.116339      1.188502      8.743877
  H      -4.521517      2.837326      8.534249
  H      -3.450015      0.246377      7.345083
  H      -2.556285      1.460292      8.298210
  C      -4.786926     -0.867008      4.011665
  C      -4.121714     -1.741035      2.915738
  C      -3.279188     -1.027507      1.878353
  O      -4.127466     -0.256242      0.984147
  C      -3.726002      0.877523      0.375659
  C      -4.562136      1.310764     -0.649320
  C      -4.305080      2.507349     -1.331593
  N      -3.274397      3.307363     -1.082981
  C      -2.443696      2.918998     -0.077592
  C      -1.357841      3.770894      0.249097
  C      -0.519101      3.449651      1.290790
  C      -0.768022      2.259014      2.007459
  N      -1.758677      1.426470      1.736085
  C      -2.604109      1.720712      0.709273
  C      -3.930498      4.639718      3.250915
  C      -5.009849      4.261661      2.257502
  C      -5.106016      5.211950      1.077546
  O      -6.184431      4.800709      0.204044
  C      -7.450799      4.996669      0.612737
  C      -7.847884      5.810658      1.664978
  C      -9.222121      5.962735      1.940923
  N     -10.205905      5.369417      1.284336
  C      -9.833538      4.530054      0.273034
  C     -10.836755      3.829839     -0.441008
  C     -10.471542      2.978264     -1.460800
  C      -9.099159      2.824328     -1.760428
  N      -8.124556      3.455706     -1.122454
  C      -8.474978      4.301820     -0.117700
  C      -6.866256      2.560017      7.318974
  C      -6.814882      4.050043      7.712372
  C      -6.779747      5.002303      6.500934
  O      -6.725778      4.276317      5.265046
  C      -7.897867      3.765592      4.782857
  C      -9.167787      4.267491      5.069169
  C     -10.265847      3.689453      4.413024
  N     -10.183460      2.745972      3.486019
  C      -8.938847      2.263930      3.182158
  C      -8.790695      1.368199      2.104606
  C      -7.497416      0.978868      1.764527
  C      -6.416503      1.339216      2.552249
  N      -6.509279      2.067356      3.714497
  C      -7.761425      2.672735      3.902058
  H      -4.951361     -1.531358      4.887703
  H      -5.779046     -0.549666      3.674926
  H      -3.440256     -2.469931      3.385824
  H      -4.908679     -2.336552      2.425027
  H      -2.751072     -1.766495      1.252617
  H      -2.545918     -0.355643      2.326646
  H      -5.435910      0.710690     -0.904847
  H      -4.998713      2.829626     -2.112709
  H      -1.229616      4.675442     -0.347859
  H       0.320329      4.089619      1.566143
  H      -0.114826      1.977361      2.839527
  H      -2.961106      4.717022      2.711916
  H      -4.129854      5.661176      3.644938
  H      -5.979694      4.234869      2.767029
  H      -4.818547      3.251377      1.872812
  H      -4.217229      5.165357      0.435966
  H      -5.252354      6.258994      1.392009
  H      -7.124294      6.338821      2.283093
  H      -9.517682      6.619194      2.766013
  H     -11.877387      3.986108     -0.152039
  H     -11.218546      2.428298     -2.036635
  H      -8.797685      2.149768     -2.568861
  H      -7.197304      1.987896      8.206753
  H      -7.623321      2.378036      6.544768
  H      -5.894380      4.202524      8.296783
  H      -7.649000      4.303260      8.382839
  H      -5.866068      5.611156      6.494985
  H      -7.629770      5.699044      6.480096
  H      -9.336117      5.079111      5.774870
  H     -11.272585      4.049057      4.651408
  H      -9.670823      1.068751      1.539066
  H      -7.305026      0.370251      0.879263
  H      -5.416492      1.008304      2.296179
98
Coordinates from ORCA-job orca E -6374.146959144541
  N      -4.014179      0.304692      4.437281
  Mo     -4.803401      2.082434      4.998880
  N      -5.580085      2.031052      6.858680
  C      -4.681566      1.887043      8.001461
  C      -3.347364      1.335155      7.548350
  N      -2.969296      1.966948      6.265098
  C      -1.999089      1.133703      5.522920
  C      -2.724418     -0.086403      4.997871
  C      -2.505086      3.360159      6.428816
  C      -2.566538      4.066799      5.086218
  N      -3.782102      3.704527      4.363582
  H      -2.073433     -0.572489      4.249687
  H      -2.866172     -0.843624      5.800016
  H      -1.625638      1.728591      4.679517
  H      -1.143963      0.855903      6.165602
  H      -2.529961      5.159690      5.270367
  H      -1.662583      3.842345      4.479653
  H      -3.189288      3.849499      7.135904
  H      -1.485392      3.387239      6.856376
  H      -5.116164      1.199667      8.753179
  H      -4.534092      2.851513      8.529223
  H      -3.444607      0.258447      7.360781
  H      -2.558559      1.482502      8.308510
  C      -4.764525     -0.876859      4.021385
  C      -4.087593     -1.747777      2.930664
  C      -3.253946     -1.026013      1.892292
  O      -4.113707     -0.263505      1.002103
  C      -3.717315      0.863123      0.377383
  C      -4.552637      1.276680     -0.656242
  C      -4.300602      2.465627     -1.353791
  N      -3.275625      3.275107     -1.112723
  C      -2.446841      2.906441     -0.098191
  C      -1.369458      3.771128      0.222687
  C      -0.536877      3.472731      1.276110
  C      -0.783043      2.292028      2.010063
  N      -1.764762      1.447312      1.743916
  C      -2.603414      1.718828      0.705283
  C      -3.937205      4.632169      3.246545
  C      -5.009983      4.244961      2.249855
  C      -5.105135      5.192536      1.067648
  O      -6.190575      4.788946      0.199672
  C      -7.453429      5.001052      0.610936
  C      -7.838219      5.819584      1.664278
  C      -9.209966      5.990283      1.941886
  N     -10.202537      5.411808      1.285225
  C      -9.842940      4.568401      0.272643
  C     -10.856645      3.884262     -0.442457
  C     -10.504117      3.028736     -1.463530
  C      -9.134072      2.853736     -1.762295
  N      -8.150186      3.470094     -1.123686
  C      -8.487961      4.320860     -0.118777
  C      -6.880049      2.528698      7.304966
  C      -6.861984      4.015622      7.711003
  C      -6.757605      4.973968      6.507560
  O      -6.707694      4.256610      5.267251
  C      -7.884070      3.759570      4.782192
  C      -9.148582      4.273327      5.069786
  C     -10.251337      3.704284      4.412872
  N     -10.176065      2.760865      3.485013
  C      -8.935736      2.267690      3.180842
  C      -8.793582      1.369525      2.104730
  C      -7.502948      0.967798      1.768050
  C      -6.419824      1.319700      2.556675
  N      -6.507857      2.051631      3.716684
  C      -7.755593      2.666392      3.901272
  H      -4.928620     -1.541398      4.897460
  H      -5.757467     -0.567456      3.679982
  H      -3.397517     -2.466048      3.404398
  H      -4.866534     -2.354959      2.441489
  H      -2.718120     -1.758838      1.265680
  H      -2.528062     -0.345730      2.340195
  H      -5.420821      0.666564     -0.906957
  H      -4.993218      2.772901     -2.141842
  H      -1.243382      4.667200     -0.387374
  H       0.295828      4.123007      1.547705
  H      -0.134952      2.029401      2.852298
  H      -2.966944      4.718721      2.710293
  H      -4.147218      5.652042      3.639346
  H      -5.981950      4.215557      2.755008
  H      -4.811251      3.234498      1.869532
  H      -4.219620      5.138031      0.422431
  H      -5.242381      6.241431      1.380322
  H      -7.106771      6.337988      2.281340
  H      -9.495520      6.650056      2.767825
  H     -11.894803      4.056274     -0.153467
  H     -11.258939      2.491799     -2.041768
  H      -8.843618      2.174849     -2.571160
  H      -7.216409      1.947306      8.185119
  H      -7.622845      2.339194      6.518588
  H      -5.975739      4.171463      8.345494
  H      -7.733318      4.256491      8.336802
  H      -5.815079      5.536986      6.525417
  H      -7.571587      5.713151      6.470204
  H      -9.307702      5.083354      5.779584
  H     -11.255477      4.071062      4.651361
  H      -9.675157      1.076915      1.538203
  H      -7.314290      0.356266      0.883965
  H      -5.422589      0.980663      2.300252
98
Coordinates from ORCA-job orca E -6374.147677822280
  N      -4.001008      0.300768      4.447947
  Mo     -4.801579      2.075749      4.998972
  N      -5.581335      2.020296      6.857995
  C      -4.684964      1.897326      8.004001
  C      -3.346393      1.351129      7.557291
  N      -2.970280      1.976645      6.270137
  C      -1.992990      1.143682      5.536619
  C      -2.711366     -0.081845      5.014761
  C      -2.512617      3.372587      6.427286
  C      -2.572013      4.070185      5.080139
  N      -3.784062      3.699309      4.357312
  H      -2.056088     -0.568523      4.270690
  H      -2.852502     -0.836009      5.819850
  H      -1.617219      1.735704      4.692205
  H      -1.140597      0.872178      6.185476
  H      -2.538996      5.164307      5.257818
  H      -1.665398      3.844780      4.477740
  H      -3.201787      3.863737      7.128463
  H      -1.494698      3.406398      6.858561
  H      -5.113997      1.213816      8.762520
  H      -4.545812      2.868490      8.521526
  H      -3.437350      0.272655      7.376639
  H      -2.559403      1.508292      8.317292
  C      -4.741696     -0.886743      4.031634
  C      -4.053123     -1.755211      2.946694
  C      -3.227949     -1.026123      1.907129
  O      -4.098745     -0.271529      1.021440
  C      -3.707240      0.848297      0.381672
  C      -4.542637      1.244218     -0.658631
  C      -4.296437      2.426930     -1.368982
  N      -3.276967      3.245241     -1.135001
  C      -2.448726      2.893815     -0.113749
  C      -1.378563      3.769674      0.200743
  C      -0.549808      3.490835      1.262556
  C      -0.792305      2.318562      2.011255
  N      -1.766458      1.463332      1.751009
  C      -2.600563      1.715310      0.703742
  C      -3.944783      4.624980      3.239794
  C      -5.011378      4.228854      2.240148
  C      -5.106019      5.173687      1.055664
  O      -6.198950      4.777551      0.194065
  C      -7.457735      5.006883      0.608289
  C      -7.829109      5.830450      1.662588
  C      -9.197849      6.021019      1.942229
  N     -10.199685      5.457829      1.286362
  C      -9.853967      4.609550      0.272988
  C     -10.878651      3.941330     -0.441697
  C     -10.539931      3.080630     -1.463182
  C      -9.172868      2.883741     -1.761941
  N      -8.179214      3.485212     -1.124136
  C      -8.503219      4.341612     -0.119686
  C      -6.893342      2.493978      7.290460
  C      -6.912200      3.977211      7.708369
  C      -6.739580      4.942244      6.517729
  O      -6.690885      4.236988      5.271021
  C      -7.870443      3.753942      4.780498
  C      -9.129693      4.279928      5.067440
  C     -10.236262      3.720616      4.408012
  N     -10.167172      2.776876      3.479828
  C      -8.931080      2.271824      3.177376
  C      -8.794372      1.370122      2.103729
  C      -7.506461      0.954723      1.772369
  C      -6.421681      1.299198      2.562129
  N      -6.505339      2.036784      3.718672
  C      -7.748879      2.660657      3.899329
  H      -4.905437     -1.550882      4.908187
  H      -5.735426     -0.585561      3.685420
  H      -3.355014     -2.462852      3.424502
  H      -4.824126     -2.373770      2.459240
  H      -2.685467     -1.753134      1.279314
  H      -2.508778     -0.338207      2.354550
  H      -5.405561      0.624808     -0.904576
  H      -4.988695      2.720724     -2.162510
  H      -1.255317      4.658493     -0.420410
  H       0.277423      4.149906      1.529625
  H      -0.147296      2.072205      2.860844
  H      -2.973949      4.720854      2.705947
  H      -4.165308      5.643155      3.631516
  H      -5.985162      4.197189      2.741463
  H      -4.805698      3.218138      1.864246
  H      -4.224182      5.111433      0.406356
  H      -5.234001      6.224374      1.366460
  H      -7.089321      6.338645      2.278104
  H      -9.472494      6.684671      2.768743
  H     -11.913813      4.129775     -0.152151
  H     -11.302887      2.556264     -2.042431
  H      -8.894255      2.199329     -2.570329
  H      -7.233244      1.902224      8.162764
  H      -7.621408      2.296065      6.492306
  H      -6.064835      4.137689      8.393017
  H      -7.819937      4.203742      8.285543
  H      -5.772294      5.460179      6.562216
  H      -7.517241      5.719851      6.467298
  H      -9.280141      5.088867      5.780484
  H     -11.237877      4.095491      4.644554
  H      -9.677004      1.084545      1.535416
  H      -7.321056      0.338992      0.890497
  H      -5.427070      0.952203      2.306071
98
Coordinates from ORCA-job orca E -6374.148378307573
  N      -3.986261      0.295713      4.460501
  Mo     -4.798382      2.068071      4.999544
  N      -5.581561      2.010040      6.857515
  C      -4.687705      1.910877      8.006862
  C      -3.344406      1.370220      7.567820
  N      -2.970039      1.987141      6.275740
  C      -1.985747      1.153327      5.552152
  C      -2.697146     -0.078035      5.034527
  C      -2.518710      3.385914      6.424145
  C      -2.576523      4.072894      5.071774
  N      -3.785305      3.692618      4.349614
  H      -2.037262     -0.566109      4.295427
  H      -2.838206     -0.828278      5.843246
  H      -1.607229      1.741479      4.706239
  H      -1.136378      0.888728      6.207677
  H      -2.547138      5.168373      5.241801
  H      -1.667502      3.845988      4.473435
  H      -3.212491      3.879745      7.119010
  H      -1.502450      3.426946      6.858672
  H      -5.111043      1.232625      8.773365
  H      -4.557666      2.889700      8.512117
  H      -3.428533      0.289688      7.396161
  H      -2.559552      1.539001      8.327466
  C      -4.717135     -0.897700      4.043788
  C      -4.016680     -1.763611      2.964940
  C      -3.199872     -1.027295      1.924304
  O      -4.081491     -0.282193      1.041749
  C      -3.696061      0.830944      0.386865
  C      -4.531714      1.207761     -0.660184
  C      -4.292310      2.383760     -1.384073
  N      -3.279202      3.211912     -1.157752
  C      -2.451386      2.879268     -0.129702
  C      -1.389563      3.767546      0.177903
  C      -0.564618      3.509866      1.248059
  C      -0.802215      2.346255      2.011817
  N      -1.767697      1.479362      1.757973
  C      -2.597426      1.710356      0.702330
  C      -3.952077      4.615582      3.231090
  C      -5.013298      4.211000      2.229342
  C      -5.107391      5.153423      1.042910
  O      -6.208649      4.766163      0.188326
  C      -7.462522      5.013703      0.606767
  C      -7.818623      5.841700      1.662940
  C      -9.183612      6.053505      1.945795
  N     -10.195658      5.507497      1.291057
  C      -9.865661      4.655027      0.275905
  C     -10.902341      4.004638     -0.438163
  C     -10.579238      3.139692     -1.461237
  C      -9.215980      2.920161     -1.761535
  N      -8.211677      3.504849     -1.124639
  C      -8.520096      4.365623     -0.119326
  C      -6.905907      2.457719      7.275181
  C      -6.964325      3.936502      7.703676
  C      -6.726688      4.908328      6.529621
  O      -6.677144      4.215930      5.276239
  C      -7.858826      3.746987      4.778214
  C      -9.113439      4.284241      5.063056
  C     -10.222418      3.735029      4.398674
  N     -10.157702      2.791980      3.469334
  C      -8.925278      2.275866      3.170109
  C      -8.792218      1.371612      2.098396
  C      -7.506657      0.942969      1.774015
  C      -6.421523      1.279585      2.566827
  N      -6.502618      2.022100      3.720241
  C      -7.742377      2.654558      3.895727
  H      -4.880843     -1.561237      4.920896
  H      -5.711447     -0.604718      3.692385
  H      -3.310794     -2.460464      3.447033
  H      -4.779387     -2.393565      2.479069
  H      -2.649819     -1.748479      1.296218
  H      -2.488255     -0.331034      2.371209
  H      -5.388737      0.578226     -0.900897
  H      -4.984353      2.662816     -2.183130
  H      -1.270057      4.648823     -0.454629
  H       0.256178      4.178821      1.510349
  H      -0.160274      2.117425      2.868667
  H      -2.981097      4.719988      2.698910
  H      -4.182320      5.632248      3.621411
  H      -5.988640      4.177443      2.727375
  H      -4.801569      3.200101      1.857327
  H      -4.229696      5.082624      0.389091
  H      -5.224852      6.205876      1.352088
  H      -7.069583      6.338057      2.276847
  H      -9.445863      6.720536      2.773602
  H     -11.933799      4.210152     -0.146973
  H     -11.351130      2.629037     -2.041135
  H      -8.950558      2.231427     -2.570696
  H      -7.248377      1.855167      8.139492
  H      -7.618337      2.250547      6.465083
  H      -6.159193      4.102271      8.436563
  H      -7.905795      4.147222      8.230228
  H      -5.739123      5.383455      6.601109
  H      -7.468820      5.720147      6.469330
  H      -9.256920      5.091333      5.779717
  H     -11.221939      4.117476      4.631972
  H      -9.674919      1.093499      1.526738
  H      -7.323224      0.323510      0.894322
  H      -5.429203      0.924490      2.312531
98
Coordinates from ORCA-job orca E -6374.149098081080
  N      -3.972363      0.291916      4.472635
  Mo     -4.795607      2.061595      4.999943
  N      -5.581716      2.000013      6.857040
  C      -4.690466      1.926966      8.009371
  C      -3.342406      1.391655      7.578351
  N      -2.969827      1.998675      6.280765
  C      -1.979166      1.163281      5.567290
  C      -2.684259     -0.073562      5.054270
  C      -2.523472      3.399878      6.419428
  C      -2.580480      4.075928      5.061870
  N      -3.787127      3.687393      4.341745
  H      -2.019982     -0.563752      4.320472
  H      -2.825980     -0.819451      5.866856
  H      -1.597704      1.747111      4.719699
  H      -1.132908      0.905417      6.229378
  H      -2.553463      5.172699      5.224002
  H      -1.669896      3.846617      4.466656
  H      -3.220541      3.897121      7.108545
  H      -1.508424      3.447401      6.856109
  H      -5.107741      1.255113      8.784883
  H      -4.570113      2.914116      8.500667
  H      -3.419738      0.309023      7.416821
  H      -2.559685      1.572820      8.337262
  C      -4.693881     -0.907251      4.056166
  C      -3.981903     -1.771450      2.983946
  C      -3.173115     -1.028955      1.941813
  O      -4.065119     -0.292180      1.063104
  C      -3.684959      0.813614      0.392848
  C      -4.521134      1.172043     -0.660097
  C      -4.288422      2.341373     -1.397065
  N      -3.281051      3.178512     -1.178988
  C      -2.453015      2.863625     -0.145367
  C      -1.398224      3.762935      0.154104
  C      -0.576127      3.525189      1.231083
  C      -0.809267      2.370528      2.009805
  N      -1.767315      1.493284      1.763523
  C      -2.593529      1.704398      0.700883
  C      -3.959964      4.607915      3.222360
  C      -5.016320      4.195613      2.218767
  C      -5.109778      5.135338      1.030118
  O      -6.219026      4.756352      0.182616
  C      -7.467817      5.021482      0.605249
  C      -7.808858      5.852909      1.663778
  C      -9.169828      6.085140      1.950102
  N     -10.191593      5.556354      1.296366
  C      -9.877080      4.700591      0.279026
  C     -10.925252      4.068114     -0.434473
  C     -10.617616      3.199710     -1.459461
  C      -9.258478      2.958148     -1.761543
  N      -8.243943      3.526014     -1.125557
  C      -8.536955      4.390500     -0.119050
  C      -6.918309      2.419564      7.260031
  C      -7.017546      3.893014      7.697882
  C      -6.717105      4.872334      6.544649
  O      -6.664781      4.196200      5.282736
  C      -7.847491      3.739687      4.776371
  C      -9.097930      4.287413      5.058115
  C     -10.208493      3.747662      4.388251
  N     -10.147040      2.805093      3.458103
  C      -8.917952      2.278569      3.162959
  C      -8.787763      1.371626      2.093381
  C      -7.504404      0.930411      1.776527
  C      -6.419461      1.260091      2.572581
  N      -6.498491      2.007892      3.722599
  C      -7.734885      2.648127      3.892671
  H      -4.857980     -1.569615      4.934179
  H      -5.688498     -0.622170      3.699293
  H      -3.268798     -2.457545      3.470698
  H      -4.736561     -2.412480      2.500039
  H      -2.616808     -1.744807      1.313009
  H      -2.468076     -0.325332      2.387956
  H      -5.372884      0.533233     -0.894879
  H      -4.980711      2.606523     -2.200694
  H      -1.282197      4.636583     -0.489566
  H       0.239291      4.202911      1.487566
  H      -0.169731      2.158308      2.872817
  H      -2.989032      4.720326      2.691529
  H      -4.199127      5.623108      3.611413
  H      -5.993066      4.160903      2.713774
  H      -4.799334      3.184331      1.850943
  H      -4.236292      5.056166      0.371837
  H      -5.216901      6.189530      1.337334
  H      -7.050924      6.337194      2.276323
  H      -9.419854      6.754768      2.779586
  H     -11.952771      4.290148     -0.141444
  H     -11.398080      2.702956     -2.040083
  H      -9.006131      2.265435     -2.571496
  H      -7.262090      1.805629      8.116226
  H      -7.614732      2.202834      6.438403
  H      -6.257273      4.063599      8.476477
  H      -7.989704      4.087394      8.171943
  H      -5.712439      5.304710      6.644524
  H      -7.423238      5.716073      6.478260
  H      -9.235206      5.093236      5.777472
  H     -11.206147      4.137489      4.617287
  H      -9.670155      1.100296      1.518114
  H      -7.322361      0.307116      0.899265
  H      -5.429195      0.897739      2.320392
98
Coordinates from ORCA-job orca E -6374.149789065042
  N      -3.956503      0.286390      4.486089
  Mo     -4.792923      2.052329      5.001239
  N      -5.583825      1.985983      6.856385
  C      -4.696558      1.939886      8.012344
  C      -3.342578      1.411452      7.590904
  N      -2.970835      2.009084      6.288327
  C      -1.972476      1.173346      5.585527
  C      -2.669539     -0.069554      5.076220
  C      -2.530986      3.413132      6.417518
  C      -2.586965      4.078463      5.054814
  N      -3.790536      3.680410      4.335676
  H      -1.999778     -0.561040      4.348209
  H      -2.811938     -0.811363      5.892381
  H      -1.588071      1.753518      4.736765
  H      -1.129546      0.923031      6.254614
  H      -2.563807      5.176452      5.209282
  H      -1.674138      3.848051      4.463291
  H      -3.232303      3.912904      7.100491
  H      -1.517551      3.468231      6.857034
  H      -5.108265      1.274529      8.796491
  H      -4.587538      2.935307      8.489540
  H      -3.411717      0.326778      7.439450
  H      -2.563214      1.605875      8.349899
  C      -4.667075     -0.919043      4.069161
  C      -3.941991     -1.779877      3.003528
  C      -3.141993     -1.029631      1.960457
  O      -4.045419     -0.302767      1.085489
  C      -3.673283      0.796463      0.400023
  C      -4.511817      1.135249     -0.657435
  C      -4.288425      2.297951     -1.407829
  N      -3.287656      3.145285     -1.199623
  C      -2.457749      2.849517     -0.161700
  C      -1.411229      3.761459      0.128267
  C      -0.590548      3.545138      1.210863
  C      -0.816381      2.399147      2.004544
  N      -1.765699      1.510070      1.767075
  C      -2.590062      1.700063      0.698928
  C      -3.970102      4.598440      3.215507
  C      -5.021655      4.178358      2.210116
  C      -5.113875      5.115198      1.019101
  O      -6.230324      4.744310      0.177898
  C      -7.473898      5.028681      0.603188
  C      -7.799970      5.865068      1.662633
  C      -9.156601      6.119785      1.950584
  N     -10.187705      5.608775      1.297432
  C      -9.888639      4.748233      0.279394
  C     -10.947976      4.133834     -0.433480
  C     -10.655863      3.260386     -1.458801
  C      -9.301165      2.995410     -1.761431
  N      -8.276678      3.546057     -1.126200
  C      -8.554271      4.415465     -0.119775
  C      -6.931190      2.381083      7.243134
  C      -7.064953      3.849279      7.687971
  C      -6.699159      4.833739      6.558602
  O      -6.647923      4.174062      5.287702
  C      -7.832834      3.732479      4.773600
  C      -9.077689      4.293870      5.051813
  C     -10.191149      3.765766      4.377174
  N     -10.135433      2.822874      3.446913
  C      -8.911076      2.283245      3.155583
  C      -8.786385      1.373035      2.088310
  C      -7.506557      0.916518      1.778268
  C      -6.420711      1.237162      2.576782
  N      -6.495199      1.990875      3.723198
  C      -7.726802      2.641442      3.888740
  H      -4.831215     -1.580664      4.947788
  H      -5.662056     -0.642838      3.706307
  H      -3.221214     -2.454522      3.494849
  H      -4.687424     -2.432482      2.520842
  H      -2.578285     -1.739042      1.330863
  H      -2.444777     -0.317718      2.406199
  H      -5.357815      0.486219     -0.884774
  H      -4.982482      2.548241     -2.214749
  H      -1.300916      4.627615     -0.526448
  H       0.218419      4.233014      1.460644
  H      -0.178091      2.204649      2.872694
  H      -2.999428      4.719248      2.685894
  H      -4.218521      5.611928      3.603446
  H      -5.999960      4.142719      2.701793
  H      -4.799826      3.166583      1.846662
  H      -4.244302      5.027632      0.356914
  H      -5.210848      6.171064      1.324184
  H      -7.033403      6.336916      2.274073
  H      -9.394451      6.793198      2.780570
  H     -11.971297      4.373585     -0.139689
  H     -11.444734      2.777219     -2.039702
  H      -9.061780      2.297802     -2.571114
  H      -7.278354      1.757238      8.091207
  H      -7.611592      2.157394      6.409832
  H      -6.351025      4.020841      8.509281
  H      -8.063778      4.032669      8.107380
  H      -5.677979      5.217494      6.686173
  H      -7.364327      5.710701      6.490026
  H      -9.206705      5.099521      5.772844
  H     -11.185837      4.165649      4.601720
  H      -9.669265      1.110194      1.510006
  H      -7.327883      0.288810      0.903446
  H      -5.433439      0.865569      2.326112
98
Coordinates from ORCA-job orca E -6374.150514838323
  N      -3.942202      0.282975      4.499654
  Mo     -4.792171      2.044074      5.005001
  N      -5.585296      1.967752      6.859497
  C      -4.700040      1.947380      8.017231
  C      -3.340201      1.428672      7.602828
  N      -2.971765      2.019903      6.296188
  C      -1.966259      1.186304      5.600744
  C      -2.654989     -0.062754      5.095433
  C      -2.539916      3.426904      6.417600
  C      -2.595929      4.082660      5.050473
  N      -3.796709      3.675183      4.332633
  H      -1.980679     -0.554511      4.371702
  H      -2.796017     -0.801208      5.914822
  H      -1.581880      1.764492      4.750658
  H      -1.124741      0.943972      6.274428
  H      -2.577197      5.181640      5.198353
  H      -1.681051      3.852223      4.461891
  H      -3.245983      3.927731      7.095069
  H      -1.528107      3.490404      6.859750
  H      -5.104320      1.286713      8.809293
  H      -4.603014      2.949895      8.482184
  H      -3.399699      0.342306      7.459702
  H      -2.563808      1.636112      8.361331
  C      -4.642025     -0.929323      4.084480
  C      -3.905462     -1.787516      3.024828
  C      -3.114254     -1.031345      1.979268
  O      -4.028513     -0.314571      1.107155
  C      -3.665250      0.778142      0.406191
  C      -4.507140      1.096648     -0.654850
  C      -4.293989      2.251869     -1.419785
  N      -3.299438      3.109115     -1.223700
  C      -2.466583      2.833221     -0.182610
  C      -1.427597      3.757487      0.095128
  C      -0.606759      3.563474      1.181806
  C      -0.824381      2.427215      1.991745
  N      -1.765669      1.526717      1.765670
  C      -2.589871      1.694632      0.693566
  C      -3.984479      4.592609      3.213339
  C      -5.030894      4.165570      2.205351
  C      -5.121460      5.100388      1.012505
  O      -6.242722      4.735812      0.175321
  C      -7.482527      5.038675      0.598502
  C      -7.798682      5.878950      1.657992
  C      -9.152011      6.155467      1.941528
  N     -10.188977      5.662248      1.284177
  C      -9.900485      4.797366      0.266749
  C     -10.967190      4.200482     -0.449888
  C     -10.685828      3.321332     -1.473364
  C      -9.334526      3.033279     -1.770398
  N      -8.303439      3.567915     -1.132261
  C      -8.570365      4.442598     -0.127687
  C      -6.941603      2.336982      7.236184
  C      -7.107272      3.799896      7.686529
  C      -6.679805      4.788579      6.583680
  O      -6.627016      4.150370      5.301171
  C      -7.813046      3.726931      4.774680
  C      -9.050920      4.307663      5.042849
  C     -10.166893      3.792666      4.362098
  N     -10.117363      2.845846      3.435430
  C      -8.898786      2.289138      3.152260
  C      -8.779918      1.372511      2.089948
  C      -7.504219      0.897729      1.789900
  C      -6.418124      1.209815      2.591383
  N      -6.488028      1.972213      3.732238
  C      -7.714008      2.635105      3.890486
  H      -4.804622     -1.589451      4.964566
  H      -5.637972     -0.662505      3.717170
  H      -3.177526     -2.451154      3.520450
  H      -4.642427     -2.451015      2.544022
  H      -2.544537     -1.735725      1.349379
  H      -2.423828     -0.311513      2.423265
  H      -5.347567      0.437459     -0.873152
  H      -4.991016      2.486916     -2.228766
  H      -1.323790      4.615364     -0.571467
  H       0.196328      4.261332      1.422711
  H      -0.185980      2.250846      2.863826
  H      -3.014257      4.723518      2.685121
  H      -4.242998      5.603450      3.601807
  H      -6.010888      4.128265      2.693138
  H      -4.804006      3.153584      1.845590
  H      -4.254611      5.006319      0.347842
  H      -5.210574      6.157533      1.315665
  H      -7.026697      6.338252      2.272062
  H      -9.381599      6.832312      2.771032
  H     -11.987394      4.457651     -0.159972
  H     -11.480064      2.850811     -2.057263
  H      -9.104074      2.329684     -2.577486
  H      -7.286383      1.703143      8.078229
  H      -7.610418      2.106009      6.395536
  H      -6.440728      3.971457      8.546588
  H      -8.129278      3.974385      8.049780
  H      -5.645621      5.124709      6.739441
  H      -7.305532      5.694931      6.518160
  H      -9.170176      5.116997      5.761350
  H     -11.157752      4.206838      4.577454
  H      -9.662775      1.118212      1.507738
  H      -7.328900      0.263120      0.919482
  H      -5.434141      0.827630      2.344115
98
Coordinates from ORCA-job orca E -6374.151181315144
  N      -3.925501      0.278082      4.516956
  Mo     -4.788966      2.034605      5.010637
  N      -5.585456      1.949897      6.863455
  C      -4.703109      1.954567      8.023415
  C      -3.336802      1.446856      7.616851
  N      -2.971282      2.031438      6.306082
  C      -1.958084      1.200086      5.618617
  C      -2.637580     -0.056027      5.118212
  C      -2.549104      3.442004      6.418374
  C      -2.603907      4.086231      5.045791
  N      -3.800512      3.666942      4.328096
  H      -1.958387     -0.547830      4.398977
  H      -2.776486     -0.790730      5.941254
  H      -1.574135      1.776042      4.766876
  H      -1.117821      0.966882      6.297001
  H      -2.591216      5.186314      5.185607
  H      -1.685978      3.856001      4.461708
  H      -3.261828      3.944032      7.088278
  H      -1.539787      3.515790      6.864643
  H      -5.100678      1.298333      8.822632
  H      -4.618516      2.963415      8.477095
  H      -3.385467      0.358886      7.482355
  H      -2.564122      1.668375      8.375047
  C      -4.613385     -0.941084      4.102089
  C      -3.864125     -1.794910      3.048105
  C      -3.081921     -1.031019      2.001280
  O      -4.007463     -0.325966      1.131404
  C      -3.655789      0.760909      0.415162
  C      -4.504087      1.059861     -0.646417
  C      -4.303003      2.207504     -1.426021
  N      -3.313844      3.073973     -1.244899
  C      -2.475519      2.817702     -0.203074
  C      -1.443736      3.754087      0.060266
  C      -0.620168      3.582017      1.148627
  C      -0.827067      2.454937      1.974170
  N      -1.760608      1.543186      1.761421
  C      -2.587667      1.689943      0.688279
  C      -3.996912      4.582223      3.208543
  C      -5.038656      4.148356      2.198321
  C      -5.126643      5.082594      1.004702
  O      -6.252782      4.726137      0.170899
  C      -7.487755      5.050822      0.591477
  C      -7.791735      5.897389      1.649647
  C      -9.140604      6.199183      1.928585
  N     -10.184446      5.724987      1.268346
  C      -9.908859      4.853639      0.252805
  C     -10.984208      4.274694     -0.465460
  C     -10.716119      3.387195     -1.485230
  C      -9.369347      3.074464     -1.778276
  N      -8.330403      3.592528     -1.139187
  C      -8.584338      4.473693     -0.137104
  C      -6.950151      2.293213      7.229048
  C      -7.147707      3.751155      7.681936
  C      -6.663671      4.743119      6.606864
  O      -6.615495      4.122852      5.313869
  C      -7.802667      3.716515      4.776847
  C      -9.034029      4.313835      5.037112
  C     -10.152002      3.811308      4.350370
  N     -10.108317      2.861861      3.426036
  C      -8.895227      2.290542      3.148791
  C      -8.782824      1.368127      2.090762
  C      -7.511435      0.877460      1.797693
  C      -6.423863      1.183102      2.599539
  N      -6.487763      1.953664      3.735234
  C      -7.709485      2.625627      3.890591
  H      -4.774917     -1.600386      4.982986
  H      -5.610119     -0.683817      3.729784
  H      -3.128916     -2.447305      3.547779
  H      -4.591480     -2.469437      2.568058
  H      -2.504665     -1.729077      1.371210
  H      -2.399765     -0.302586      2.444579
  H      -5.339516      0.390949     -0.853526
  H      -5.004952      2.427508     -2.235018
  H      -1.348341      4.604019     -0.617702
  H       0.177259      4.289804      1.379118
  H      -0.186113      2.295999      2.847878
  H      -3.027372      4.722252      2.681223
  H      -4.265020      5.590809      3.596659
  H      -6.020415      4.109017      2.682168
  H      -4.807162      3.136549      1.840739
  H      -4.262395      4.981654      0.337912
  H      -5.206978      6.140696      1.307064
  H      -7.013354      6.343522      2.265315
  H      -9.360076      6.881503      2.756333
  H     -12.000308      4.550922     -0.178701
  H     -11.517021      2.927778     -2.068863
  H      -9.149554      2.364176     -2.582413
  H      -7.291556      1.650507      8.066156
  H      -7.607330      2.053866      6.381749
  H      -6.529174      3.924000      8.576577
  H      -8.189208      3.916350      7.989525
  H      -5.618441      5.031391      6.784346
  H      -7.250571      5.676029      6.549366
  H      -9.144358      5.124968      5.754783
  H     -11.139167      4.238210      4.557680
  H      -9.666140      1.121525      1.505902
  H      -7.340618      0.236396      0.931212
  H      -5.442995      0.792681      2.352484
98
Coordinates from ORCA-job orca E -6374.151814029906
  N      -3.911095      0.277037      4.530844
  Mo     -4.787421      2.028262      5.015820
  N      -5.584681      1.931286      6.868285
  C      -4.703830      1.958341      8.029010
  C      -3.331333      1.463526      7.627622
  N      -2.970430      2.044024      6.313528
  C      -1.950789      1.216598      5.630420
  C      -2.621581     -0.046056      5.134879
  C      -2.558181      3.457915      6.418439
  C      -2.613061      4.092659      5.041518
  N      -3.806295      3.662749      4.324656
  H      -1.938788     -0.537285      4.418606
  H      -2.756951     -0.777732      5.961151
  H      -1.570036      1.791672      4.776735
  H      -1.109804      0.992214      6.310848
  H      -2.606281      5.193564      5.174808
  H      -1.692651      3.863635      4.460654
  H      -3.277141      3.959759      7.082094
  H      -1.551106      3.541803      6.868070
  H      -5.093630      1.304439      8.834038
  H      -4.632199      2.972232      8.473958
  H      -3.368500      0.374353      7.499919
  H      -2.561942      1.698107      8.385148
  C      -4.589414     -0.948922      4.120242
  C      -3.831775     -1.801349      3.071172
  C      -3.057722     -1.033829      2.020596
  O      -3.992930     -0.338363      1.153017
  C      -3.651193      0.742985      0.423090
  C      -4.504946      1.024395     -0.638880
  C      -4.314372      2.164840     -1.431727
  N      -3.329963      3.039237     -1.264134
  C      -2.486574      2.800207     -0.222284
  C      -1.459978      3.746126      0.027006
  C      -0.632946      3.592782      1.115516
  C      -0.830662      2.474523      1.955297
  N      -1.758565      1.554136      1.755524
  C      -2.588999      1.682475      0.682550
  C      -4.011903      4.577526      3.206327
  C      -5.049887      4.137900      2.194249
  C      -5.135517      5.070836      0.999238
  O      -6.264772      4.719408      0.167842
  C      -7.496053      5.063109      0.583360
  C      -7.792011      5.913873      1.640525
  C      -9.137333      6.237150      1.912440
  N     -10.185135      5.780322      1.246449
  C      -9.918251      4.904909      0.232054
  C     -10.998877      4.344156     -0.492434
  C     -10.739920      3.450985     -1.509506
  C      -9.396863      3.115020     -1.794263
  N      -8.353017      3.616753     -1.150272
  C      -8.598045      4.502916     -0.150434
  C      -6.956505      2.246949      7.228642
  C      -7.183955      3.699736      7.683454
  C      -6.650617      4.696275      6.638402
  O      -6.600425      4.100739      5.332564
  C      -7.786658      3.709280      4.782455
  C      -9.011941      4.323644      5.030542
  C     -10.130300      3.832887      4.336215
  N     -10.090762      2.878459      3.416758
  C      -8.882811      2.292016      3.149445
  C      -8.774833      1.362145      2.097445
  C      -7.506987      0.857024      1.813613
  C      -6.419496      1.158204      2.617122
  N      -6.479820      1.937410      3.747033
  C      -7.697550      2.618197      3.896306
  H      -4.748444     -1.605473      5.003649
  H      -5.587407     -0.700452      3.745098
  H      -3.090643     -2.444256      3.574275
  H      -4.552325     -2.484953      2.593731
  H      -2.476559     -1.728380      1.390298
  H      -2.380685     -0.298780      2.461045
  H      -5.336034      0.347156     -0.835788
  H      -5.020747      2.371686     -2.240395
  H      -1.371806      4.588619     -0.661177
  H       0.160396      4.308424      1.335596
  H      -0.187154      2.330525      2.829862
  H      -3.043374      4.726700      2.679508
  H      -4.288841      5.583400      3.595431
  H      -6.033201      4.097537      2.674717
  H      -4.815119      3.125763      1.839555
  H      -4.273002      4.964525      0.331114
  H      -5.209393      6.129841      1.299973
  H      -7.009948      6.347534      2.260390
  H      -9.350054      6.922804      2.739203
  H     -12.011764      4.638087     -0.211943
  H     -11.544841      3.004104     -2.097092
  H      -9.184288      2.399007     -2.595223
  H      -7.289619      1.594951      8.062177
  H      -7.606020      1.999064      6.377850
  H      -6.612715      3.873636      8.608662
  H      -8.241219      3.856434      7.936770
  H      -5.598510      4.941804      6.839083
  H      -7.204251      5.650104      6.592842
  H      -9.114297      5.139397      5.744073
  H     -11.113785      4.273427      4.532102
  H      -9.657640      1.120666      1.509494
  H      -7.338903      0.208707      0.952132
  H      -5.441083      0.760309      2.372861
98
Coordinates from ORCA-job orca E -6374.152355125941
  N      -3.895489      0.274989      4.547565
  Mo     -4.782804      2.022569      5.020964
  N      -5.583105      1.917484      6.871878
  C      -4.705353      1.968664      8.034094
  C      -3.326523      1.485004      7.640606
  N      -2.967846      2.057447      6.322147
  C      -1.942486      1.230925      5.646017
  C      -2.605691     -0.038000      5.156476
  C      -2.563501      3.474108      6.416493
  C      -2.617118      4.096885      5.034084
  N      -3.806663      3.655913      4.317712
  H      -1.918896     -0.530306      4.444711
  H      -2.739570     -0.765373      5.986725
  H      -1.563086      1.803133      4.789870
  H      -1.101804      1.015232      6.329611
  H      -2.615803      5.198752      5.158830
  H      -1.694024      3.867524      4.457523
  H      -3.288205      3.977610      7.072667
  H      -1.558843      3.567778      6.869680
  H      -5.089086      1.319274      8.845714
  H      -4.646539      2.988239      8.468294
  H      -3.352545      0.394477      7.522549
  H      -2.561325      1.734248      8.397612
  C      -4.564678     -0.956725      4.139371
  C      -3.797968     -1.806981      3.095256
  C      -3.031525     -1.034992      2.041988
  O      -3.975867     -0.351195      1.174721
  C      -3.645448      0.724790      0.431159
  C      -4.505317      0.988100     -0.630439
  C      -4.325800      2.120838     -1.436988
  N      -3.346480      3.003388     -1.283691
  C      -2.497752      2.782513     -0.242129
  C      -1.477081      3.738440     -0.007241
  C      -0.646302      3.604387      1.081004
  C      -0.833615      2.494788      1.934620
  N      -1.755214      1.565320      1.748086
  C      -2.589615      1.675060      0.676087
  C      -4.019861      4.568325      3.198753
  C      -5.055583      4.124289      2.185830
  C      -5.138611      5.057414      0.990417
  O      -6.273002      4.714569      0.162532
  C      -7.498807      5.078477      0.576616
  C      -7.782321      5.932839      1.634383
  C      -9.122578      6.277196      1.905226
  N     -10.176887      5.838366      1.237576
  C      -9.922935      4.960363      0.222074
  C     -11.011623      4.418141     -0.504250
  C     -10.766216      3.520674     -1.520768
  C      -9.428408      3.163202     -1.804422
  N      -8.377142      3.647949     -1.159423
  C      -8.608992      4.537102     -0.159205
  C      -6.962715      2.202642      7.225017
  C      -7.226976      3.650131      7.678136
  C      -6.650457      4.652821      6.664567
  O      -6.597517      4.079434      5.347474
  C      -7.781376      3.698875      4.785042
  C      -9.003085      4.324193      5.022370
  C     -10.119760      3.840850      4.320502
  N     -10.080933      2.882255      3.405219
  C      -8.875914      2.285984      3.147045
  C      -8.769204      1.349361      2.100746
  C      -7.503044      0.835761      1.824635
  C      -6.416236      1.137093      2.628858
  N      -6.475615      1.923753      3.753637
  C      -7.692233      2.608059      3.898386
  H      -4.722794     -1.610925      5.024632
  H      -5.563208     -0.716010      3.760387
  H      -3.051208     -2.440478      3.601880
  H      -4.510988     -2.499609      2.619558
  H      -2.444448     -1.725284      1.412575
  H      -2.361306     -0.292429      2.480515
  H      -5.331760      0.302326     -0.816633
  H      -5.036609      2.313746     -2.245261
  H      -1.396867      4.573406     -0.705533
  H       0.142294      4.328384      1.290524
  H      -0.186903      2.365816      2.809305
  H      -3.052323      4.723254      2.671648
  H      -4.302987      5.572737      3.587364
  H      -6.040087      4.083381      2.663768
  H      -4.819110      3.112091      1.832042
  H      -4.278790      4.944049      0.320044
  H      -5.203197      6.117118      1.290629
  H      -6.994332      6.353016      2.256017
  H      -9.325043      6.965267      2.732569
  H     -12.019875      4.728518     -0.224800
  H     -11.577793      3.085525     -2.107865
  H      -9.226245      2.443723     -2.604921
  H      -7.285688      1.541932      8.055851
  H      -7.602536      1.942102      6.370644
  H      -6.707276      3.829109      8.632276
  H      -8.297987      3.793995      7.874400
  H      -5.594276      4.859562      6.885709
  H      -7.175364      5.623344      6.632369
  H      -9.101214      5.142964      5.733052
  H     -11.101124      4.290569      4.505872
  H      -9.650728      1.109306      1.510178
  H      -7.335819      0.181198      0.967809
  H      -5.438693      0.735957      2.386271
98
Coordinates from ORCA-job orca E -6374.152938887274
  N      -3.888919      0.282653      4.561032
  Mo     -4.781179      2.027801      5.030857
  N      -5.579366      1.906010      6.881865
  C      -4.701304      1.975815      8.043168
  C      -3.317510      1.504012      7.652746
  N      -2.963524      2.072325      6.331096
  C      -1.937586      1.246623      5.654601
  C      -2.598201     -0.025439      5.170435
  C      -2.563230      3.490442      6.417797
  C      -2.618833      4.105865      5.032048
  N      -3.808406      3.659526      4.318028
  H      -1.910977     -0.519685      4.460299
  H      -2.730601     -0.749694      6.003557
  H      -1.563285      1.817752      4.795685
  H      -1.093859      1.036210      6.336136
  H      -2.619745      5.208168      5.151577
  H      -1.695614      3.875640      4.455795
  H      -3.290195      3.994824      7.070813
  H      -1.559392      3.590637      6.871571
  H      -5.078036      1.328389      8.859614
  H      -4.653470      2.998878      8.471161
  H      -3.332984      0.412722      7.541113
  H      -2.554883      1.765074      8.408279
  C      -4.554179     -0.952830      4.157036
  C      -3.785270     -1.805779      3.115847
  C      -3.021337     -1.036807      2.057339
  O      -3.969354     -0.358520      1.188879
  C      -3.644055      0.710408      0.431644
  C      -4.512075      0.964697     -0.625415
  C      -4.338607      2.090394     -1.443423
  N      -3.357088      2.973038     -1.306469
  C      -2.499712      2.760701     -0.270333
  C      -1.475007      3.716615     -0.053310
  C      -0.635135      3.591295      1.028966
  C      -0.816869      2.489944      1.894442
  N      -1.741909      1.560808      1.724174
  C      -2.585791      1.662198      0.658781
  C      -4.030055      4.573911      3.201831
  C      -5.065032      4.129116      2.187602
  C      -5.144150      5.065639      0.993490
  O      -6.278678      4.728467      0.163422
  C      -7.502522      5.106630      0.569440
  C      -7.783655      5.963756      1.625594
  C      -9.122225      6.318713      1.890595
  N     -10.177222      5.888226      1.218968
  C      -9.925831      5.008980      0.203961
  C     -11.015807      4.474144     -0.525266
  C     -10.773879      3.572141     -1.538263
  C      -9.437737      3.204947     -1.817850
  N      -8.384961      3.683405     -1.171026
  C      -8.613793      4.575250     -0.172281
  C      -6.964112      2.157945      7.237612
  C      -7.266088      3.602221      7.683061
  C      -6.662560      4.612993      6.696508
  O      -6.601656      4.062623      5.366847
  C      -7.779711      3.683390      4.791313
  C      -8.999716      4.318831      5.010607
  C     -10.112964      3.835799      4.304295
  N     -10.072045      2.867077      3.399961
  C      -8.868010      2.264554      3.153596
  C      -8.761026      1.317864      2.116073
  C      -7.494317      0.803544      1.844599
  C      -6.407668      1.114500      2.644857
  N      -6.467044      1.908611      3.764380
  C      -7.686011      2.590462      3.907337
  H      -4.711804     -1.603012      5.045214
  H      -5.553254     -0.715958      3.776724
  H      -3.036856     -2.434879      3.625429
  H      -4.495940     -2.502681      2.642936
  H      -2.434277     -1.728374      1.429516
  H      -2.351909     -0.291448      2.492542
  H      -5.339940      0.277582     -0.799042
  H      -5.055903      2.277197     -2.247487
  H      -1.399378      4.545101     -0.759817
  H       0.156457      4.315801      1.224937
  H      -0.162825      2.367388      2.764886
  H      -3.063713      4.734393      2.674094
  H      -4.317495      5.576058      3.593018
  H      -6.050593      4.086821      2.662951
  H      -4.828335      3.117418      1.832018
  H      -4.284243      4.949197      0.323728
  H      -5.203684      6.125184      1.295044
  H      -6.995416      6.377174      2.251535
  H      -9.322517      7.008796      2.716799
  H     -12.022655      4.792249     -0.249578
  H     -11.587137      3.139154     -2.123936
  H      -9.237316      2.481422     -2.615051
  H      -7.266672      1.490534      8.070733
  H      -7.600241      1.879309      6.386569
  H      -6.796335      3.792768      8.660526
  H      -8.347855      3.730108      7.823007
  H      -5.605995      4.795168      6.934917
  H      -7.174627      5.590154      6.678889
  H      -9.094603      5.147996      5.709380
  H     -11.092812      4.294863      4.473913
  H      -9.641614      1.072535      1.525502
  H      -7.326621      0.142092      0.993457
  H      -5.429221      0.717531      2.401427
98
Coordinates from ORCA-job orca E -6374.153313365433
  N      -3.874848      0.281747      4.575871
  Mo     -4.774944      2.024321      5.035970
  N      -5.574724      1.893675      6.885047
  C      -4.699648      1.983681      8.047607
  C      -3.308874      1.525235      7.664258
  N      -2.957184      2.085653      6.338163
  C      -1.928628      1.259660      5.665267
  C      -2.583691     -0.017944      5.188456
  C      -2.563467      3.506391      6.412696
  C      -2.621875      4.111329      5.022050
  N      -3.808976      3.653782      4.309481
  H      -1.893919     -0.514552      4.482348
  H      -2.714858     -0.737244      6.026105
  H      -1.558584      1.827593      4.802525
  H      -1.082479      1.057620      6.346420
  H      -2.629351      5.214309      5.133884
  H      -1.697205      3.882398      4.447671
  H      -3.293248      4.012198      7.061522
  H      -1.560608      3.615927      6.866605
  H      -5.071495      1.339055      8.868480
  H      -4.665181      3.010598      8.468317
  H      -3.311028      0.432900      7.562574
  H      -2.551244      1.802113      8.419129
  C      -4.534607     -0.958060      4.176794
  C      -3.761451     -1.810353      3.138526
  C      -3.001177     -1.038718      2.078726
  O      -3.954855     -0.368832      1.209504
  C      -3.642361      0.699052      0.444841
  C      -4.521825      0.944554     -0.604783
  C      -4.360363      2.066438     -1.430575
  N      -3.381168      2.953756     -1.307621
  C      -2.512675      2.750309     -0.279034
  C      -1.488685      3.710354     -0.077430
  C      -0.635913      3.592007      0.995560
  C      -0.803140      2.492676      1.866441
  N      -1.727054      1.560012      1.709987
  C      -2.584996      1.655520      0.655418
  C      -4.037077      4.564297      3.191267
  C      -5.073099      4.117714      2.178364
  C      -5.145509      5.054647      0.983624
  O      -6.282495      4.726192      0.153434
  C      -7.501135      5.122088      0.557473
  C      -7.770454      5.983313      1.613440
  C      -9.103955      6.355847      1.879014
  N     -10.164921      5.939076      1.208352
  C      -9.925316      5.058190      0.191831
  C     -11.022571      4.539234     -0.537455
  C     -10.793422      3.636653     -1.552556
  C      -9.462232      3.253490     -1.835271
  N      -8.402623      3.715763     -1.187722
  C      -8.619334      4.607683     -0.186017
  C      -6.964955      2.115781      7.237050
  C      -7.303357      3.555750      7.674817
  C      -6.673541      4.578046      6.720383
  O      -6.608095      4.051682      5.379193
  C      -7.782363      3.674147      4.794785
  C      -9.002745      4.312492      5.004477
  C     -10.112317      3.830997      4.292291
  N     -10.068644      2.856203      3.394177
  C      -8.864635      2.250385      3.156891
  C      -8.756070      1.294771      2.127109
  C      -7.488457      0.780573      1.860249
  C      -6.402214      1.100924      2.657290
  N      -6.463155      1.902148      3.771757
  C      -7.684411      2.581248      3.911681
  H      -4.690836     -1.604232      5.067968
  H      -5.534286     -0.726435      3.794187
  H      -3.010543     -2.434886      3.650056
  H      -4.468011     -2.511604      2.665883
  H      -2.410286     -1.727412      1.451629
  H      -2.336236     -0.289042      2.513217
  H      -5.348945      0.253635     -0.766633
  H      -5.086109      2.246590     -2.228599
  H      -1.423968      4.536574     -0.787681
  H       0.154740      4.320500      1.180229
  H      -0.139185      2.375343      2.729953
  H      -3.071792      4.724568      2.661507
  H      -4.325498      5.566918      3.580325
  H      -6.059899      4.078080      2.652042
  H      -4.839682      3.104922      1.823297
  H      -4.286210      4.929948      0.314277
  H      -5.195427      6.114652      1.284646
  H      -6.977077      6.385274      2.240395
  H      -9.294752      7.047822      2.705947
  H     -12.024991      4.870030     -0.260629
  H     -11.613696      3.214688     -2.136203
  H      -9.270384      2.530715     -2.635202
  H      -7.253300      1.441977      8.069827
  H      -7.593727      1.823191      6.384781
  H      -6.886445      3.753513      8.674658
  H      -8.392933      3.667651      7.757367
  H      -5.616803      4.736600      6.972669
  H      -7.172903      5.561316      6.720988
  H      -9.097493      5.145825      5.698517
  H     -11.091777      4.294371      4.452068
  H      -9.635177      1.043251      1.536746
  H      -7.319778      0.112661      1.014331
  H      -5.422450      0.706587      2.414179
98
Coordinates from ORCA-job orca E -6374.153697831211
  N      -3.872339      0.295150      4.580319
  Mo     -4.771190      2.036889      5.046226
  N      -5.562925      1.883618      6.894959
  C      -4.684813      1.982798      8.055182
  C      -3.288942      1.540006      7.670508
  N      -2.944844      2.100124      6.342232
  C      -1.922287      1.274973      5.659559
  C      -2.579106     -0.003629      5.189051
  C      -2.553319      3.521793      6.410586
  C      -2.622423      4.125521      5.019464
  N      -3.813571      3.665707      4.312154
  H      -1.891866     -0.503229      4.482670
  H      -2.708404     -0.720042      6.029525
  H      -1.564269      1.843149      4.792071
  H      -1.066960      1.076322      6.330369
  H      -2.632598      5.228343      5.130894
  H      -1.701023      3.899017      4.439042
  H      -3.279635      4.026550      7.064201
  H      -1.548002      3.635589      6.858124
  H      -5.050141      1.335539      8.876768
  H      -4.660944      3.010166      8.476676
  H      -3.276719      0.447465      7.573076
  H      -2.533977      1.829141      8.423389
  C      -4.536001     -0.946381      4.191605
  C      -3.773760     -1.806287      3.150290
  C      -3.010429     -1.045543      2.083528
  O      -3.960162     -0.372580      1.211741
  C      -3.652496      0.700420      0.452029
  C      -4.548634      0.964096     -0.578812
  C      -4.392395      2.093025     -1.396178
  N      -3.403715      2.971008     -1.281882
  C      -2.516768      2.748354     -0.273443
  C      -1.477052      3.693861     -0.083988
  C      -0.597957      3.549772      0.964348
  C      -0.755179      2.439501      1.823241
  N      -1.695323      1.521453      1.677889
  C      -2.580676      1.643295      0.649181
  C      -4.047077      4.575444      3.194433
  C      -5.091964      4.133765      2.187551
  C      -5.156478      5.074834      0.994119
  O      -6.285683      4.748514      0.152393
  C      -7.507758      5.147217      0.542042
  C      -7.787114      6.008651      1.595103
  C      -9.123417      6.378144      1.849744
  N     -10.178286      5.957886      1.171942
  C      -9.928343      5.078122      0.156983
  C     -11.018886      4.553592     -0.577538
  C     -10.780360      3.651260     -1.590189
  C      -9.445777      3.275835     -1.867770
  N      -8.391759      3.742042     -1.214208
  C      -8.618448      4.632067     -0.212323
  C      -6.953598      2.080671      7.258608
  C      -7.315902      3.519161      7.687418
  C      -6.682733      4.549001      6.748304
  O      -6.614109      4.040772      5.396185
  C      -7.783326      3.659343      4.803779
  C      -9.003030      4.305299      4.997156
  C     -10.109779      3.826049      4.281446
  N     -10.065691      2.841225      3.393928
  C      -8.862881      2.229534      3.168093
  C      -8.757156      1.263231      2.147250
  C      -7.489866      0.748488      1.881122
  C      -6.401463      1.080313      2.669789
  N      -6.459210      1.887663      3.780283
  C      -7.682597      2.564878      3.923023
  H      -4.687304     -1.586027      5.088056
  H      -5.537858     -0.713969      3.814511
  H      -3.025651     -2.435185      3.660607
  H      -4.487191     -2.503406      2.681976
  H      -2.428518     -1.741929      1.456982
  H      -2.337002     -0.300448      2.512382
  H      -5.385856      0.283562     -0.731675
  H      -5.130791      2.287897     -2.179047
  H      -1.419823      4.528922     -0.784471
  H       0.206031      4.266215      1.138273
  H      -0.069433      2.299826      2.666476
  H      -3.083615      4.727997      2.658944
  H      -4.327551      5.580551      3.582417
  H      -6.077765      4.099502      2.664062
  H      -4.868794      3.119189      1.830258
  H      -4.291843      4.950225      0.331473
  H      -5.207323      6.133931      1.297392
  H      -7.000359      6.411500      2.229846
  H      -9.322272      7.070556      2.674481
  H     -12.024509      4.879216     -0.306415
  H     -11.597195      3.222980     -2.173272
  H      -9.243359      2.554847     -2.666643
  H      -7.219505      1.403081      8.094994
  H      -7.585370      1.777603      6.412208
  H      -6.935420      3.727266      8.699405
  H      -8.409503      3.618499      7.728378
  H      -5.626807      4.705783      7.003489
  H      -7.190658      5.526571      6.764009
  H      -9.095198      5.149709      5.678303
  H     -11.086687      4.299274      4.426828
  H      -9.636589      1.006292      1.558849
  H      -7.323197      0.073349      1.040678
  H      -5.420841      0.690753      2.424461
98
Coordinates from ORCA-job orca E -6374.154045839519
  N      -3.856434      0.293571      4.585131
  Mo     -4.760531      2.034066      5.043299
  N      -5.549916      1.871678      6.889514
  C      -4.674367      1.991743      8.050239
  C      -3.271278      1.563554      7.672630
  N      -2.930944      2.113078      6.338812
  C      -1.909591      1.285497      5.657159
  C      -2.563534      0.001664      5.197715
  C      -2.544692      3.536678      6.392952
  C      -2.622420      4.131283      4.998345
  N      -3.813997      3.661898      4.295844
  H      -1.874447     -0.503871      4.497425
  H      -2.693622     -0.706670      6.045074
  H      -1.558951      1.848384      4.783166
  H      -1.048600      1.095670      6.323439
  H      -2.639098      5.234631      5.103854
  H      -1.702090      3.907207      4.415869
  H      -3.269090      4.043078      7.047491
  H      -1.537695      3.658392      6.834739
  H      -5.034776      1.348449      8.877018
  H      -4.664258      3.023563      8.461951
  H      -3.241993      0.470208      7.588591
  H      -2.522558      1.872836      8.423718
  C      -4.521909     -0.951116      4.210127
  C      -3.765982     -1.817932      3.170416
  C      -3.002696     -1.064112      2.098801
  O      -3.951907     -0.392969      1.225123
  C      -3.656275      0.690746      0.477046
  C      -4.569533      0.967399     -0.535274
  C      -4.426544      2.106336     -1.340860
  N      -3.436525      2.983613     -1.231300
  C      -2.531668      2.747425     -0.242195
  C      -1.486929      3.688707     -0.059954
  C      -0.583403      3.525141      0.964448
  C      -0.722650      2.400865      1.808106
  N      -1.669303      1.488330      1.670139
  C      -2.578861      1.629172      0.665445
  C      -4.052894      4.567078      3.175820
  C      -5.111834      4.132051      2.180463
  C      -5.174910      5.075452      0.988606
  O      -6.302631      4.752110      0.144046
  C      -7.524334      5.152572      0.532749
  C      -7.802948      6.009412      1.589771
  C      -9.138234      6.384606      1.841262
  N     -10.192724      5.973653      1.156764
  C      -9.943084      5.098722      0.137269
  C     -11.032955      4.585716     -0.606368
  C     -10.794694      3.691231     -1.626044
  C      -9.460979      3.311095     -1.901165
  N      -8.407515      3.764845     -1.237818
  C      -8.634234      4.647952     -0.229312
  C      -6.945542      2.040868      7.250756
  C      -7.337745      3.472187      7.678902
  C      -6.689389      4.520269      6.775609
  O      -6.613241      4.047586      5.410056
  C      -7.777740      3.666514      4.808049
  C      -8.999769      4.310737      4.994785
  C     -10.100443      3.839593      4.266120
  N     -10.050758      2.856588      3.375845
  C      -8.847440      2.242280      3.161066
  C      -8.738169      1.271140      2.144760
  C      -7.471392      0.749554      1.890163
  C      -6.386089      1.083732      2.682300
  N      -6.447661      1.897777      3.788048
  C      -7.671512      2.576581      3.923572
  H      -4.668301     -1.582084      5.113310
  H      -5.525185     -0.720924      3.835274
  H      -3.018233     -2.446947      3.681282
  H      -4.483135     -2.514481      2.707025
  H      -2.425927     -1.765008      1.472800
  H      -2.324487     -0.320555      2.521972
  H      -5.410982      0.290643     -0.681950
  H      -5.177345      2.310856     -2.109383
  H      -1.443176      4.534698     -0.748171
  H       0.226002      4.237243      1.131054
  H      -0.016789      2.243959      2.631314
  H      -3.093778      4.708434      2.629705
  H      -4.320726      5.576219      3.562100
  H      -6.094358      4.107261      2.665471
  H      -4.903447      3.115156      1.821002
  H      -4.309012      4.951382      0.327336
  H      -5.224966      6.133513      1.295029
  H      -7.016950      6.403967      2.230561
  H      -9.336881      7.072870      2.669603
  H     -12.038316      4.914314     -0.337854
  H     -11.612629      3.273721     -2.215443
  H      -9.256059      2.597363     -2.705877
  H      -7.201560      1.353289      8.081271
  H      -7.568965      1.735796      6.398088
  H      -7.006170      3.677642      8.708619
  H      -8.433516      3.557923      7.669528
  H      -5.634834      4.667107      7.041084
  H      -7.196950      5.496972      6.815688
  H      -9.096897      5.153458      5.677850
  H     -11.076830      4.316225      4.403071
  H      -9.614003      1.013637      1.551383
  H      -7.302586      0.067989      1.055170
  H      -5.404368      0.690360      2.445443
98
Coordinates from ORCA-job orca E -6374.154448354820
  N      -3.844204      0.296195      4.579321
  Mo     -4.747634      2.038045      5.035914
  N      -5.534034      1.867364      6.877872
  C      -4.661070      2.000343      8.039582
  C      -3.252857      1.581358      7.668551
  N      -2.913821      2.122042      6.330945
  C      -1.897539      1.290423      5.647194
  C      -2.553395      0.004956      5.195797
  C      -2.527046      3.545648      6.375481
  C      -2.613009      4.135622      4.979843
  N      -3.808414      3.664539      4.282545
  H      -1.863534     -0.507605      4.501150
  H      -2.687884     -0.696351      6.048447
  H      -1.553303      1.849162      4.767830
  H      -1.030375      1.104520      6.306746
  H      -2.631311      5.239293      5.082412
  H      -1.695751      3.911300      4.393343
  H      -3.244930      4.054590      7.035165
  H      -1.516392      3.668839      6.808671
  H      -5.019945      1.360442      8.869506
  H      -4.659943      3.035599      8.442871
  H      -3.209371      0.487578      7.596496
  H      -2.510313      1.907241      8.418780
  C      -4.519727     -0.947709      4.221140
  C      -3.774772     -1.827189      3.184445
  C      -3.005143     -1.088189      2.107364
  O      -3.944698     -0.419984      1.220967
  C      -3.657802      0.682983      0.499502
  C      -4.584641      0.982070     -0.494415
  C      -4.453161      2.138304     -1.276352
  N      -3.463387      3.015014     -1.159259
  C      -2.543804      2.756223     -0.189856
  C      -1.496298      3.693318     -0.002576
  C      -0.570761      3.501520      0.996861
  C      -0.692354      2.354506      1.812101
  N      -1.644051      1.447590      1.671089
  C      -2.575161      1.615545      0.690720
  C      -4.043380      4.564412      3.157228
  C      -5.125920      4.144736      2.181061
  C      -5.191234      5.086865      0.988473
  O      -6.315808      4.758475      0.141737
  C      -7.540890      5.146238      0.533746
  C      -7.824822      5.991257      1.598665
  C      -9.162509      6.355495      1.853570
  N     -10.214491      5.944070      1.165061
  C      -9.958958      5.079772      0.137892
  C     -11.045017      4.567423     -0.612034
  C     -10.800413      3.686504     -1.642304
  C      -9.464231      3.319640     -1.921960
  N      -8.414230      3.772078     -1.251943
  C      -8.647238      4.641115     -0.232505
  C      -6.933086      2.017653      7.237531
  C      -7.341831      3.442493      7.669130
  C      -6.691252      4.501962      6.784597
  O      -6.610135      4.047839      5.412319
  C      -7.772306      3.677037      4.800151
  C      -8.991997      4.328023      4.981314
  C     -10.090241      3.874185      4.239663
  N     -10.042166      2.896464      3.342724
  C      -8.842841      2.271243      3.137332
  C      -8.736010      1.304853      2.116338
  C      -7.474136      0.768163      1.869848
  C      -6.390298      1.088246      2.669666
  N      -6.449369      1.903180      3.775566
  C      -7.669343      2.591050      3.910120
  H      -4.662101     -1.567636      5.132302
  H      -5.523648     -0.714960      3.849578
  H      -3.030818     -2.458999      3.697793
  H      -4.499027     -2.520565      2.727465
  H      -2.434062     -1.800153      1.488818
  H      -2.319703     -0.347381      2.523076
  H      -5.429662      0.310529     -0.644157
  H      -5.214179      2.359098     -2.030273
  H      -1.465907      4.557491     -0.668527
  H       0.241893      4.209435      1.165595
  H       0.031977      2.173244      2.613706
  H      -3.089654      4.679978      2.596118
  H      -4.283810      5.582101      3.538949
  H      -6.100896      4.136934      2.681985
  H      -4.942632      3.124036      1.819289
  H      -4.322805      4.965753      0.329724
  H      -5.247592      6.144590      1.295148
  H      -7.041831      6.383239      2.244708
  H      -9.365807      7.034092      2.688696
  H     -12.053098      4.885044     -0.340611
  H     -11.617058      3.270906     -2.235202
  H      -9.251340      2.618871     -2.735894
  H      -7.184760      1.320253      8.060202
  H      -7.548619      1.718928      6.376688
  H      -7.041911      3.644546      8.709359
  H      -8.437765      3.520569      7.629977
  H      -5.638402      4.656257      7.052440
  H      -7.210082      5.472043      6.838161
  H      -9.090799      5.168299      5.667753
  H     -11.062698      4.359967      4.371721
  H      -9.609558      1.060308      1.514464
  H      -7.308239      0.085992      1.034635
  H      -5.410705      0.683658      2.440604
98
Coordinates from ORCA-job orca E -6374.154711051376
  N      -3.855433      0.303728      4.557827
  Mo     -4.746072      2.051128      5.022731
  N      -5.529432      1.876579      6.863585
  C      -4.656448      2.008690      8.025179
  C      -3.250402      1.581113      7.655333
  N      -2.908592      2.118171      6.316973
  C      -1.901746      1.278637      5.629518
  C      -2.569297     -0.000385      5.177109
  C      -2.508911      3.538539      6.362602
  C      -2.596856      4.133299      4.969467
  N      -3.800599      3.676633      4.276050
  H      -1.882734     -0.520301      4.484533
  H      -2.713374     -0.699498      6.030108
  H      -1.555393      1.835344      4.749618
  H      -1.033410      1.084737      6.285324
  H      -2.604226      5.236940      5.074542
  H      -1.684786      3.901814      4.377859
  H      -3.216645      4.052023      7.029490
  H      -1.494000      3.650748      6.788975
  H      -5.018997      1.373785      8.857238
  H      -4.650011      3.046043      8.422462
  H      -3.210674      0.486935      7.586573
  H      -2.507150      1.906237      8.405245
  C      -4.548029     -0.932533      4.205977
  C      -3.814437     -1.826357      3.172804
  C      -3.032361     -1.104407      2.093237
  O      -3.956286     -0.426145      1.198077
  C      -3.658284      0.687785      0.498793
  C      -4.582085      1.011211     -0.490802
  C      -4.443160      2.180387     -1.251333
  N      -3.448136      3.048759     -1.117545
  C      -2.529690      2.764988     -0.154288
  C      -1.474099      3.690142      0.046887
  C      -0.545793      3.471352      1.037983
  C      -0.673620      2.310152      1.831714
  N      -1.633845      1.414165      1.678349
  C      -2.567316      1.607887      0.705015
  C      -4.025877      4.579029      3.149909
  C      -5.125977      4.177576      2.185571
  C      -5.198528      5.120678      0.994484
  O      -6.318706      4.779479      0.146692
  C      -7.551390      5.137201      0.544218
  C      -7.851450      5.968018      1.615763
  C      -9.196520      6.299360      1.877017
  N     -10.240864      5.867037      1.189529
  C      -9.968384      5.015061      0.156470
  C     -11.044247      4.480698     -0.592797
  C     -10.781844      3.612535     -1.629744
  C      -9.438523      3.280571     -1.916928
  N      -8.397624      3.754169     -1.247796
  C      -8.647824      4.610868     -0.221596
  C      -6.929304      2.026748      7.225148
  C      -7.329247      3.450563      7.667042
  C      -6.693590      4.519660      6.783313
  O      -6.609961      4.081452      5.406818
  C      -7.771161      3.700013      4.798288
  C      -8.995025      4.341281      4.987076
  C     -10.092383      3.888772      4.244000
  N     -10.040933      2.919677      3.338145
  C      -8.838961      2.301121      3.128149
  C      -8.730223      1.344554      2.098725
  C      -7.468270      0.809686      1.849717
  C      -6.385243      1.123740      2.653181
  N      -6.444342      1.934180      3.762802
  C      -7.665606      2.619070      3.902410
  H      -4.696285     -1.546225      5.120423
  H      -5.549024     -0.688135      3.833954
  H      -3.079011     -2.465271      3.689853
  H      -4.548086     -2.512116      2.719360
  H      -2.471397     -1.828855      1.479867
  H      -2.335265     -0.372997      2.506065
  H      -5.432257      0.349144     -0.652920
  H      -5.202362      2.419826     -2.001522
  H      -1.439148      4.566744     -0.602336
  H       0.273003      4.169626      1.216941
  H       0.052687      2.107390      2.626024
  H      -3.075847      4.673944      2.579129
  H      -4.240959      5.602021      3.532491
  H      -6.094471      4.180917      2.699119
  H      -4.960934      3.155583      1.819089
  H      -4.327952      5.010050      0.336285
  H      -5.267401      6.177226      1.303241
  H      -7.075916      6.372018      2.263421
  H      -9.413156      6.966665      2.717863
  H     -12.059037      4.770818     -0.315712
  H     -11.590478      3.181091     -2.221990
  H      -9.211349      2.590088     -2.735770
  H      -7.185573      1.322866      8.040530
  H      -7.543099      1.740107      6.359453
  H      -7.020403      3.644931      8.706421
  H      -8.425649      3.530050      7.640161
  H      -5.642679      4.690607      7.048787
  H      -7.226786      5.481485      6.844109
  H      -9.100014      5.176752      5.678435
  H     -11.066521      4.369399      4.382064
  H      -9.603779      1.105302      1.494385
  H      -7.301952      0.132260      1.010773
  H      -5.405855      0.717658      2.426662
98
Coordinates from ORCA-job orca E -6374.154865387744
  N      -3.866030      0.304287      4.543466
  Mo     -4.746765      2.055307      5.016407
  N      -5.529114      1.882923      6.856806
  C      -4.655673      2.014208      8.018144
  C      -3.253191      1.574011      7.648769
  N      -2.908150      2.108122      6.309788
  C      -1.907468      1.261724      5.621887
  C      -2.584571     -0.011372      5.166105
  C      -2.496971      3.525649      6.356989
  C      -2.584005      4.123515      4.965131
  N      -3.794602      3.679655      4.275303
  H      -1.900205     -0.536212      4.474991
  H      -2.737291     -0.709941      6.018106
  H      -1.555319      1.817151      4.743458
  H      -1.041504      1.059579      6.278272
  H      -2.580092      5.227102      5.070654
  H      -1.676188      3.883254      4.370337
  H      -3.197703      4.043539      7.027543
  H      -1.479494      3.627797      6.779756
  H      -5.022234      1.385973      8.853399
  H      -4.641042      3.053774      8.408649
  H      -3.222306      0.479403      7.581411
  H      -2.507186      1.894244      8.398114
  C      -4.570115     -0.924218      4.187643
  C      -3.839361     -1.823499      3.157047
  C      -3.047388     -1.107555      2.080676
  O      -3.959664     -0.427106      1.174868
  C      -3.655327      0.695627      0.492243
  C      -4.569098      1.027379     -0.504437
  C      -4.424796      2.203259     -1.252928
  N      -3.431872      3.071264     -1.102082
  C      -2.522257      2.778874     -0.133149
  C      -1.467621      3.701842      0.082984
  C      -0.548081      3.476017      1.080594
  C      -0.683150      2.309300      1.864728
  N      -1.641176      1.413610      1.696389
  C      -2.566517      1.614336      0.716465
  C      -4.011705      4.582257      3.147273
  C      -5.122877      4.190824      2.191978
  C      -5.203551      5.130559      0.999676
  O      -6.321819      4.776272      0.154779
  C      -7.558168      5.116008      0.557169
  C      -7.865890      5.946211      1.626907
  C      -9.214523      6.260541      1.891204
  N     -10.255259      5.811796      1.208956
  C      -9.974921      4.959173      0.178644
  C     -11.045750      4.406768     -0.564770
  C     -10.774688      3.538854     -1.599889
  C      -9.427907      3.225459     -1.891121
  N      -8.391620      3.716207     -1.227363
  C      -8.650088      4.571972     -0.202735
  C      -6.929351      2.040097      7.215934
  C      -7.315608      3.462772      7.669333
  C      -6.684929      4.530346      6.779626
  O      -6.599629      4.093236      5.404001
  C      -7.762525      3.719674      4.793255
  C      -8.983223      4.365921      4.984796
  C     -10.082311      3.923490      4.237668
  N     -10.034140      2.962980      3.323104
  C      -8.834362      2.341398      3.109014
  C      -8.728232      1.396507      2.069201
  C      -7.469376      0.855354      1.818871
  C      -6.387792      1.150867      2.631275
  N      -6.444959      1.951358      3.748581
  C      -7.661585      2.644079      3.889966
  H      -4.727680     -1.538167      5.100445
  H      -5.567161     -0.669780      3.811607
  H      -3.110236     -2.467079      3.677234
  H      -4.576030     -2.504706      2.701607
  H      -2.485524     -1.836883      1.473901
  H      -2.348941     -0.378941      2.496355
  H      -5.416153      0.365199     -0.681815
  H      -5.177464      2.448722     -2.007749
  H      -1.427255      4.583277     -0.559306
  H       0.268769      4.173200      1.272205
  H       0.035490      2.101820      2.664563
  H      -3.064088      4.663017      2.570692
  H      -4.210275      5.608787      3.529162
  H      -6.086442      4.201121      2.714618
  H      -4.968652      3.167892      1.823362
  H      -4.332782      5.025358      0.340688
  H      -5.282040      6.187467      1.305643
  H      -7.093461      6.363055      2.270220
  H      -9.437213      6.928652      2.729822
  H     -12.063604      4.683321     -0.285134
  H     -11.578632      3.093497     -2.188322
  H      -9.194645      2.535777     -2.708979
  H      -7.194878      1.331409      8.024262
  H      -7.541434      1.765559      6.344964
  H      -6.990838      3.650572      8.705265
  H      -8.411967      3.548622      7.661405
  H      -5.635423      4.709767      7.045938
  H      -7.222288      5.489931      6.839314
  H      -9.087414      5.197254      5.681042
  H     -11.054371      4.407312      4.379323
  H      -9.602050      1.172025      1.459778
  H      -7.304974      0.185213      0.973777
  H      -5.411319      0.736014      2.407722
98
Coordinates from ORCA-job orca E -6374.154957011742
  N      -3.881400      0.309211      4.529065
  Mo     -4.750686      2.064135      5.009231
  N      -5.533988      1.890821      6.849260
  C      -4.660780      2.021685      8.010667
  C      -3.262260      1.568094      7.642094
  N      -2.912691      2.100407      6.303225
  C      -1.917896      1.246494      5.615922
  C      -2.605405     -0.019595      5.155734
  C      -2.488509      3.514555      6.353218
  C      -2.571188      4.115748      4.962448
  N      -3.788358      3.686990      4.275019
  H      -1.923707     -0.549846      4.466150
  H      -2.767823     -0.717724      6.006329
  H      -1.558208      1.800562      4.739751
  H      -1.055899      1.034944      6.274503
  H      -2.553673      5.219096      5.068749
  H      -1.667314      3.865075      4.365654
  H      -3.184005      4.037474      7.025173
  H      -1.469781      3.605790      6.775356
  H      -5.031805      1.400527      8.849178
  H      -4.637632      3.063354      8.394784
  H      -3.242631      0.473277      7.573962
  H      -2.513059      1.880672      8.391470
  C      -4.595178     -0.911373      4.165348
  C      -3.866128     -1.814184      3.136513
  C      -3.064681     -1.101750      2.064743
  O      -3.967477     -0.411075      1.157075
  C      -3.650538      0.714001      0.483752
  C      -4.556911      1.059790     -0.515075
  C      -4.401140      2.239975     -1.254087
  N      -3.401907      3.099012     -1.093279
  C      -2.497861      2.791485     -0.123827
  C      -1.433934      3.702206      0.099204
  C      -0.518709      3.461395      1.097237
  C      -0.667962      2.292281      1.875114
  N      -1.634318      1.406920      1.699906
  C      -2.555121      1.622035      0.718563
  C      -3.997184      4.591622      3.146658
  C      -5.114795      4.207697      2.196222
  C      -5.202660      5.143536      1.001872
  O      -6.319804      4.774995      0.161400
  C      -7.558907      5.100584      0.567066
  C      -7.873251      5.937198      1.629746
  C      -9.224696      6.239042      1.894237
  N     -10.262073      5.770601      1.220547
  C      -9.975062      4.908243      0.200378
  C     -11.041543      4.332684     -0.531311
  C     -10.763337      3.455047     -1.556164
  C      -9.413844      3.155703     -1.849579
  N      -8.381365      3.668590     -1.197061
  C      -8.646783      4.533136     -0.181635
  C      -6.934614      2.052070      7.206065
  C      -7.312114      3.472854      7.671269
  C      -6.687582      4.542527      6.779895
  O      -6.604003      4.112348      5.402803
  C      -7.767797      3.735591      4.794649
  C      -8.989735      4.376375      4.995031
  C     -10.090188      3.934477      4.249166
  N     -10.041341      2.982138      3.326604
  C      -8.839755      2.367577      3.102726
  C      -8.733079      1.434293      2.052700
  C      -7.473932      0.896587      1.796926
  C      -6.393086      1.183235      2.613550
  N      -6.449792      1.974044      3.737881
  C      -7.666417      2.665307      3.884950
  H      -4.764539     -1.527460      5.074691
  H      -5.587426     -0.646379      3.784048
  H      -3.143765     -2.463649      3.658730
  H      -4.605737     -2.489566      2.677130
  H      -2.506182     -1.834079      1.458470
  H      -2.362165     -0.379816      2.485332
  H      -5.407742      0.404754     -0.700993
  H      -5.149337      2.496974     -2.009511
  H      -1.382974      4.586385     -0.538508
  H       0.305364      4.148567      1.293947
  H       0.046314      2.073903      2.676020
  H      -3.050342      4.662325      2.567727
  H      -4.184083      5.620302      3.528562
  H      -6.075090      4.222501      2.724795
  H      -4.966967      3.184085      1.827044
  H      -4.332430      5.042876      0.341274
  H      -5.289419      6.200969      1.303718
  H      -7.103578      6.371277      2.264921
  H      -9.452522      6.914737      2.725400
  H     -12.061737      4.599641     -0.250884
  H     -11.562853      2.991193     -2.135889
  H      -9.176176      2.458581     -2.659875
  H      -7.206847      1.338046      8.007730
  H      -7.545210      1.786753      6.331570
  H      -6.972065      3.653958      8.703603
  H      -8.408272      3.561651      7.680369
  H      -5.638250      4.723760      7.046105
  H      -7.225682      5.501524      6.843784
  H      -9.094876      5.203116      5.696570
  H     -11.063831      4.412736      4.398763
  H      -9.607770      1.217265      1.441400
  H      -7.308838      0.235246      0.945178
  H      -5.416963      0.769349      2.387529
98
Coordinates from ORCA-job orca E -6374.155020033185
  N      -3.897129      0.310595      4.518701
  Mo     -4.755663      2.069052      5.004929
  N      -5.538842      1.894504      6.845529
  C      -4.664398      2.025650      8.005966
  C      -3.269693      1.560789      7.637310
  N      -2.917227      2.091065      6.298206
  C      -1.928427      1.229607      5.611373
  C      -2.625973     -0.030120      5.148613
  C      -2.481414      3.502025      6.349409
  C      -2.560850      4.105122      4.959268
  N      -3.784030      3.689388      4.274719
  H      -1.947252     -0.566008      4.460481
  H      -2.796981     -0.727121      5.998461
  H      -1.562189      1.781725      4.736736
  H      -1.069934      1.009659      6.271702
  H      -2.531174      5.208158      5.065557
  H      -1.661034      3.844756      4.360414
  H      -3.172302      4.029907      7.022142
  H      -1.461700      3.584073      6.770882
  H      -5.038427      1.411163      8.848007
  H      -4.633679      3.069118      8.384346
  H      -3.260118      0.465876      7.568553
  H      -2.517144      1.866702      8.386054
  C      -4.618456     -0.902436      4.144840
  C      -3.890414     -1.805367      3.115437
  C      -3.079500     -1.093057      2.050459
  O      -3.973350     -0.393813      1.140290
  C      -3.646689      0.733919      0.475554
  C      -4.547228      1.091503     -0.524493
  C      -4.382414      2.275306     -1.255399
  N      -3.378444      3.127284     -1.086122
  C      -2.479094      2.807657     -0.116253
  C      -1.409398      3.709841      0.114181
  C      -0.498174      3.457398      1.112972
  C      -0.657541      2.285167      1.883987
  N      -1.629128      1.407047      1.701700
  C      -2.546202      1.633527      0.719192
  C      -3.986470      4.596327      3.146536
  C      -5.109153      4.219726      2.199855
  C      -5.201799      5.152624      1.003895
  O      -6.317613      4.771855      0.166741
  C      -7.559027      5.088308      0.572753
  C      -7.879595      5.936914      1.623920
  C      -9.233345      6.231379      1.884937
  N     -10.267308      5.742710      1.220737
  C      -9.974073      4.864417      0.216148
  C     -11.036368      4.263033     -0.500531
  C     -10.751620      3.369177     -1.509348
  C      -9.399775      3.080643     -1.802966
  N      -8.371052      3.617805     -1.164398
  C      -8.642881      4.496757     -0.163217
  C      -6.938960      2.059552      7.202556
  C      -7.309684      3.479080      7.676331
  C      -6.687090      4.548794      6.783657
  O      -6.603823      4.123691      5.405570
  C      -7.768469      3.750531      4.795964
  C      -8.989153      4.392232      5.000243
  C     -10.091020      3.953900      4.253934
  N     -10.043176      3.007725      3.325432
  C      -8.841557      2.395938      3.094599
  C      -8.735170      1.473850      2.034803
  C      -7.477001      0.934860      1.777045
  C      -6.397756      1.209272      2.600025
  N      -6.453648      1.991340      3.730617
  C      -7.668415      2.685126      3.880403
  H      -4.798629     -1.522212      5.049592
  H      -5.606304     -0.627688      3.759097
  H      -3.174913     -2.461993      3.638053
  H      -4.632048     -2.473969      2.649388
  H      -2.521420     -1.826153      1.444767
  H      -2.375646     -0.376584      2.477927
  H      -5.400875      0.442106     -0.717483
  H      -5.127335      2.541816     -2.010672
  H      -1.350977      4.596970     -0.518752
  H       0.330329      4.137545      1.315338
  H       0.053049      2.058084      2.685771
  H      -3.040342      4.658660      2.565606
  H      -4.163565      5.626457      3.529069
  H      -6.067096      4.237840      2.732550
  H      -4.966735      3.195990      1.829065
  H      -4.331787      5.054585      0.342485
  H      -5.294791      6.210607      1.301610
  H      -7.112816      6.389188      2.249868
  H      -9.465886      6.919464      2.704592
  H     -12.058522      4.523579     -0.221254
  H     -11.546980      2.883969     -2.077147
  H      -9.157775      2.371898     -2.601836
  H      -7.214607      1.341592      7.999772
  H      -7.550292      1.800831      6.326744
  H      -6.959511      3.655709      8.706087
  H      -8.405439      3.570791      7.696068
  H      -5.637907      4.729350      7.051455
  H      -7.224435      5.508052      6.850507
  H      -9.092415      5.216536      5.704838
  H     -11.064825      4.430353      4.408411
  H      -9.609557      1.267878      1.419081
  H      -7.311491      0.281553      0.919247
  H      -5.423134      0.792057      2.373680
98
Coordinates from ORCA-job orca E -6374.155075157806
  N      -3.916762      0.316513      4.507796
  Mo     -4.763446      2.077735      5.002782
  N      -5.546236      1.896807      6.844636
  C      -4.669217      2.025704      8.003404
  C      -3.278646      1.550626      7.632654
  N      -2.923908      2.082416      6.294594
  C      -1.941427      1.214932      5.605515
  C      -2.649575     -0.037305      5.138509
  C      -2.476417      3.489888      6.350140
  C      -2.552175      4.097510      4.961837
  N      -3.781035      3.696062      4.279082
  H      -1.975115     -0.577782      4.449800
  H      -2.827987     -0.734667      5.986543
  H      -1.569253      1.766741      4.733161
  H      -1.086239      0.985235      6.266727
  H      -2.510185      5.199854      5.070236
  H      -1.656436      3.828585      4.360629
  H      -3.163460      4.021410      7.023944
  H      -1.456240      3.562115      6.772042
  H      -5.045658      1.416230      8.848007
  H      -4.630791      3.069994      8.378829
  H      -3.280067      0.455953      7.559814
  H      -2.522102      1.847116      8.381084
  C      -4.645505     -0.888997      4.124112
  C      -3.921603     -1.790133      3.090396
  C      -3.102728     -1.075865      2.032472
  O      -3.989600     -0.364069      1.125036
  C      -3.650623      0.762534      0.464051
  C      -4.547869      1.135197     -0.533429
  C      -4.369227      2.319444     -1.260210
  N      -3.354058      3.157945     -1.089413
  C      -2.457452      2.823174     -0.122164
  C      -1.375427      3.710401      0.109382
  C      -0.466029      3.442754      1.105860
  C      -0.639846      2.270111      1.873136
  N      -1.622780      1.405191      1.689424
  C      -2.538649      1.647028      0.709259
  C      -3.977039      4.608062      3.153471
  C      -5.100910      4.238746      2.206221
  C      -5.193995      5.170408      1.009308
  O      -6.304853      4.777337      0.170636
  C      -7.550789      5.082510      0.571229
  C      -7.884722      5.943005      1.608438
  C      -9.242723      6.225019      1.861021
  N     -10.268744      5.709996      1.204723
  C      -9.961910      4.815459      0.218780
  C     -11.014816      4.180223     -0.482033
  C     -10.716389      3.269734     -1.471607
  C      -9.360088      2.999503     -1.763144
  N      -8.339840      3.568084     -1.138799
  C      -8.625219      4.462014     -0.154740
  C      -6.944972      2.065431      7.204864
  C      -7.308473      3.484158      7.687027
  C      -6.684685      4.553951      6.794603
  O      -6.606702      4.135967      5.414148
  C      -7.773786      3.764908      4.806589
  C      -8.993870      4.404898      5.019347
  C     -10.099644      3.965065      4.279302
  N     -10.055119      3.021570      3.348169
  C      -8.852927      2.416090      3.104726
  C      -8.749838      1.501059      2.038195
  C      -7.491499      0.966604      1.771875
  C      -6.409969      1.236779      2.593279
  N      -6.462219      2.010862      3.729438
  C      -7.676564      2.703394      3.886594
  H      -4.833895     -1.513351      5.023974
  H      -5.630082     -0.604484      3.737085
  H      -3.212999     -2.456468      3.610006
  H      -4.666728     -2.449378      2.616601
  H      -2.547183     -1.808177      1.423645
  H      -2.395975     -0.366964      2.467570
  H      -5.409554      0.496655     -0.727477
  H      -5.112466      2.598375     -2.012521
  H      -1.306562      4.598621     -0.520950
  H       0.371785      4.111056      1.309277
  H       0.068600      2.031551      2.673487
  H      -3.030107      4.665167      2.573349
  H      -4.147509      5.638232      3.538634
  H      -6.058898      4.257289      2.738942
  H      -4.960656      3.215585      1.833097
  H      -4.321998      5.075791      0.349966
  H      -5.293817      6.228530      1.303406
  H      -7.125215      6.417004      2.227195
  H      -9.485694      6.925667      2.666971
  H     -12.040722      4.429176     -0.205926
  H     -11.503478      2.757639     -2.026952
  H      -9.107811      2.278955     -2.548143
  H      -7.221406      1.343383      7.998388
  H      -7.560184      1.812931      6.330319
  H      -6.950374      3.656050      8.714860
  H      -8.403715      3.579587      7.713822
  H      -5.634007      4.726496      7.062169
  H      -7.216427      5.515809      6.867869
  H      -9.092746      5.228012      5.725877
  H     -11.074575      4.436177      4.443157
  H      -9.626798      1.299252      1.424411
  H      -7.327717      0.319925      0.908815
  H      -5.436298      0.820770      2.361213
98
Coordinates from ORCA-job orca E -6374.155126841792
  N      -3.924821      0.318283      4.506919
  Mo     -4.765900      2.080099      5.006290
  N      -5.546318      1.894525      6.850238
  C      -4.665298      2.020421      8.006504
  C      -3.276619      1.543539      7.631564
  N      -2.923586      2.077932      6.294110
  C      -1.944268      1.209251      5.601389
  C      -2.656837     -0.040174      5.133688
  C      -2.472704      3.484140      6.351630
  C      -2.548546      4.093958      4.964341
  N      -3.779485      3.696794      4.282759
  H      -1.985913     -0.581524      4.442214
  H      -2.834908     -0.738535      5.980935
  H      -1.572084      1.761740      4.729480
  H      -1.088988      0.975904      6.261140
  H      -2.502952      5.195933      5.074307
  H      -1.654594      3.823125      4.361405
  H      -3.159036      4.016223      7.025799
  H      -1.452527      3.553612      6.773835
  H      -5.040605      1.410911      8.851613
  H      -4.623846      3.064003      8.383833
  H      -3.282033      0.449150      7.555136
  H      -2.517377      1.835446      8.378974
  C      -4.656211     -0.884959      4.120787
  C      -3.937617     -1.783606      3.081256
  C      -3.116831     -1.066842      2.026270
  O      -4.002748     -0.349118      1.122396
  C      -3.661503      0.776644      0.460927
  C      -4.561515      1.155196     -0.531779
  C      -4.379122      2.338509     -1.259182
  N      -3.358219      3.171022     -1.092783
  C      -2.459822      2.831446     -0.128984
  C      -1.373110      3.713688      0.100019
  C      -0.461890      3.441372      1.093528
  C      -0.638464      2.268612      1.860136
  N      -1.625809      1.408435      1.678706
  C      -2.544122      1.655245      0.701958
  C      -3.977017      4.613769      3.161499
  C      -5.099825      4.247268      2.212329
  C      -5.190782      5.181917      1.017365
  O      -6.295731      4.785073      0.172506
  C      -7.545575      5.086275      0.563021
  C      -7.892061      5.951904      1.591820
  C      -9.253607      6.227683      1.832385
  N     -10.271766      5.700954      1.173006
  C      -9.952373      4.800173      0.196738
  C     -10.996356      4.150543     -0.504315
  C     -10.685323      3.233286     -1.483609
  C      -9.325091      2.971499     -1.765426
  N      -8.313002      3.553533     -1.140382
  C      -8.610997      4.453507     -0.165638
  C      -6.943250      2.063805      7.216109
  C      -7.305728      3.483376      7.697846
  C      -6.676180      4.551724      6.806553
  O      -6.603135      4.134747      5.425186
  C      -7.772426      3.769493      4.817862
  C      -8.990575      4.412719      5.032177
  C     -10.099089      3.972054      4.296581
  N     -10.058805      3.024848      3.368897
  C      -8.858055      2.418341      3.121520
  C      -8.759148      1.499416      2.057557
  C      -7.500900      0.967077      1.786145
  C      -6.415835      1.241831      2.601385
  N      -6.464802      2.016076      3.737290
  C      -7.678690      2.708209      3.897736
  H      -4.843788     -1.511822      5.018968
  H      -5.641312     -0.597273      3.737351
  H      -3.231831     -2.456489      3.596155
  H      -4.685873     -2.436424      2.603495
  H      -2.562782     -1.797572      1.414266
  H      -2.408746     -0.361440      2.464587
  H      -5.427485      0.521307     -0.722094
  H      -5.124459      2.621865     -2.007623
  H      -1.302606      4.602092     -0.529901
  H       0.379486      4.105773      1.294996
  H       0.071638      2.025927      2.657858
  H      -3.029833      4.673745      2.581850
  H      -4.148424      5.642126      3.550972
  H      -6.058864      4.262702      2.743253
  H      -4.958054      3.225350      1.836229
  H      -4.315864      5.091617      0.361470
  H      -5.295062      6.239165      1.312536
  H      -7.140002      6.435244      2.212543
  H      -9.506532      6.933664      2.630623
  H     -12.025615      4.394083     -0.235913
  H     -11.465063      2.709715     -2.038651
  H      -9.062329      2.246148     -2.542491
  H      -7.214904      1.341676      8.011301
  H      -7.563932      1.810377      6.345825
  H      -6.951377      3.655637      8.726719
  H      -8.400870      3.580651      7.719104
  H      -5.623844      4.714859      7.073343
  H      -7.201270      5.516852      6.883378
  H      -9.084462      5.237805      5.736991
  H     -11.073351      4.443899      4.462442
  H      -9.638921      1.293501      1.449297
  H      -7.340033      0.318610      0.923872
  H      -5.442575      0.827219      2.365219
98
Coordinates from ORCA-job orca E -6374.155183143152
  N      -3.938152      0.321154      4.498769
  Mo     -4.768799      2.083911      5.007383
  N      -5.545789      1.888593      6.853560
  C      -4.659560      2.005819      8.006859
  C      -3.273997      1.525930      7.625214
  N      -2.922336      2.066527      6.289794
  C      -1.949040      1.196244      5.589982
  C      -2.669855     -0.047198      5.119382
  C      -2.464673      3.470165      6.353177
  C      -2.540711      4.087101      4.969138
  N      -3.775510      3.699750      4.288564
  H      -2.004932     -0.590065      4.423435
  H      -2.848947     -0.747722      5.964580
  H      -1.576564      1.750611      4.719470
  H      -1.093410      0.955307      6.246507
  H      -2.488551      5.188198      5.084502
  H      -1.649989      3.814449      4.362417
  H      -3.148406      4.002138      7.030119
  H      -1.443973      3.533081      6.774987
  H      -5.034470      1.394859      8.851127
  H      -4.612593      3.047559      8.388992
  H      -3.285765      0.432151      7.541534
  H      -2.511149      1.809345      8.372087
  C      -4.676742     -0.877004      4.110342
  C      -3.969398     -1.773384      3.061171
  C      -3.145183     -1.055150      2.009873
  O      -4.028180     -0.328147      1.110667
  C      -3.683654      0.800678      0.456484
  C      -4.586510      1.193055     -0.528113
  C      -4.398901      2.379813     -1.248547
  N      -3.371091      3.203791     -1.081426
  C      -2.471209      2.851965     -0.123552
  C      -1.378773      3.726366      0.108681
  C      -0.465363      3.440999      1.096369
  C      -0.645562      2.262730      1.854001
  N      -1.638693      1.410161      1.669667
  C      -2.559584      1.670079      0.698723
  C      -3.972942      4.626044      3.174839
  C      -5.097499      4.267919      2.224861
  C      -5.187834      5.207010      1.033186
  O      -6.278545      4.796570      0.176197
  C      -7.536439      5.083001      0.550357
  C      -7.907253      5.959246      1.561384
  C      -9.275662      6.215286      1.784795
  N     -10.278317      5.659017      1.125580
  C      -9.934241      4.746885      0.168370
  C     -10.960409      4.064807     -0.528519
  C     -10.624648      3.135320     -1.487765
  C      -9.257387      2.894392     -1.754464
  N      -8.261372      3.506766     -1.132572
  C      -8.583860      4.418931     -0.176859
  C      -6.939970      2.063505      7.226057
  C      -7.294496      3.484712      7.709833
  C      -6.650896      4.550171      6.823712
  O      -6.587176      4.137055      5.440717
  C      -7.761801      3.786617      4.834499
  C      -8.973879      4.439148      5.055672
  C     -10.088691      4.008790      4.323677
  N     -10.059802      3.062628      3.394278
  C      -8.865140      2.447547      3.139417
  C      -8.777790      1.529953      2.073056
  C      -7.523500      0.993387      1.791428
  C      -6.431581      1.262112      2.599512
  N      -6.470732      2.030625      3.739630
  C      -7.679756      2.728971      3.909480
  H      -4.861940     -1.506953      5.006716
  H      -5.662783     -0.583014      3.734140
  H      -3.268594     -2.457440      3.568004
  H      -4.724572     -2.414852      2.578990
  H      -2.595256     -1.785036      1.393257
  H      -2.433272     -0.355844      2.451499
  H      -5.458135      0.566889     -0.717848
  H      -5.146354      2.673385     -1.990766
  H      -1.306123      4.619350     -0.514506
  H       0.380514      4.099001      1.299976
  H       0.066782      2.008853      2.646303
  H      -3.026367      4.687580      2.594170
  H      -4.141303      5.651755      3.572381
  H      -6.056468      4.281404      2.756081
  H      -4.957150      3.247528      1.843801
  H      -4.305939      5.130521      0.384912
  H      -5.308065      6.261835      1.330580
  H      -7.169559      6.465686      2.181178
  H      -9.548316      6.930990      2.567762
  H     -11.996006      4.293679     -0.271832
  H     -11.389952      2.586943     -2.039052
  H      -8.974469      2.159844     -2.515657
  H      -7.210261      1.340213      8.020602
  H      -7.567346      1.815254      6.358987
  H      -6.946241      3.653171      8.741263
  H      -8.388952      3.590451      7.722167
  H      -5.595574      4.695109      7.088906
  H      -7.161941      5.522193      6.907287
  H      -9.056779      5.263218      5.763059
  H     -11.058705      4.487633      4.494333
  H      -9.662416      1.329265      1.470410
  H      -7.370911      0.347440      0.925716
  H      -5.461201      0.845760      2.354371
98
Coordinates from ORCA-job orca E -6374.144962324352
  N      -3.975984      0.330616      4.473075
  Mo     -4.798889      2.089742      5.002679
  N      -5.564509      1.877457      6.850579
  C      -4.671371      1.958545      8.001240
  C      -3.288088      1.488057      7.601457
  N      -2.943448      2.051670      6.273604
  C      -1.976299      1.192870      5.552567
  C      -2.700542     -0.045248      5.074034
  C      -2.488176      3.454665      6.355403
  C      -2.573010      4.094396      4.982114
  N      -3.807770      3.711925      4.297419
  H      -2.043391     -0.579041      4.364192
  H      -2.869985     -0.756474      5.912210
  H      -1.615250      1.758653      4.684887
  H      -1.111692      0.945174      6.194916
  H      -2.527101      5.193822      5.116951
  H      -1.682787      3.838708      4.367630
  H      -3.168040      3.974083      7.045887
  H      -1.464766      3.513335      6.771609
  H      -5.044641      1.326742      8.830817
  H      -4.619498      2.989564      8.411284
  H      -3.296456      0.395828      7.499128
  H      -2.522739      1.760754      8.349699
  C      -4.724769     -0.863501      4.092780
  C      -4.035276     -1.763917      3.034392
  C      -3.206665     -1.055091      1.981353
  O      -4.082279     -0.321654      1.081456
  C      -3.733554      0.814306      0.444531
  C      -4.638277      1.226601     -0.529940
  C      -4.444750      2.421997     -1.234659
  N      -3.411366      3.236876     -1.058945
  C      -2.511277      2.866920     -0.108116
  C      -1.413874      3.731958      0.134626
  C      -0.498035      3.425051      1.113221
  C      -0.680993      2.235086      1.852434
  N      -1.680713      1.392331      1.659262
  C      -2.603055      1.673199      0.696208
  C      -4.006944      4.648129      3.192544
  C      -5.132613      4.293158      2.240818
  C      -5.228681      5.240034      1.056309
  O      -6.290880      4.806029      0.175998
  C      -7.560767      5.052368      0.537106
  C      -7.964844      5.918558      1.543580
  C      -9.342043      6.124333      1.765002
  N     -10.322630      5.533036      1.102157
  C      -9.944309      4.638075      0.141617
  C     -10.945161      3.930102     -0.567547
  C     -10.575446      3.017125     -1.530221
  C      -9.200268      2.816689     -1.785939
  N      -8.226412      3.453844     -1.152335
  C      -8.582204      4.354302     -0.196222
  C      -6.954028      2.072021      7.230765
  C      -7.280838      3.491588      7.737683
  C      -6.581476      4.560885      6.899972
  O      -6.492259      4.160399      5.515818
  C      -7.655868      3.840210      4.875610
  C      -8.858897      4.521366      5.058432
  C      -9.954653      4.131438      4.278303
  N      -9.916794      3.191565      3.341872
  C      -8.734693      2.534079      3.139205
  C      -8.634303      1.613539      2.077386
  C      -7.387444      1.038774      1.841454
  C      -6.316269      1.277966      2.686011
  N      -6.375885      2.048944      3.824327
  C      -7.571085      2.780912      3.952544
  H      -4.896491     -1.491656      4.993025
  H      -5.715256     -0.566196      3.731165
  H      -3.339404     -2.458415      3.533971
  H      -4.802148     -2.394061      2.556086
  H      -2.667524     -1.791707      1.363101
  H      -2.484472     -0.362834      2.417849
  H      -5.516754      0.612012     -0.723412
  H      -5.192402      2.730010     -1.970978
  H      -1.339217      4.634870     -0.473851
  H       0.351779      4.075735      1.324018
  H       0.034354      1.962667      2.635648
  H      -3.061845      4.718279      2.610620
  H      -4.178413      5.669389      3.600268
  H      -6.090195      4.302287      2.774724
  H      -4.990276      3.274309      1.855603
  H      -4.332555      5.199432      0.423779
  H      -5.388241      6.287072      1.364019
  H      -7.247120      6.447761      2.168206
  H      -9.642852      6.827596      2.548744
  H     -11.988880      4.125463     -0.316305
  H     -11.321924      2.452536     -2.091428
  H      -8.889641      2.094042     -2.547863
  H      -7.240080      1.340272      8.010939
  H      -7.584651      1.857211      6.355985
  H      -6.967568      3.626115      8.785195
  H      -8.371556      3.629935      7.712766
  H      -5.529053      4.674614      7.189377
  H      -7.069980      5.544293      6.986036
  H      -8.949109      5.341281      5.770143
  H     -10.913204      4.644537      4.408467
  H      -9.500209      1.437860      1.441578
  H      -7.222714      0.389645      0.980138
  H      -5.346679      0.842262      2.471625
98
Coordinates from ORCA-job orca E -6374.155075835250
  N      -3.944459      0.336986      4.490643
  Mo     -4.766846      2.098754      5.011933
  N      -5.545320      1.892880      6.855054
  C      -4.658035      1.983888      8.010070
  C      -3.272612      1.508835      7.621252
  N      -2.919157      2.063553      6.292245
  C      -1.949438      1.199685      5.579985
  C      -2.672645     -0.038855      5.099613
  C      -2.460537      3.465608      6.370085
  C      -2.536798      4.098937      4.993307
  N      -3.769743      3.716579      4.306012
  H      -2.011901     -0.574892      4.394592
  H      -2.847765     -0.748163      5.938228
  H      -1.581763      1.762594      4.713221
  H      -1.089666      0.952276      6.228808
  H      -2.488729      5.198744      5.123415
  H      -1.644549      3.837813      4.383870
  H      -3.142979      3.990217      7.054133
  H      -1.439301      3.523495      6.791617
  H      -5.034952      1.356788      8.841556
  H      -4.608870      3.017254      8.414286
  H      -3.282670      0.416028      7.525642
  H      -2.510835      1.784532      8.372068
  C      -4.694285     -0.856117      4.108662
  C      -4.007779     -1.756642      3.048625
  C      -3.182099     -1.047846      1.992665
  O      -4.060696     -0.309293      1.098676
  C      -3.710522      0.820560      0.449965
  C      -4.625204      1.234827     -0.514598
  C      -4.430808      2.422960     -1.231174
  N      -3.386687      3.228563     -1.077855
  C      -2.475962      2.856729     -0.138092
  C      -1.365858      3.712206      0.079883
  C      -0.437999      3.404495      1.046955
  C      -0.621533      2.222837      1.798709
  N      -1.632565      1.388602      1.628237
  C      -2.567888      1.670647      0.677742
  C      -3.967433      4.651494      3.200510
  C      -5.097678      4.299995      2.253863
  C      -5.188872      5.244238      1.067165
  O      -6.259432      4.820094      0.192438
  C      -7.526880      5.080573      0.553394
  C      -7.925573      5.950942      1.558706
  C      -9.301481      6.172169      1.773964
  N     -10.285882      5.592015      1.107238
  C      -9.913362      4.691246      0.149973
  C     -10.918161      3.990708     -0.560790
  C     -10.553269      3.070311     -1.518466
  C      -9.178881      2.856885     -1.769057
  N      -8.201919      3.487717     -1.134413
  C      -8.553052      4.392941     -0.182124
  C      -6.938896      2.073967      7.228123
  C      -7.291922      3.496950      7.707379
  C      -6.636222      4.561522      6.828905
  O      -6.580108      4.139554      5.447920
  C      -7.758572      3.795355      4.847041
  C      -8.967073      4.455402      5.067167
  C     -10.083486      4.034564      4.333098
  N     -10.061871      3.086379      3.405081
  C      -8.873656      2.455738      3.158883
  C      -8.794535      1.528619      2.100735
  C      -7.545225      0.980410      1.819338
  C      -6.447161      1.251477      2.618472
  N      -6.479285      2.030846      3.751908
  C      -7.685239      2.734417      3.924477
  H      -4.868961     -1.485235      5.007685
  H      -5.683986     -0.556093      3.746717
  H      -3.312075     -2.452883      3.545946
  H      -4.776787     -2.385073      2.571331
  H      -2.647970     -1.785280      1.370982
  H      -2.456210     -0.358592      2.427244
  H      -5.511743      0.626517     -0.691189
  H      -5.186839      2.733236     -1.957776
  H      -1.291454      4.609009     -0.537623
  H       0.421681      4.048002      1.238918
  H       0.103199      1.949958      2.573244
  H      -3.023255      4.716277      2.616406
  H      -4.133986      5.674443      3.606133
  H      -6.053519      4.317227      2.790177
  H      -4.964248      3.278776      1.871812
  H      -4.295946      5.190417      0.431525
  H      -5.334681      6.294099      1.371309
  H      -7.204777      6.473570      2.185079
  H      -9.597556      6.879853      2.555553
  H     -11.960903      4.196535     -0.313860
  H     -11.302212      2.508491     -2.079217
  H      -8.871901      2.128552     -2.526980
  H      -7.210080      1.353008      8.023838
  H      -7.567361      1.828836      6.359986
  H      -6.963781      3.663452      8.745434
  H      -8.385809      3.608873      7.699069
  H      -5.579327      4.701647      7.089140
  H      -7.142265      5.536227      6.910902
  H      -9.047098      5.279388      5.774877
  H     -11.047741      4.527111      4.496803
  H      -9.681297      1.327706      1.502189
  H      -7.400262      0.327185      0.957673
  H      -5.477556      0.834260      2.369179
98
Coordinates from ORCA-job orca E -6374.146411742745
  N      -3.956892      0.295589      4.478536
  Mo     -4.757901      2.077400      4.967069
  N      -5.530615      1.919664      6.819907
  C      -4.635258      2.024750      7.967799
  C      -3.259645      1.519849      7.580575
  N      -2.907186      2.046283      6.240242
  C      -1.947115      1.160691      5.540188
  C      -2.683938     -0.079477      5.085337
  C      -2.430273      3.443676      6.293193
  C      -2.498581      4.047937      4.903453
  N      -3.736176      3.666829      4.225579
  H      -2.032252     -0.633225      4.384952
  H      -2.859395     -0.772626      5.937424
  H      -1.575882      1.705823      4.662751
  H      -1.089267      0.916338      6.192436
  H      -2.435127      5.149387      5.007964
  H      -1.609684      3.759560      4.300707
  H      -3.106285      3.990801      6.966163
  H      -1.408340      3.496142      6.713321
  H      -5.014876      1.420025      8.814536
  H      -4.569625      3.065543      8.350068
  H      -3.289342      0.425902      7.504249
  H      -2.487486      1.795686      8.320758
  C      -4.713999     -0.899033      4.116388
  C      -4.037693     -1.796253      3.049674
  C      -3.227950     -1.064535      1.996225
  O      -4.123538     -0.296824      1.142544
  C      -3.779045      0.855247      0.526913
  C      -4.692887      1.301233     -0.424405
  C      -4.501740      2.516735     -1.094976
  N      -3.461578      3.320995     -0.908417
  C      -2.551104      2.916856      0.018324
  C      -1.444049      3.766984      0.271627
  C      -0.519578      3.427830      1.232304
  C      -0.702821      2.219494      1.939383
  N      -1.708807      1.387180      1.732495
  C      -2.641812      1.700972      0.788888
  C      -3.922384      4.589594      3.106562
  C      -5.041092      4.234896      2.150599
  C      -5.141094      5.186485      0.970504
  O      -6.235136      4.771949      0.119804
  C      -7.495761      5.021246      0.515492
  C      -7.880106      5.865195      1.549535
  C      -9.252360      6.082703      1.789412
  N     -10.246324      5.516810      1.126662
  C      -9.887326      4.630718      0.151246
  C     -10.900673      3.930169     -0.544197
  C     -10.548389      3.022316     -1.518039
  C      -9.177405      2.821433     -1.800501
  N      -8.193250      3.454384     -1.182021
  C      -8.532326      4.344614     -0.212874
  C      -6.920482      2.103133      7.205617
  C      -7.278462      3.514799      7.721562
  C      -6.670181      4.616809      6.854792
  O      -6.626503      4.258814      5.453467
  C      -7.794091      3.865554      4.859168
  C      -9.039335      4.433653      5.123930
  C     -10.143901      3.935401      4.418011
  N     -10.078669      3.005606      3.474299
  C      -8.850686      2.490839      3.163255
  C      -8.728902      1.602782      2.074278
  C      -7.445198      1.180011      1.736920
  C      -6.351007      1.518636      2.516061
  N      -6.413208      2.246895      3.680997
  C      -7.665918      2.841744      3.904089
  H      -4.885374     -1.525700      5.017952
  H      -5.705510     -0.598501      3.761456
  H      -3.335612     -2.494871      3.534423
  H      -4.808924     -2.422582      2.572683
  H      -2.699477     -1.783789      1.349216
  H      -2.498985     -0.385673      2.441764
  H      -5.575981      0.694406     -0.626175
  H      -5.258810      2.853234     -1.808397
  H      -1.369709      4.685837     -0.312539
  H       0.336917      4.066521      1.452335
  H       0.017640      1.923365      2.709732
  H      -2.971826      4.647546      2.531982
  H      -4.090489      5.616400      3.501137
  H      -6.000193      4.234724      2.681724
  H      -4.891239      3.222009      1.754484
  H      -4.261639      5.124531      0.317834
  H      -5.269576      6.236227      1.278644
  H      -7.150646      6.378425      2.172789
  H      -9.535596      6.775257      2.589335
  H     -11.939618      4.127566     -0.275021
  H     -11.302547      2.458898     -2.068181
  H      -8.881998      2.103401     -2.572477
  H      -7.178864      1.372268      7.997783
  H      -7.560347      1.857868      6.348223
  H      -6.919042      3.664240      8.751931
  H      -8.373834      3.604276      7.753272
  H      -5.612691      4.770540      7.106002
  H      -7.196810      5.575226      6.982042
  H      -9.156409      5.237260      5.848651
  H     -11.140713      4.336735      4.630495
  H      -9.615678      1.344518      1.495079
  H      -7.270441      0.571918      0.848626
  H      -5.359359      1.193390      2.223860
98
Coordinates from ORCA-job orca E -6374.154844714237
  N      -3.954330      0.332181      4.487936
  Mo     -4.774598      2.097491      5.005121
  N      -5.546305      1.901052      6.852668
  C      -4.655552      2.000572      8.004077
  C      -3.274671      1.514178      7.613347
  N      -2.924957      2.063653      6.281409
  C      -1.956289      1.197692      5.570506
  C      -2.681172     -0.041533      5.095187
  C      -2.463222      3.465114      6.356072
  C      -2.539683      4.093764      4.977361
  N      -3.775763      3.713194      4.295519
  H      -2.022145     -0.579073      4.389528
  H      -2.854209     -0.748818      5.936010
  H      -1.588009      1.758269      4.702039
  H      -1.097286      0.951064      6.220510
  H      -2.487350      5.193823      5.102636
  H      -1.649581      3.826393      4.367159
  H      -3.144235      3.993267      7.038870
  H      -1.441512      3.521357      6.776443
  H      -5.031843      1.382558      8.842634
  H      -4.600270      3.037590      8.397813
  H      -3.292684      0.421103      7.521727
  H      -2.507585      1.787849      8.359582
  C      -4.701743     -0.863118      4.107872
  C      -4.008802     -1.765659      3.053644
  C      -3.179963     -1.060665      1.996655
  O      -4.051759     -0.324920      1.093056
  C      -3.688409      0.796767      0.436015
  C      -4.571644      1.189141     -0.566244
  C      -4.358152      2.364943     -1.297555
  N      -3.323601      3.178805     -1.123264
  C      -2.443918      2.828277     -0.146370
  C      -1.346073      3.693438      0.094709
  C      -0.452880      3.409637      1.101292
  C      -0.658246      2.241707      1.868214
  N      -1.656978      1.397316      1.675984
  C      -2.558895      1.656633      0.687206
  C      -3.977440      4.651402      3.193429
  C      -5.107151      4.301975      2.246695
  C      -5.201620      5.252463      1.064437
  O      -6.281297      4.840093      0.194506
  C      -7.548565      5.096875      0.559533
  C      -7.950742      5.957855      1.571574
  C      -9.327281      6.182603      1.778760
  N     -10.309308      5.607347      1.105069
  C      -9.933358      4.706873      0.149203
  C     -10.934595      3.998311     -0.557355
  C     -10.565122      3.076466     -1.511773
  C      -9.189748      2.871494     -1.765654
  N      -8.216308      3.511077     -1.135855
  C      -8.571933      4.413584     -0.182941
  C      -6.937613      2.080050      7.230934
  C      -7.277559      3.501089      7.722419
  C      -6.626813      4.562652      6.837115
  O      -6.572412      4.154342      5.450789
  C      -7.749772      3.798308      4.853979
  C      -8.964076      4.439439      5.096113
  C     -10.087790      3.998481      4.384632
  N     -10.066946      3.054310      3.453398
  C      -8.869531      2.457707      3.170045
  C      -8.794197      1.544926      2.098633
  C      -7.539816      1.026941      1.786080
  C      -6.434191      1.304477      2.572275
  N      -6.459540      2.062372      3.720058
  C      -7.672376      2.747162      3.919138
  H      -4.878188     -1.491379      5.007264
  H      -5.691184     -0.566265      3.743402
  H      -3.312808     -2.455992      3.558642
  H      -4.772720     -2.400385      2.576288
  H      -2.641992     -1.801000      1.381942
  H      -2.456140     -0.370272      2.432804
  H      -5.447363      0.571211     -0.763607
  H      -5.091515      2.659424     -2.053155
  H      -1.253291      4.578602     -0.536900
  H       0.396084      4.061291      1.312397
  H       0.037515      1.989633      2.675605
  H      -3.033321      4.716225      2.609281
  H      -4.142468      5.674131      3.599947
  H      -6.063151      4.308265      2.782928
  H      -4.967484      3.285026      1.857786
  H      -4.315128      5.189597      0.420923
  H      -5.332206      6.303149      1.371410
  H      -7.232191      6.478150      2.202234
  H      -9.625678      6.887656      2.561944
  H     -11.978265      4.199894     -0.310740
  H     -11.310223      2.505887     -2.067598
  H      -8.880010      2.143092     -2.522317
  H      -7.208549      1.355579      8.024185
  H      -7.570392      1.838793      6.366613
  H      -6.926646      3.662215      8.754134
  H      -8.370961      3.616826      7.737783
  H      -5.568841      4.696325      7.097442
  H      -7.127223      5.539682      6.926225
  H      -9.044192      5.258922      5.809324
  H     -11.060174      4.463943      4.577848
  H      -9.689005      1.336634      1.513017
  H      -7.397982      0.388742      0.912949
  H      -5.464183      0.902772      2.302865
98
Coordinates from ORCA-job orca E -6374.141225646559
  N      -3.962051      0.305387      4.443194
  Mo     -4.746327      2.079589      4.977406
  N      -5.495588      1.904065      6.835874
  C      -4.587473      1.990676      7.974562
  C      -3.219995      1.481286      7.565295
  N      -2.880112      2.019693      6.226012
  C      -1.937018      1.134622      5.502495
  C      -2.687526     -0.092867      5.031890
  C      -2.395481      3.415562      6.285270
  C      -2.482912      4.038406      4.903215
  N      -3.734874      3.672280      4.242136
  H      -2.045707     -0.635739      4.314788
  H      -2.860509     -0.802485      5.870803
  H      -1.571644      1.689553      4.629620
  H      -1.072555      0.873461      6.139595
  H      -2.410666      5.138435      5.018984
  H      -1.606447      3.751540      4.282432
  H      -3.056844      3.958026      6.975993
  H      -1.366344      3.458072      6.689000
  H      -4.962146      1.380225      8.819338
  H      -4.509637      3.027199      8.365601
  H      -3.255957      0.388334      7.478203
  H      -2.438439      1.745518      8.299901
  C      -4.735357     -0.864971      4.040187
  C      -4.075643     -1.733729      2.938079
  C      -3.254428     -0.980390      1.910250
  O      -4.136230     -0.161736      1.092264
  C      -3.778368      1.019035      0.546140
  C      -4.695551      1.535984     -0.364880
  C      -4.501331      2.795044     -0.948790
  N      -3.455031      3.578016     -0.713335
  C      -2.540207      3.103498      0.175046
  C      -1.425142      3.926114      0.478706
  C      -0.493994      3.511946      1.402583
  C      -0.679348      2.257105      2.023854
  N      -1.695169      1.450328      1.769514
  C      -2.632736      1.836590      0.858248
  C      -3.934109      4.578423      3.114243
  C      -5.083924      4.201995      2.199917
  C      -5.165863      5.075880      0.958528
  O      -6.253852      4.630665      0.116151
  C      -7.516167      4.928797      0.463472
  C      -7.903969      5.844898      1.431224
  C      -9.276680      6.106124      1.621148
  N     -10.267557      5.521505      0.968010
  C      -9.906355      4.572875      0.053633
  C     -10.918732      3.862695     -0.635930
  C     -10.563818      2.897574     -1.552716
  C      -9.191774      2.648695     -1.783854
  N      -8.208455      3.287419     -1.168791
  C      -8.549939      4.234632     -0.254438
  C      -6.881278      2.104099      7.230213
  C      -7.201269      3.533055      7.714474
  C      -6.552487      4.579281      6.810215
  O      -6.531526      4.149213      5.429956
  C      -7.725478      3.847430      4.835707
  C      -8.895415      4.582803      5.022145
  C     -10.031061      4.196169      4.298007
  N     -10.058318      3.214127      3.405938
  C      -8.904060      2.513872      3.186721
  C      -8.870487      1.543081      2.164914
  C      -7.654198      0.907935      1.922540
  C      -6.553125      1.135197      2.731673
  N      -6.551067      1.958895      3.833194
  C      -7.708268      2.749321      3.954496
  H      -4.911367     -1.520005      4.920419
  H      -5.723296     -0.536198      3.697565
  H      -3.383707     -2.461156      3.394384
  H      -4.859811     -2.328329      2.442371
  H      -2.745706     -1.684848      1.231575
  H      -2.508224     -0.334353      2.376102
  H      -5.586132      0.953353     -0.599945
  H      -5.260659      3.184840     -1.632629
  H      -1.349032      4.883819     -0.039000
  H       0.369909      4.127184      1.657805
  H       0.048290      1.899146      2.761273
  H      -2.997823      4.601166      2.514369
  H      -4.075563      5.619290      3.481880
  H      -6.033226      4.267285      2.743344
  H      -4.977326      3.156019      1.881343
  H      -4.283457      4.955948      0.316971
  H      -5.274372      6.146540      1.199039
  H      -7.177016      6.378516      2.041196
  H      -9.564271      6.851527      2.370207
  H     -11.959320      4.099910     -0.408746
  H     -11.318628      2.327823     -2.097073
  H      -8.892685      1.885748     -2.510216
  H      -7.151741      1.389081      8.031905
  H      -7.526720      1.864168      6.374985
  H      -6.834229      3.699220      8.739511
  H      -8.293082      3.660363      7.745192
  H      -5.487337      4.697635      7.046754
  H      -7.034174      5.565922      6.896148
  H      -8.931883      5.437545      5.696387
  H     -10.969031      4.742732      4.442661
  H      -9.761818      1.373711      1.562753
  H      -7.540633      0.211666      1.090428
  H      -5.613205      0.636492      2.524253
98
Coordinates from ORCA-job orca E -6374.154501553610
  N      -3.920960      0.339599      4.512766
  Mo     -4.755501      2.100413      5.019254
  N      -5.533726      1.893603      6.861899
  C      -4.650804      1.997346      8.018942
  C      -3.261727      1.530268      7.633561
  N      -2.910618      2.083365      6.303450
  C      -1.932390      1.223901      5.597476
  C      -2.646054     -0.022575      5.122735
  C      -2.464180      3.489402      6.379345
  C      -2.543014      4.120052      5.002068
  N      -3.772287      3.728024      4.314038
  H      -1.981750     -0.557534      4.420369
  H      -2.815188     -0.728040      5.965881
  H      -1.565233      1.785546      4.729809
  H      -1.073327      0.984847      6.250385
  H      -2.503430      5.220351      5.130839
  H      -1.648101      3.864646      4.394165
  H      -3.152392      4.009328      7.061041
  H      -1.444267      3.556427      6.802773
  H      -5.023561      1.369287      8.851553
  H      -4.611225      3.032508      8.419221
  H      -3.265066      0.437214      7.540454
  H      -2.502458      1.812194      8.384741
  C      -4.664708     -0.860617      4.140305
  C      -3.991165     -1.767031      3.078289
  C      -3.185942     -1.073827      1.998551
  O      -4.078054     -0.335629      1.118044
  C      -3.728180      0.781609      0.447815
  C      -4.649497      1.181954     -0.515966
  C      -4.456825      2.355910     -1.255432
  N      -3.409034      3.160656     -1.124836
  C      -2.492260      2.803370     -0.185276
  C      -1.377527      3.658808      0.007286
  C      -0.442324      3.365188      0.971644
  C      -0.623177      2.197877      1.745659
  N      -1.638304      1.363889      1.599486
  C      -2.580948      1.632281      0.652478
  C      -3.967272      4.660782      3.204484
  C      -5.089891      4.311357      2.248252
  C      -5.169041      5.251839      1.058331
  O      -6.243262      4.836051      0.183994
  C      -7.506838      5.110968      0.548196
  C      -7.888665      5.990958      1.551274
  C      -9.259925      6.239412      1.765746
  N     -10.255590      5.673370      1.104135
  C      -9.901000      4.758678      0.153590
  C     -10.920007      4.069134     -0.547355
  C     -10.574040      3.136651     -1.500089
  C      -9.204622      2.900390     -1.755945
  N      -8.214291      3.520374     -1.130336
  C      -8.546526      4.436230     -0.181453
  C      -6.933260      2.038216      7.230942
  C      -7.330244      3.442381      7.731146
  C      -6.721579      4.542559      6.865393
  O      -6.651217      4.145115      5.478600
  C      -7.814189      3.776250      4.863284
  C      -9.040646      4.407587      5.066345
  C     -10.133786      3.966512      4.308668
  N     -10.071701      3.031297      3.368745
  C      -8.862421      2.436161      3.135189
  C      -8.733734      1.533627      2.060357
  C      -7.463633      1.023257      1.799000
  C      -6.395099      1.294059      2.638142
  N      -6.479922      2.041562      3.790889
  C      -7.700269      2.725398      3.934448
  H      -4.823344     -1.486991      5.044384
  H      -5.661020     -0.568865      3.790924
  H      -3.285790     -2.455515      3.572829
  H      -4.766495     -2.402432      2.620721
  H      -2.675678     -1.823565      1.371388
  H      -2.442266     -0.387921      2.407567
  H      -5.538968      0.572914     -0.675893
  H      -5.216928      2.654696     -1.982550
  H      -1.304933      4.543606     -0.627470
  H       0.421679      4.008496      1.143851
  H       0.107680      1.936492      2.517933
  H      -3.019500      4.728135      2.626431
  H      -4.138324      5.683030      3.609859
  H      -6.050035      4.332099      2.776490
  H      -4.955217      3.289616      1.869070
  H      -4.274744      5.184028      0.425799
  H      -5.303458      6.304993      1.357237
  H      -7.157120      6.506203      2.171622
  H      -9.542058      6.957221      2.543255
  H     -11.958337      4.294659     -0.299005
  H     -11.334200      2.582591     -2.053531
  H      -8.914698      2.163700     -2.512639
  H      -7.189624      1.301821      8.017539
  H      -7.550332      1.783732      6.356725
  H      -6.995889      3.605744      8.767647
  H      -8.427495      3.514621      7.738487
  H      -5.669681      4.718912      7.123823
  H      -7.262377      5.496951      6.963554
  H      -9.152766      5.223834      5.779081
  H     -11.113534      4.430700      4.463558
  H      -9.599023      1.327537      1.432874
  H      -7.279592      0.395868      0.925488
  H      -5.409348      0.900393      2.407645
98
Coordinates from ORCA-job orca E -6374.152427731815
  N      -4.027123      0.332154      4.442526
  Mo     -4.803224      2.110444      4.980869
  N      -5.542450      1.926526      6.840810
  C      -4.630917      2.009992      7.976558
  C      -3.269329      1.491453      7.561627
  N      -2.932672      2.035541      6.224053
  C      -1.994506      1.149651      5.496454
  C      -2.754596     -0.072539      5.028851
  C      -2.443652      3.428479      6.297152
  C      -2.533909      4.067989      4.924772
  N      -3.787680      3.714614      4.260438
  H      -2.119145     -0.620759      4.309375
  H      -2.929916     -0.779764      5.869307
  H      -1.625736      1.705011      4.624450
  H      -1.131958      0.881370      6.133032
  H      -2.458444      5.165991      5.055145
  H      -1.659499      3.787317      4.297852
  H      -3.102647      3.964584      6.995313
  H      -1.413669      3.463772      6.699118
  H      -5.006050      1.403167      8.823695
  H      -4.544905      3.046888      8.364710
  H      -3.314090      0.399141      7.470611
  H      -2.482329      1.747670      8.293185
  C      -4.799450     -0.838206      4.038312
  C      -4.108078     -1.740042      2.984599
  C      -3.236711     -1.040320      1.958849
  O      -4.062466     -0.271762      1.038003
  C      -3.657473      0.862081      0.425537
  C      -4.466356      1.265844     -0.633618
  C      -4.205428      2.451663     -1.332144
  N      -3.190416      3.266873     -1.071496
  C      -2.383715      2.906139     -0.037211
  C      -1.312192      3.773671      0.295877
  C      -0.495295      3.481476      1.362993
  C      -0.750846      2.302902      2.097245
  N      -1.726460      1.454969      1.820350
  C      -2.553085      1.722292      0.769954
  C      -3.970843      4.653109      3.152831
  C      -5.090085      4.311508      2.192624
  C      -5.190594      5.265204      1.015666
  O      -6.265283      4.828631      0.150730
  C      -7.535113      5.039696      0.539573
  C      -7.947291      5.877326      1.567783
  C      -9.325982      6.051661      1.805688
  N     -10.300664      5.448219      1.147281
  C      -9.912938      4.568968      0.176652
  C     -10.903589      3.833471     -0.515725
  C     -10.522728      2.934077     -1.486490
  C      -9.146859      2.776687     -1.769415
  N      -8.182577      3.442630     -1.153426
  C      -8.549048      4.325088     -0.186055
  C      -6.919020      2.152140      7.238851
  C      -7.194040      3.591574      7.711027
  C      -6.524413      4.609660      6.788241
  O      -6.505767      4.177735      5.407099
  C      -7.705010      3.826719      4.853163
  C      -8.904085      4.471819      5.152718
  C     -10.064549      4.027856      4.504947
  N     -10.095224      3.072889      3.586673
  C      -8.915968      2.470866      3.244761
  C      -8.908149      1.540751      2.186384
  C      -7.678003      1.006991      1.812925
  C      -6.525939      1.297423      2.523323
  N      -6.474964      2.083759      3.653016
  C      -7.675763      2.768322      3.920641
  H      -5.000461     -1.476081      4.925832
  H      -5.777562     -0.513678      3.666127
  H      -3.439569     -2.452742      3.495759
  H      -4.875166     -2.350733      2.481410
  H      -2.702810     -1.787546      1.348907
  H      -2.505564     -0.375675      2.423402
  H      -5.320749      0.646053     -0.904603
  H      -4.881827      2.752796     -2.136510
  H      -1.178224      4.667773     -0.315410
  H       0.331062      4.134847      1.646120
  H      -0.117983      2.046143      2.952481
  H      -3.021917      4.717075      2.576564
  H      -4.134697      5.674017      3.564022
  H      -6.050535      4.310339      2.722945
  H      -4.939599      3.302048      1.789067
  H      -4.300509      5.220003      0.375355
  H      -5.342287      6.311744      1.325031
  H      -7.234911      6.417040      2.188436
  H      -9.632312      6.739075      2.601563
  H     -11.948255      3.998209     -0.247011
  H     -11.258413      2.344789     -2.034250
  H      -8.831043      2.066117     -2.540374
  H      -7.202638      1.448807      8.047075
  H      -7.571525      1.920658      6.387306
  H      -6.811586      3.759005      8.730868
  H      -8.282061      3.747042      7.750657
  H      -5.458324      4.716181      7.029128
  H      -6.993505      5.603110      6.866576
  H      -8.946531      5.293450      5.866327
  H     -11.025225      4.494359      4.748039
  H      -9.838209      1.328542      1.658272
  H      -7.591710      0.350885      0.946396
  H      -5.575740      0.887383      2.199325
98
Coordinates from ORCA-job orca E -6374.154797287220
  N      -3.963226      0.334816      4.497962
  Mo     -4.787105      2.093457      5.028846
  N      -5.560961      1.888108      6.872583
  C      -4.672408      1.973481      8.026724
  C      -3.290198      1.493338      7.633107
  N      -2.939412      2.054580      6.306285
  C      -1.968433      1.196402      5.589127
  C      -2.688679     -0.041289      5.099922
  C      -2.486022      3.458460      6.392219
  C      -2.565564      4.100810      5.019404
  N      -3.796992      3.717245      4.330030
  H      -2.027838     -0.567032      4.387256
  H      -2.857973     -0.759413      5.932326
  H      -1.600976      1.766239      4.726844
  H      -1.108769      0.946095      6.237035
  H      -2.521732      5.200049      5.155718
  H      -1.672371      3.846080      4.408621
  H      -3.169949      3.975910      7.080419
  H      -1.464502      3.517797      6.812874
  H      -5.050260      1.345362      8.856988
  H      -4.618243      3.005738      8.432763
  H      -3.304343      0.401063      7.532543
  H      -2.525171      1.762836      8.383032
  C      -4.707939     -0.852504      4.091023
  C      -4.017516     -1.734970      3.018435
  C      -3.192140     -1.017165      1.967471
  O      -4.066733     -0.256700      1.086973
  C      -3.693285      0.857224      0.421868
  C      -4.593483      1.271336     -0.556268
  C      -4.373261      2.443763     -1.291151
  N      -3.315393      3.232460     -1.145260
  C      -2.416593      2.859062     -0.194666
  C      -1.289228      3.694574      0.011473
  C      -0.371084      3.384267      0.987119
  C      -0.582238      2.220718      1.758742
  N      -1.610313      1.404718      1.600305
  C      -2.536220      1.689782      0.641865
  C      -3.992007      4.645842      3.219056
  C      -5.100887      4.271031      2.255888
  C      -5.189654      5.210076      1.064508
  O      -6.256442      4.782766      0.185812
  C      -7.527612      5.027649      0.547792
  C      -7.936295      5.880792      1.564234
  C      -9.314283      6.088690      1.778673
  N     -10.292349      5.507923      1.103924
  C      -9.909967      4.621490      0.137492
  C     -10.907293      3.916375     -0.578051
  C     -10.532675      3.009928     -1.545010
  C      -9.156352      2.816039     -1.801002
  N      -8.185820      3.451439     -1.161488
  C      -8.546387      4.341233     -0.198501
  C      -6.951691      2.080308      7.249223
  C      -7.281491      3.502140      7.747348
  C      -6.623021      4.569762      6.875436
  O      -6.572202      4.171609      5.486097
  C      -7.753879      3.846218      4.881891
  C      -8.956126      4.511582      5.118893
  C     -10.083211      4.101303      4.394472
  N     -10.077218      3.158811      3.460583
  C      -8.892796      2.529967      3.190985
  C      -8.830880      1.607492      2.127017
  C      -7.587416      1.055311      1.828209
  C      -6.479706      1.314286      2.617981
  N      -6.495883      2.084444      3.758013
  C      -7.694251      2.795828      3.945761
  H      -4.884083     -1.498831      4.977821
  H      -5.697362     -0.547350      3.732248
  H      -3.320622     -2.435217      3.508637
  H      -4.785262     -2.359841      2.534210
  H      -2.671182     -1.753449      1.333104
  H      -2.454982     -0.341950      2.405918
  H      -5.488315      0.674598     -0.731304
  H      -5.118297      2.754988     -2.028662
  H      -1.193103      4.578023     -0.622043
  H       0.501917      4.012202      1.170300
  H       0.133961      1.947674      2.540751
  H      -3.040241      4.723173      2.649196
  H      -4.180850      5.667400      3.618276
  H      -6.065582      4.269635      2.777374
  H      -4.939769      3.252694      1.876961
  H      -4.292911      5.152178      0.434646
  H      -5.335673      6.261336      1.362797
  H      -7.221361      6.403152      2.197168
  H      -9.617780      6.783861      2.568679
  H     -11.952138      4.108274     -0.328756
  H     -11.275524      2.443177     -2.108067
  H      -8.843733      2.100258     -2.568492
  H      -7.231932      1.356657      8.039768
  H      -7.583012      1.849046      6.380302
  H      -6.933218      3.651587      8.781589
  H      -8.374146      3.625473      7.760646
  H      -5.563820      4.695970      7.134123
  H      -7.118302      5.548714      6.972398
  H      -9.025358      5.326147      5.838746
  H     -11.045388      4.590291      4.580385
  H      -9.725820      1.412568      1.537667
  H      -7.456126      0.404724      0.962648
  H      -5.516930      0.887893      2.358645
98
Coordinates from ORCA-job orca E -6374.153719193566
  N      -3.930425      0.341076      4.497578
  Mo     -4.746049      2.112557      4.996999
  N      -5.522597      1.919624      6.844176
  C      -4.634743      2.026970      7.997074
  C      -3.252347      1.540315      7.611850
  N      -2.898026      2.080378      6.277136
  C      -1.930596      1.206946      5.574127
  C      -2.658728     -0.032806      5.106763
  C      -2.430701      3.479633      6.343200
  C      -2.504220      4.100719      4.961639
  N      -3.743263      3.724653      4.282844
  H      -2.001994     -0.578420      4.405838
  H      -2.834253     -0.732267      5.953690
  H      -1.558886      1.760326      4.702965
  H      -1.073627      0.961162      6.227190
  H      -2.445869      5.201145      5.082494
  H      -1.616210      3.826405      4.351580
  H      -3.109223      4.014217      7.022949
  H      -1.408830      3.533717      6.763339
  H      -5.011230      1.411582      8.837450
  H      -4.583291      3.065740      8.386590
  H      -3.271014      0.446814      7.525548
  H      -2.487370      1.817162      8.359032
  C      -4.682852     -0.856418      4.134105
  C      -4.004150     -1.775538      3.084818
  C      -3.188767     -1.086070      2.009899
  O      -4.079507     -0.361125      1.118397
  C      -3.737124      0.767560      0.464989
  C      -4.648916      1.170770     -0.506355
  C      -4.459638      2.359059     -1.224143
  N      -3.425228      3.176193     -1.062463
  C      -2.519911      2.815983     -0.112538
  C      -1.421734      3.683877      0.117386
  C      -0.500780      3.386202      1.094657
  C      -0.680002      2.203352      1.845786
  N      -1.680829      1.358837      1.666017
  C      -2.607224      1.629968      0.703532
  C      -3.936349      4.660029      3.176081
  C      -5.080742      4.329321      2.239058
  C      -5.160185      5.268224      1.046412
  O      -6.246519      4.867098      0.180353
  C      -7.503626      5.171159      0.543023
  C      -7.868844      6.084778      1.521785
  C      -9.235502      6.362356      1.730331
  N     -10.241181      5.793321      1.086209
  C      -9.903229      4.843083      0.164886
  C     -10.934165      4.141967     -0.507136
  C     -10.604306      3.171296     -1.427276
  C      -9.238700      2.912148     -1.683662
  N      -8.238399      3.542568     -1.085820
  C      -8.554829      4.491379     -0.164195
  C      -6.920834      2.068382      7.220347
  C      -7.324216      3.479442      7.696809
  C      -6.735427      4.562353      6.797399
  O      -6.672422      4.123133      5.423909
  C      -7.832320      3.707368      4.832591
  C      -9.075682      4.305330      5.034435
  C     -10.162758      3.809636      4.301895
  N     -10.079237      2.862336      3.376029
  C      -8.852277      2.309021      3.134426
  C      -8.698104      1.412674      2.057749
  C      -7.410745      0.954477      1.784818
  C      -6.348569      1.264900      2.618005
  N      -6.452927      2.003441      3.773166
  C      -7.694706      2.644931      3.921582
  H      -4.853703     -1.472550      5.043003
  H      -5.673833     -0.560907      3.773541
  H      -3.304079     -2.462686      3.588475
  H      -4.776937     -2.411981      2.624362
  H      -2.661728     -1.833515      1.394079
  H      -2.458686     -0.389056      2.424937
  H      -5.528803      0.553786     -0.688108
  H      -5.213398      2.660153     -1.956743
  H      -1.350142      4.580611     -0.500466
  H       0.350835      4.038037      1.294261
  H       0.040832      1.938148      2.627490
  H      -2.994841      4.706611      2.585697
  H      -4.081252      5.686821      3.580008
  H      -6.030810      4.368634      2.782603
  H      -4.971887      3.303333      1.861987
  H      -4.273738      5.187244      0.404505
  H      -5.276714      6.324293      1.342324
  H      -7.127694      6.606734      2.125120
  H      -9.504516      7.108398      2.485437
  H     -11.968282      4.387481     -0.260158
  H     -11.373641      2.604515     -1.955095
  H      -8.960459      2.146766     -2.415885
  H      -7.167657      1.344698      8.021783
  H      -7.544205      1.794603      6.357407
  H      -6.979581      3.670089      8.725412
  H      -8.421929      3.542300      7.714350
  H      -5.683647      4.756740      7.042966
  H      -7.285758      5.513186      6.874210
  H      -9.205114      5.135808      5.726799
  H     -11.155544      4.244975      4.458092
  H      -9.558728      1.177535      1.434801
  H      -7.207573      0.339001      0.906854
  H      -5.351120      0.915834      2.380078
98
Coordinates from ORCA-job orca E -6374.155182705909
  N      -3.949878      0.326213      4.489017
  Mo     -4.770313      2.091284      5.004949
  N      -5.543616      1.897452      6.851426
  C      -4.653993      1.990548      8.004159
  C      -3.273331      1.504163      7.613219
  N      -2.921914      2.055978      6.282735
  C      -1.952434      1.191680      5.571495
  C      -2.675630     -0.047503      5.092954
  C      -2.462150      3.457897      6.360054
  C      -2.539112      4.090139      4.983107
  N      -3.773601      3.709292      4.298307
  H      -2.016649     -0.581193      4.384529
  H      -2.846147     -0.757786      5.931856
  H      -1.584111      1.754432      4.704687
  H      -1.093349      0.944203      6.221165
  H      -2.488947      5.190008      5.111719
  H      -1.648026      3.826304      4.372925
  H      -3.143476      3.983162      7.044659
  H      -1.440282      3.514810      6.780050
  H      -5.032186      1.369758      8.839756
  H      -4.597612      3.025930      8.401880
  H      -3.291356      0.411291      7.519277
  H      -2.507025      1.776038      8.360939
  C      -4.696255     -0.867527      4.103406
  C      -4.006206     -1.761965      3.040850
  C      -3.183441     -1.049128      1.985000
  O      -4.062155     -0.302009      1.097613
  C      -3.702597      0.823437      0.444835
  C      -4.599428      1.228817     -0.539873
  C      -4.392319      2.410756     -1.263158
  N      -3.351991      3.218888     -1.097211
  C      -2.458958      2.855949     -0.137055
  C      -1.353498      3.714030      0.094288
  C      -0.444378      3.415595      1.082189
  C      -0.642466      2.241395      1.841226
  N      -1.649628      1.404629      1.659238
  C      -2.565810      1.676984      0.687428
  C      -3.968825      4.644084      3.191746
  C      -5.093433      4.291727      2.239296
  C      -5.180663      5.235529      1.051860
  O      -6.254765      4.817526      0.178190
  C      -7.521552      5.086381      0.537747
  C      -7.916975      5.971062      1.531954
  C      -9.291542      6.209011      1.736913
  N     -10.278150      5.628778      1.074169
  C      -9.909595      4.708946      0.134054
  C     -10.917522      4.001632     -0.564436
  C     -10.556676      3.061965     -1.504589
  C      -9.183147      2.836906     -1.751004
  N      -8.203339      3.474129     -1.127843
  C      -8.550478      4.396183     -0.190748
  C      -6.935354      2.078733      7.230165
  C      -7.282091      3.498571      7.723083
  C      -6.645536      4.569569      6.839573
  O      -6.595271      4.157307      5.455503
  C      -7.774342      3.801310      4.864192
  C      -8.988515      4.445289      5.098744
  C     -10.110155      4.001834      4.385244
  N     -10.087518      3.052389      3.458771
  C      -8.890477      2.448848      3.187841
  C      -8.808411      1.530650      2.121745
  C      -7.552440      1.009101      1.820675
  C      -6.452132      1.287801      2.614127
  N      -6.486173      2.051005      3.758303
  C      -7.697250      2.741900      3.940406
  H      -4.868844     -1.501802      4.999471
  H      -5.686801     -0.569178      3.743255
  H      -3.306964     -2.455275      3.537358
  H      -4.772612     -2.393432      2.563084
  H      -2.653927     -1.785770      1.358374
  H      -2.453727     -0.364277      2.420329
  H      -5.481577      0.617511     -0.729081
  H      -5.135022      2.713892     -2.006187
  H      -1.267199      4.604971     -0.530070
  H       0.411628      4.060812      1.284501
  H       0.067105      1.977236      2.632643
  H      -3.021929      4.710264      2.612293
  H      -4.137974      5.666772      3.596666
  H      -6.051660      4.304059      2.771583
  H      -4.953107      3.272695      1.854836
  H      -4.288090      5.173094      0.416554
  H      -5.317793      6.287134      1.353105
  H      -7.193962      6.498795      2.151320
  H      -9.584397      6.931151      2.506417
  H     -11.959364      4.218875     -0.323503
  H     -11.307842      2.493085     -2.054519
  H      -8.880970      2.094784     -2.497401
  H      -7.205128      1.355683      8.024942
  H      -7.566763      1.835347      6.364411
  H      -6.930142      3.659960      8.754343
  H      -8.376372      3.605583      7.742152
  H      -5.587513      4.716373      7.092372
  H      -7.157084      5.540677      6.930680
  H      -9.070895      5.268439      5.807219
  H     -11.081727      4.472347      4.570173
  H      -9.698484      1.319588      1.530884
  H      -7.405235      0.366827      0.951377
  H      -5.480318      0.883752      2.354570
98
Coordinates from ORCA-job orca E -6374.155080065656
  N      -3.962287      0.335360      4.488214
  Mo     -4.767862      2.103126      5.018902
  N      -5.534492      1.907210      6.867386
  C      -4.639145      1.989275      8.016611
  C      -3.263165      1.495548      7.616797
  N      -2.914128      2.050779      6.287048
  C      -1.953646      1.184014      5.566136
  C      -2.686561     -0.048437      5.083561
  C      -2.445871      3.449956      6.369230
  C      -2.526404      4.090433      4.996038
  N      -3.764920      3.717537      4.314253
  H      -2.033879     -0.580906      4.368216
  H      -2.856416     -0.763492      5.918496
  H      -1.586165      1.749455      4.700547
  H      -1.092800      0.927867      6.210115
  H      -2.471670      5.189332      5.130259
  H      -1.638787      3.826468      4.380769
  H      -3.120698      3.975473      7.060087
  H      -1.421611      3.499120      6.784333
  H      -5.017596      1.366175      8.850389
  H      -4.574587      3.022013      8.419959
  H      -3.288549      0.403243      7.518428
  H      -2.491478      1.759259      8.361941
  C      -4.719641     -0.853000      4.106253
  C      -4.040783     -1.753449      3.041137
  C      -3.224376     -1.044270      1.978082
  O      -4.109377     -0.294308      1.099729
  C      -3.752410      0.830793      0.444923
  C      -4.655525      1.240819     -0.532039
  C      -4.449436      2.423380     -1.254888
  N      -3.405692      3.228235     -1.094520
  C      -2.508280      2.862217     -0.139581
  C      -1.401415      3.719072      0.089554
  C      -0.490112      3.419164      1.075128
  C      -0.686851      2.244160      1.833175
  N      -1.694327      1.407623      1.651954
  C      -2.613284      1.682134      0.683317
  C      -3.963654      4.658691      3.213868
  C      -5.081295      4.303038      2.254352
  C      -5.175546      5.258847      1.076996
  O      -6.238600      4.834079      0.192809
  C      -7.513236      5.059375      0.555291
  C      -7.936280      5.896874      1.578825
  C      -9.317633      6.085824      1.789341
  N     -10.285708      5.499656      1.104908
  C      -9.888547      4.626275      0.132628
  C     -10.873793      3.915661     -0.593986
  C     -10.483616      3.022656     -1.567329
  C      -9.103621      2.847197     -1.818025
  N      -8.144269      3.489441     -1.169132
  C      -8.520284      4.366261     -0.200284
  C      -6.924166      2.091013      7.251146
  C      -7.265165      3.515428      7.733835
  C      -6.622434      4.577014      6.842264
  O      -6.570139      4.160656      5.457620
  C      -7.749166      3.820808      4.855675
  C      -8.955802      4.481874      5.081919
  C     -10.077125      4.059573      4.355031
  N     -10.060810      3.112854      3.425876
  C      -8.871156      2.491044      3.163629
  C      -8.795994      1.571755      2.097572
  C      -7.545864      1.031866      1.804165
  C      -6.446860      1.295187      2.604442
  N      -6.476111      2.058998      3.748064
  C      -7.679220      2.764921      3.926225
  H      -4.893722     -1.485767      5.002982
  H      -5.709755     -0.546704      3.750426
  H      -3.340112     -2.447845      3.534062
  H      -4.812493     -2.383699      2.570359
  H      -2.701394     -1.781713      1.346956
  H      -2.490139     -0.361122      2.408484
  H      -5.541034      0.632415     -0.715979
  H      -5.196229      2.730221     -1.992225
  H      -1.316485      4.611067     -0.533496
  H       0.366377      4.064024      1.276513
  H       0.023656      1.979401      2.623487
  H      -3.015425      4.735644      2.637776
  H      -4.141660      5.677434      3.624865
  H      -6.041829      4.297545      2.782949
  H      -4.926293      3.290176      1.859241
  H      -4.279191      5.216545      0.445550
  H      -5.328543      6.304574      1.389790
  H      -7.230384      6.421855      2.219735
  H      -9.632851      6.769746      2.584629
  H     -11.922045      4.093221     -0.348315
  H     -11.216464      2.452593     -2.140022
  H      -8.778441      2.141783     -2.589824
  H      -7.191657      1.373831      8.052167
  H      -7.559608      1.842546      6.390654
  H      -6.912366      3.682448      8.763872
  H      -8.358957      3.627160      7.751953
  H      -5.564043      4.717708      7.097126
  H      -7.127483      5.551887      6.928000
  H      -9.032145      5.302289      5.794195
  H     -11.043298      4.543601      4.533446
  H      -9.685659      1.373433      1.501138
  H      -7.402015      0.388972      0.934685
  H      -5.479280      0.878572      2.350628
98
Coordinates from ORCA-job orca E -6374.155250284848
  N      -3.959410      0.334999      4.482474
  Mo     -4.768959      2.100159      5.014772
  N      -5.534773      1.902881      6.862862
  C      -4.639758      1.982034      8.012447
  C      -3.262634      1.492907      7.611871
  N      -2.914585      2.050436      6.282838
  C      -1.952933      1.185763      5.561421
  C      -2.683473     -0.047748      5.078005
  C      -2.449452      3.450557      6.365456
  C      -2.532507      4.092338      4.992892
  N      -3.770582      3.717265      4.311010
  H      -2.029537     -0.578451      4.362724
  H      -2.852587     -0.763712      5.912285
  H      -1.587077      1.752140      4.696093
  H      -1.090921      0.930916      6.204430
  H      -2.480604      5.191301      5.128516
  H      -1.644653      3.831774      4.376721
  H      -3.124458      3.973880      7.057729
  H      -1.424772      3.501542      6.779451
  H      -5.017433      1.355711      8.844132
  H      -4.577153      3.013665      8.418955
  H      -3.284376      0.400623      7.512228
  H      -2.492257      1.758187      8.357809
  C      -4.716285     -0.852335      4.096573
  C      -4.037289     -1.751877      3.030261
  C      -3.215080     -1.044583      1.970565
  O      -4.093174     -0.292925      1.087046
  C      -3.731317      0.834387      0.439394
  C      -4.630803      1.250815     -0.538118
  C      -4.420768      2.436743     -1.254358
  N      -3.376197      3.238943     -1.087070
  C      -2.482068      2.866642     -0.131588
  C      -1.374515      3.720588      0.104668
  C      -0.465737      3.413809      1.090266
  C      -0.665883      2.234995      1.841695
  N      -1.674759      1.401557      1.654294
  C      -2.590941      1.682477      0.684999
  C      -3.969282      4.655170      3.207993
  C      -5.092149      4.298801      2.254149
  C      -5.180804      5.243301      1.067445
  O      -6.242783      4.815217      0.184189
  C      -7.515272      5.068139      0.534384
  C      -7.928704      5.943593      1.529271
  C      -9.307787      6.160357      1.727811
  N     -10.282325      5.569502      1.056178
  C      -9.895438      4.661147      0.112131
  C     -10.889101      3.946675     -0.599967
  C     -10.509265      3.017911     -1.543724
  C      -9.131290      2.810647     -1.779582
  N      -8.164368      3.455399     -1.143936
  C      -8.530118      4.367983     -0.204465
  C      -6.924618      2.087721      7.246690
  C      -7.266205      3.510151      7.735186
  C      -6.626984      4.577723      6.848848
  O      -6.581194      4.162273      5.465020
  C      -7.761836      3.811970      4.873351
  C      -8.973998      4.459273      5.109897
  C     -10.095793      4.026723      4.390308
  N     -10.076196      3.082054      3.458815
  C      -8.882707      2.470141      3.190566
  C      -8.805446      1.551369      2.124729
  C      -7.552740      1.021478      1.823753
  C      -6.449737      1.297271      2.614436
  N      -6.478410      2.064804      3.755886
  C      -7.688273      2.756938      3.943677
  H      -4.890867     -1.486257      4.992386
  H      -5.705813     -0.545020      3.740066
  H      -3.339951     -2.449648      3.523179
  H      -4.810216     -2.378631      2.556976
  H      -2.692282     -1.783866      1.341367
  H      -2.479991     -0.363453      2.402722
  H      -5.517153      0.645723     -0.727397
  H      -5.165008      2.748344     -1.992324
  H      -1.286860      4.615757     -0.513436
  H       0.391380      4.056267      1.296661
  H       0.043027      1.964154      2.631414
  H      -3.022887      4.726307      2.628262
  H      -4.142495      5.676255      3.615393
  H      -6.051061      4.307176      2.785415
  H      -4.946967      3.280114      1.869840
  H      -4.282615      5.192372      0.438873
  H      -5.332057      6.292634      1.370310
  H      -7.216762      6.476810      2.156896
  H      -9.615573      6.873195      2.500156
  H     -11.935457      4.149167     -0.365866
  H     -11.249270      2.444138     -2.104028
  H      -8.813558      2.075964     -2.526890
  H      -7.193502      1.367790      8.044395
  H      -7.559459      1.844493      6.383304
  H      -6.915159      3.672862      8.766462
  H      -8.360162      3.621126      7.753007
  H      -5.567777      4.721811      7.097938
  H      -7.135026      5.550707      6.938972
  H      -9.055119      5.277932      5.823778
  H     -11.064558      4.503580      4.573499
  H      -9.696790      1.343996      1.534838
  H      -7.409502      0.377936      0.954556
  H      -5.479268      0.890222      2.353957
98
Coordinates from ORCA-job orca E -6374.155024227023
  N      -3.953299      0.319843      4.467823
  Mo     -4.765922      2.088509      4.985589
  N      -5.532797      1.901435      6.836241
  C      -4.636582      1.988226      7.984517
  C      -3.260257      1.495363      7.586580
  N      -2.912622      2.047628      6.255586
  C      -1.948042      1.181754      5.539664
  C      -2.675956     -0.055783      5.064488
  C      -2.447854      3.447852      6.332815
  C      -2.527816      4.081016      4.956543
  N      -3.764940      3.702764      4.275420
  H      -2.021525     -0.589899      4.352052
  H      -2.842810     -0.766334      5.903877
  H      -1.582345      1.744188      4.671370
  H      -1.086739      0.932136      6.185517
  H      -2.475396      5.180662      5.085595
  H      -1.639012      3.815975      4.343425
  H      -3.124995      3.974872      7.020253
  H      -1.424293      3.500792      6.749042
  H      -5.013921      1.367983      8.820891
  H      -4.573087      3.022637      8.383938
  H      -3.284440      0.402740      7.490909
  H      -2.488973      1.762256      8.331001
  C      -4.705337     -0.874131      4.092864
  C      -4.022152     -1.774578      3.031078
  C      -3.198355     -1.063410      1.974883
  O      -4.074816     -0.309573      1.090812
  C      -3.712419      0.823710      0.452648
  C      -4.593792      1.232625     -0.544273
  C      -4.378461      2.420632     -1.255561
  N      -3.345687      3.232827     -1.064154
  C      -2.470260      2.868603     -0.088476
  C      -1.377736      3.734022      0.175080
  C      -0.490662      3.436924      1.183330
  C      -0.696901      2.255726      1.929112
  N      -1.691071      1.410980      1.715769
  C      -2.586425      1.682538      0.724301
  C      -3.964864      4.644318      3.175067
  C      -5.088961      4.296106      2.221053
  C      -5.182132      5.249411      1.041741
  O      -6.253049      4.828726      0.165623
  C      -7.522690      5.073853      0.531850
  C      -7.930219      5.936482      1.540484
  C      -9.308099      6.148269      1.752114
  N     -10.286507      5.560823      1.083620
  C      -9.904873      4.659931      0.130498
  C     -10.901880      3.941236     -0.571878
  C     -10.526920      3.018286     -1.523146
  C      -9.150273      2.822024     -1.777351
  N      -8.180684      3.471774     -1.151879
  C      -8.541605      4.376447     -0.203263
  C      -6.920929      2.089348      7.225800
  C      -7.257027      3.509111      7.727957
  C      -6.622513      4.580831      6.844188
  O      -6.586200      4.175327      5.457464
  C      -7.771255      3.830592      4.870613
  C      -8.978905      4.486449      5.106225
  C     -10.106163      4.050451      4.396464
  N     -10.093954      3.098891      3.472141
  C      -8.902494      2.485995      3.198177
  C      -8.829478      1.566225      2.132437
  C      -7.577059      1.037724      1.828248
  C      -6.473833      1.308565      2.620631
  N      -6.501515      2.067861      3.767202
  C      -7.706076      2.768997      3.949193
  H      -4.877016     -1.503604      4.992429
  H      -5.696044     -0.574265      3.734897
  H      -3.324641     -2.469839      3.527223
  H      -4.791681     -2.403745      2.555287
  H      -2.670155     -1.799180      1.346254
  H      -2.467369     -0.381816      2.413009
  H      -5.469467      0.618588     -0.754166
  H      -5.109835      2.726455     -2.008402
  H      -1.284488      4.630321     -0.440559
  H       0.353975      4.088491      1.411443
  H      -0.005858      1.993049      2.737286
  H      -3.018781      4.716464      2.594812
  H      -4.135671      5.663959      3.586756
  H      -6.046529      4.299458      2.754340
  H      -4.943982      3.281400      1.827298
  H      -4.289469      5.199386      0.405497
  H      -5.327347      6.297147      1.351829
  H      -7.214562      6.466646      2.166289
  H      -9.611023      6.853785      2.533094
  H     -11.946692      4.136062     -0.324614
  H     -11.268881      2.440657     -2.076218
  H      -8.836448      2.092833     -2.531617
  H      -7.186767      1.365603      8.021373
  H      -7.561787      1.850172      6.366405
  H      -6.895693      3.664282      8.756891
  H      -8.350663      3.620863      7.756314
  H      -5.561483      4.718515      7.089531
  H      -7.127340      5.554406      6.944372
  H      -9.051883      5.312699      5.811843
  H     -11.073527      4.529087      4.583015
  H      -9.722382      1.361571      1.543061
  H      -7.434882      0.396392      0.957425
  H      -5.505065      0.898682      2.359259
98
Coordinates from ORCA-job orca E -6374.155266935596
  N      -3.954467      0.330282      4.480790
  Mo     -4.770436      2.094830      5.008026
  N      -5.537473      1.901026      6.856035
  C      -4.643374      1.984664      8.006084
  C      -3.265483      1.496109      7.607594
  N      -2.917755      2.052937      6.278381
  C      -1.951930      1.191145      5.559388
  C      -2.677197     -0.045819      5.077515
  C      -2.456748      3.454352      6.360333
  C      -2.539146      4.093353      4.986620
  N      -3.774894      3.713582      4.303537
  H      -2.020558     -0.574913      4.363430
  H      -2.843765     -0.760934      5.913052
  H      -1.587060      1.757776      4.693695
  H      -1.089930      0.940373      6.203967
  H      -2.490618      5.192696      5.120157
  H      -1.649416      3.833987      4.372553
  H      -3.134242      3.976765      7.050872
  H      -1.432803      3.508437      6.775626
  H      -5.020664      1.360001      8.839171
  H      -4.582413      3.017552      8.409587
  H      -3.285943      0.403650      7.509251
  H      -2.495843      1.763317      8.353644
  C      -4.706717     -0.861844      4.100416
  C      -4.025433     -1.761195      3.035688
  C      -3.207050     -1.051997      1.974023
  O      -4.087952     -0.297548      1.095303
  C      -3.727398      0.831758      0.449568
  C      -4.627358      1.249334     -0.527001
  C      -4.418648      2.436882     -1.240996
  N      -3.374671      3.239643     -1.072734
  C      -2.479521      2.865927     -0.118754
  C      -1.371851      3.719789      0.117503
  C      -0.462422      3.412364      1.102350
  C      -0.661807      2.232708      1.852360
  N      -1.670127      1.398696      1.664245
  C      -2.587372      1.680328      0.696031
  C      -3.973676      4.650753      3.199523
  C      -5.093130      4.293595      2.242382
  C      -5.181186      5.239423      1.056712
  O      -6.247485      4.815629      0.176463
  C      -7.518652      5.067106      0.533307
  C      -7.928434      5.934748      1.536633
  C      -9.306648      6.152954      1.739472
  N     -10.283719      5.568883      1.065958
  C      -9.900508      4.665609      0.115740
  C     -10.896756      3.954261     -0.595462
  C     -10.520417      3.029706     -1.544718
  C      -9.143331      2.824170     -1.787592
  N      -8.174194      3.466491     -1.153252
  C      -8.536429      4.373567     -0.207375
  C      -6.926865      2.087761      7.240264
  C      -7.263072      3.509564      7.733576
  C      -6.623254      4.575161      6.846250
  O      -6.577634      4.160149      5.462384
  C      -7.759291      3.811731      4.871758
  C      -8.969339      4.462531      5.108997
  C     -10.093445      4.031038      4.391974
  N     -10.077015      3.086510      3.460568
  C      -8.884486      2.474417      3.188699
  C      -8.809352      1.559460      2.119338
  C      -7.557395      1.029225      1.816291
  C      -6.455197      1.297289      2.610718
  N      -6.483164      2.056947      3.757293
  C      -7.689588      2.755093      3.943529
  H      -4.878150     -1.494113      4.998064
  H      -5.697641     -0.559878      3.743977
  H      -3.325011     -2.455356      3.529341
  H      -4.796647     -2.391755      2.564575
  H      -2.685620     -1.789758      1.341953
  H      -2.471188     -0.371608      2.405898
  H      -5.513569      0.644040     -0.716922
  H      -5.164228      2.749988     -1.976876
  H      -1.284746      4.615588     -0.499753
  H       0.394581      4.054876      1.309045
  H       0.047132      1.961825      2.642035
  H      -3.025915      4.723977      2.622354
  H      -4.149772      5.671456      3.606476
  H      -6.053203      4.299493      2.771337
  H      -4.944970      3.276122      1.856466
  H      -4.284815      5.185796      0.425839
  H      -5.328172      6.288886      1.360705
  H      -7.214181      6.462443      2.166112
  H      -9.611292      6.860795      2.517652
  H     -11.942234      4.155666     -0.356499
  H     -11.262108      2.457725     -2.104249
  H      -8.828598      2.093539     -2.540110
  H      -7.197127      1.366977      8.036889
  H      -7.562686      1.847302      6.377099
  H      -6.905846      3.669124      8.763328
  H      -8.356631      3.623466      7.757310
  H      -5.563922      4.717367      7.096306
  H      -7.129827      5.548958      6.936058
  H      -9.047528      5.282052      5.822206
  H     -11.061546      4.508231      4.578116
  H      -9.701096      1.357511      1.527621
  H      -7.414482      0.390010      0.943927
  H      -5.486101      0.887558      2.350454
98
Coordinates from ORCA-job orca E -6374.155180175958
  N      -3.972864      0.338219      4.462361
  Mo     -4.767948      2.107983      4.998883
  N      -5.531859      1.913548      6.848926
  C      -4.632705      1.985998      7.995814
  C      -3.260168      1.487187      7.591367
  N      -2.910518      2.043243      6.261987
  C      -1.957323      1.171087      5.537874
  C      -2.698781     -0.055912      5.054599
  C      -2.433382      3.439338      6.344375
  C      -2.516162      4.083957      4.972999
  N      -3.759448      3.719161      4.294909
  H      -2.050845     -0.591106      4.337276
  H      -2.871992     -0.771393      5.888424
  H      -1.588370      1.735212      4.672468
  H      -1.096400      0.908272      6.179136
  H      -2.455687      5.182219      5.110587
  H      -1.632497      3.818245      4.353100
  H      -3.102298      3.967337      7.038949
  H      -1.407292      3.481391      6.755734
  H      -5.012666      1.362561      8.828648
  H      -4.561664      3.017033      8.402700
  H      -3.291752      0.395331      7.489944
  H      -2.485889      1.744914      8.335850
  C      -4.741300     -0.842009      4.077592
  C      -4.075597     -1.745433      3.006232
  C      -3.242082     -1.043010      1.952182
  O      -4.107569     -0.269531      1.075198
  C      -3.729383      0.862731      0.445751
  C      -4.622877      1.309388     -0.523683
  C      -4.393443      2.502537     -1.221914
  N      -3.335683      3.284794     -1.042916
  C      -2.448092      2.884036     -0.092916
  C      -1.327928      3.717281      0.157758
  C      -0.424562      3.381042      1.138624
  C      -0.642993      2.193132      1.870536
  N      -1.664353      1.378569      1.669359
  C      -2.575927      1.688914      0.704672
  C      -3.963043      4.667534      3.201832
  C      -5.094896      4.321198      2.255040
  C      -5.195494      5.274177      1.076154
  O      -6.251592      4.835779      0.190682
  C      -7.527783      5.064571      0.543543
  C      -7.956290      5.934347      1.536931
  C      -9.339103      6.124482      1.737598
  N     -10.303129      5.512035      1.070043
  C      -9.900297      4.607352      0.129248
  C     -10.881183      3.869301     -0.576703
  C     -10.485141      2.943330     -1.516410
  C      -9.103723      2.762652     -1.754566
  N      -8.148465      3.430475     -1.125058
  C      -8.530182      4.340754     -0.189642
  C      -6.919747      2.104848      7.236848
  C      -7.258785      3.529967      7.721949
  C      -6.620122      4.597273      6.833261
  O      -6.583900      4.183832      5.448483
  C      -7.767173      3.835338      4.860876
  C      -8.979020      4.482473      5.099649
  C     -10.103352      4.043339      4.387775
  N     -10.087167      3.090372      3.464436
  C      -8.894201      2.478325      3.194123
  C      -8.821203      1.547070      2.138574
  C      -7.568382      1.018784      1.834497
  C      -6.460582      1.308834      2.613444
  N      -6.484785      2.087619      3.747244
  C      -7.696021      2.776500      3.936282
  H      -4.919377     -1.475297      4.973066
  H      -5.728851     -0.524625      3.724355
  H      -3.389390     -2.457407      3.494419
  H      -4.857883     -2.356659      2.528052
  H      -2.730048     -1.784578      1.316968
  H      -2.497242     -0.376771      2.390587
  H      -5.519681      0.722536     -0.721025
  H      -5.133681      2.837627     -1.953432
  H      -1.226600      4.620681     -0.446119
  H       0.442093      4.006997      1.355626
  H       0.061675      1.898171      2.655515
  H      -3.021020      4.740191      2.615021
  H      -4.129849      5.685446      3.619497
  H      -6.049039      4.325004      2.795109
  H      -4.953264      3.305514      1.861039
  H      -4.297251      5.240845      0.446484
  H      -5.361361      6.318882      1.386813
  H      -7.253782      6.483125      2.161945
  H      -9.659459      6.834235      2.507717
  H     -11.930761      4.051945     -0.340637
  H     -11.214610      2.352107     -2.072487
  H      -8.772769      2.030788     -2.498893
  H      -7.186836      1.387246      8.037225
  H      -7.559510      1.860709      6.377220
  H      -6.908215      3.695091      8.752918
  H      -8.352612      3.641921      7.738797
  H      -5.558865      4.735599      7.076388
  H      -7.123537      5.572121      6.928485
  H      -9.057401      5.304534      5.809967
  H     -11.072438      4.518866      4.573020
  H      -9.716165      1.328673      1.558441
  H      -7.428452      0.366398      0.971354
  H      -5.490053      0.903337      2.350517
98
Coordinates from ORCA-job orca E -6374.155281367222
  N      -3.961761      0.333335      4.472226
  Mo     -4.769177      2.099658      5.005706
  N      -5.532858      1.905233      6.855175
  C      -4.635577      1.982933      8.003170
  C      -3.260589      1.489820      7.600387
  N      -2.913425      2.047613      6.271364
  C      -1.953190      1.182626      5.548608
  C      -2.685081     -0.050081      5.065651
  C      -2.445876      3.446833      6.354673
  C      -2.529798      4.089427      4.982651
  N      -3.769103      3.716093      4.302289
  H      -2.032284     -0.580643      4.349177
  H      -2.853337     -0.766183      5.899988
  H      -1.587584      1.749238      4.683290
  H      -1.090933      0.926525      6.190771
  H      -2.476569      5.188244      5.118722
  H      -1.642965      3.828147      4.365274
  H      -3.118997      3.970763      7.048296
  H      -1.420509      3.495458      6.767121
  H      -5.013372      1.358142      8.835937
  H      -4.569632      3.014725      8.408721
  H      -3.286023      0.397681      7.499801
  H      -2.488171      1.752234      8.345243
  C      -4.721280     -0.854010      4.091537
  C      -4.047797     -1.755631      3.023615
  C      -3.225502     -1.049947      1.962684
  O      -4.101410     -0.287974      1.085539
  C      -3.735541      0.844113      0.447855
  C      -4.632816      1.271889     -0.526689
  C      -4.417850      2.462575     -1.233571
  N      -3.370540      3.259716     -1.059152
  C      -2.478366      2.876576     -0.106108
  C      -1.367680      3.724530      0.137222
  C      -0.460387      3.406817      1.120733
  C      -0.665099      2.222729      1.862367
  N      -1.676755      1.394348      1.667811
  C      -2.592020      1.686122      0.700769
  C      -3.969462      4.657637      3.202369
  C      -5.092236      4.304123      2.247692
  C      -5.184409      5.252882      1.064676
  O      -6.243996      4.821588      0.179878
  C      -7.518566      5.061459      0.532200
  C      -7.940018      5.928607      1.531019
  C      -9.321007      6.134383      1.728193
  N     -10.290092      5.538805      1.053105
  C      -9.895007      4.635653      0.107644
  C     -10.881980      3.912887     -0.605134
  C     -10.493558      2.988324     -1.549490
  C      -9.113710      2.794201     -1.785906
  N      -8.152938      3.447612     -1.150071
  C      -8.527097      4.355124     -0.209155
  C      -6.921068      2.094147      7.242900
  C      -7.255428      3.516489      7.736713
  C      -6.617001      4.583124      6.848915
  O      -6.576411      4.170272      5.464234
  C      -7.759608      3.823599      4.875591
  C      -8.969173      4.474236      5.115865
  C     -10.094813      4.042671      4.401319
  N     -10.080759      3.097175      3.470773
  C      -8.889139      2.484181      3.196829
  C      -8.817337      1.565719      2.130213
  C      -7.566329      1.034417      1.824776
  C      -6.461146      1.306012      2.613937
  N      -6.485453      2.070008      3.757815
  C      -7.691921      2.767402      3.946852
  H      -4.894166     -1.486450      4.988735
  H      -5.711329     -0.545914      3.737645
  H      -3.351705     -2.456077      3.514528
  H      -4.824174     -2.379467      2.552040
  H      -2.709520     -1.789891      1.328753
  H      -2.484737     -0.375366      2.395155
  H      -5.521771      0.672138     -0.721025
  H      -5.161364      2.783037     -1.968341
  H      -1.276504      4.624022     -0.474042
  H       0.399020      4.044461      1.332450
  H       0.042395      1.943136      2.650384
  H      -3.023388      4.731379      2.622437
  H      -4.143019      5.677072      3.613528
  H      -6.050652      4.308525      2.779735
  H      -4.945305      3.287532      1.858591
  H      -4.285809      5.208991      0.436187
  H      -5.341511      6.300162      1.371215
  H      -7.233010      6.465032      2.161385
  H      -9.635206      6.842211      2.502578
  H     -11.930161      4.105654     -0.370934
  H     -11.227776      2.407788     -2.110147
  H      -8.789213      2.063447     -2.534147
  H      -7.190075      1.373389      8.039920
  H      -7.559556      1.854713      6.381406
  H      -6.897341      3.675717      8.766166
  H      -8.348881      3.630948      7.761574
  H      -5.556664      4.723565      7.095461
  H      -7.122053      5.557393      6.942108
  H      -9.045800      5.293371      5.829695
  H     -11.062394      4.520238      4.589191
  H      -9.711187      1.361046      1.542772
  H      -7.426306      0.392111      0.954185
  H      -5.492611      0.895763      2.351675
98
Coordinates from ORCA-job orca E -6374.155260758626
  N      -3.952343      0.331400      4.476663
  Mo     -4.767710      2.096811      5.002742
  N      -5.530963      1.909253      6.852380
  C      -4.634402      1.992790      8.000607
  C      -3.257034      1.504334      7.599673
  N      -2.912002      2.058382      6.268640
  C      -1.947705      1.195477      5.548881
  C      -2.673107     -0.042849      5.070416
  C      -2.451182      3.460080      6.346198
  C      -2.537957      4.096627      4.971461
  N      -3.774673      3.713207      4.292081
  H      -2.017637     -0.571568      4.354925
  H      -2.836519     -0.757545      5.906928
  H      -1.585362      1.760830      4.681296
  H      -1.083744      0.946336      6.191519
  H      -2.491649      5.196260      5.103394
  H      -1.649169      3.838375      4.355613
  H      -3.126515      3.983697      7.037929
  H      -1.425946      3.515394      6.758173
  H      -5.010112      1.367632      8.834052
  H      -4.573126      3.025447      8.404688
  H      -3.276930      0.411677      7.503477
  H      -2.486048      1.773248      8.343741
  C      -4.706160     -0.861375      4.101524
  C      -4.027640     -1.765385      3.038882
  C      -3.205241     -1.061312      1.977077
  O      -4.081134     -0.299453      1.099899
  C      -3.713734      0.830834      0.460047
  C      -4.608691      1.257539     -0.517020
  C      -4.391387      2.447312     -1.224983
  N      -3.344263      3.244348     -1.049028
  C      -2.454527      2.862173     -0.093272
  C      -1.344438      3.710176      0.152478
  C      -0.440216      3.393433      1.139251
  C      -0.647273      2.210224      1.881613
  N      -1.658514      1.381824      1.684709
  C      -2.570766      1.672809      0.714645
  C      -3.981277      4.649203      3.189036
  C      -5.104136      4.287856      2.237099
  C      -5.196650      5.233252      1.051276
  O      -6.268480      4.813711      0.175847
  C      -7.537285      5.067682      0.538994
  C      -7.940450      5.928332      1.550977
  C      -9.317264      6.148827      1.761039
  N     -10.298746      5.573911      1.085850
  C      -9.921935      4.678183      0.125928
  C     -10.922979      3.977897     -0.589703
  C     -10.552948      3.061155     -1.549129
  C      -9.177226      2.852006     -1.796996
  N      -8.203963      3.484433     -1.159004
  C      -8.560003      4.384204     -0.204003
  C      -6.920061      2.094136      7.238920
  C      -7.261885      3.517882      7.723495
  C      -6.626788      4.582266      6.830830
  O      -6.582351      4.159888      5.448809
  C      -7.763268      3.806850      4.859917
  C      -8.975299      4.455332      5.093477
  C     -10.097401      4.018268      4.376669
  N     -10.077730      3.069508      3.449431
  C      -8.883469      2.458671      3.181996
  C      -8.804937      1.537205      2.118374
  C      -7.551147      1.009153      1.818676
  C      -6.449878      1.286098      2.611317
  N      -6.480966      2.052400      3.753239
  C      -7.689957      2.747188      3.935668
  H      -4.877354     -1.490212      5.001593
  H      -5.697035     -0.559123      3.744826
  H      -3.330080     -2.461319      3.534167
  H      -4.801166     -2.393708      2.568570
  H      -2.689402     -1.801894      1.343770
  H      -2.464374     -0.386440      2.409187
  H      -5.497753      0.658210     -0.712528
  H      -5.132659      2.766998     -1.962374
  H      -1.251188      4.609082     -0.459343
  H       0.418504      4.031345      1.352953
  H       0.057585      1.931449      2.672343
  H      -3.036163      4.724854      2.607712
  H      -4.159120      5.669666      3.595847
  H      -6.062089      4.293443      2.769708
  H      -4.956503      3.269405      1.853070
  H      -4.303831      5.177507      0.415662
  H      -5.339457      6.283019      1.356396
  H      -7.222180      6.447592      2.182920
  H      -9.616849      6.850242      2.546939
  H     -11.967039      4.181529     -0.346389
  H     -11.298709      2.498370     -2.112849
  H      -8.866683      2.127197     -2.556827
  H      -7.185491      1.377657      8.040977
  H      -7.557367      1.845894      6.379010
  H      -6.906600      3.684542      8.752711
  H      -8.355936      3.627271      7.745425
  H      -5.567385      4.729102      7.077542
  H      -7.136475      5.554716      6.917012
  H      -9.056514      5.276922      5.803917
  H     -11.066798      4.494134      4.559490
  H      -9.695746      1.327355      1.528391
  H      -7.405948      0.364997      0.950277
  H      -5.479188      0.878349      2.354038
98
Coordinates from ORCA-job orca E -6374.155283716134
  N      -3.957068      0.332346      4.473876
  Mo     -4.767944      2.098214      5.004779
  N      -5.532589      1.906749      6.853812
  C      -4.636191      1.986239      8.002425
  C      -3.260408      1.494066      7.601059
  N      -2.913057      2.050845      6.271722
  C      -1.950782      1.186866      5.550557
  C      -2.679853     -0.047752      5.068233
  C      -2.447829      3.450892      6.353764
  C      -2.531930      4.091688      4.980897
  N      -3.769871      3.714825      4.300052
  H      -2.025429     -0.577261      4.352439
  H      -2.846887     -0.763610      5.903033
  H      -1.585625      1.753343      4.684962
  H      -1.088458      0.933020      6.193535
  H      -2.481356      5.190775      5.115761
  H      -1.644005      3.831664      4.364571
  H      -3.122043      3.974563      7.046520
  H      -1.422711      3.501589      6.766579
  H      -5.014004      1.361591      8.835288
  H      -4.571644      3.018382      8.407289
  H      -3.284459      0.401778      7.501666
  H      -2.488774      1.758157      8.346159
  C      -4.714581     -0.856986      4.095440
  C      -4.039759     -1.759544      3.029155
  C      -3.219300     -1.054853      1.966095
  O      -4.096474     -0.293656      1.089461
  C      -3.731812      0.838466      0.451085
  C      -4.629178      1.264571     -0.524073
  C      -4.415532      2.455302     -1.231363
  N      -3.369572      3.254135     -1.056585
  C      -2.477297      2.872604     -0.102976
  C      -1.368081      3.722338      0.140783
  C      -0.460817      3.406255      1.124872
  C      -0.664060      2.221988      1.866560
  N      -1.674351      1.392013      1.671632
  C      -2.589605      1.682173      0.704131
  C      -3.971902      4.654836      3.199242
  C      -5.093637      4.298564      2.244327
  C      -5.185504      5.246691      1.060797
  O      -6.248793      4.819493      0.178493
  C      -7.521634      5.063042      0.534540
  C      -7.937454      5.926087      1.539284
  C      -9.317172      6.136414      1.740483
  N     -10.290120      5.548897      1.063909
  C      -9.900718      4.649613      0.112433
  C     -10.892095      3.935335     -0.602764
  C     -10.509414      3.014829     -1.553455
  C      -9.130807      2.816156     -1.793509
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  C      -8.534620      4.365261     -0.208760
  C      -6.921113      2.095462      7.240513
  C      -7.256687      3.518414      7.731809
  C      -6.619473      4.584001      6.841964
  O      -6.577713      4.167918      5.458234
  C      -7.760213      3.818793      4.869898
  C      -8.970695      4.468407      5.108228
  C     -10.095466      4.033806      4.394063
  N     -10.079703      3.086492      3.465400
  C      -8.887013      2.474786      3.193087
  C      -8.813261      1.554596      2.128071
  C      -7.561439      1.023995      1.824759
  C      -6.457326      1.298110      2.614507
  N      -6.483289      2.064406      3.756763
  C      -7.690735      2.760739      3.943482
  H      -4.886522     -1.488150      4.993735
  H      -5.705062     -0.551144      3.740842
  H      -3.341942     -2.457415      3.521321
  H      -4.815236     -2.386028      2.559602
  H      -2.704415     -1.795476      1.332072
  H      -2.477801     -0.379848      2.396731
  H      -5.517329      0.663653     -0.718663
  H      -5.159023      2.774202     -1.966824
  H      -1.277990      4.621866     -0.470588
  H       0.397427      4.045348      1.336943
  H       0.043315      1.943745      2.655146
  H      -3.025667      4.729949      2.619743
  H      -4.147815      5.674345      3.609219
  H      -6.052341      4.302647      2.775743
  H      -4.945654      3.281641      1.856516
  H      -4.288483      5.199263      0.430328
  H      -5.338398      6.294625      1.367285
  H      -7.226924      6.455800      2.171350
  H      -9.626824      6.840800      2.519811
  H     -11.939032      4.131402     -0.365714
  H     -11.247199      2.441057     -2.116453
  H      -8.810672      2.088675     -2.546790
  H      -7.189897      1.376122      8.038899
  H      -7.559120      1.853855      6.379256
  H      -6.898251      3.679673      8.760827
  H      -8.350251      3.631805      7.757013
  H      -5.559438      4.726580      7.088591
  H      -7.126004      5.557713      6.932708
  H      -9.048817      5.288734      5.820508
  H     -11.063872      4.510146      4.580886
  H      -9.706367      1.347656      1.540352
  H      -7.419935      0.380116      0.955569
  H      -5.488296      0.887968      2.354234
98
Coordinates from ORCA-job orca E -6374.155282809083
  N      -3.962982      0.334343      4.468293
  Mo     -4.770222      2.100002      5.004738
  N      -5.529609      1.905604      6.855876
  C      -4.629395      1.981507      8.001755
  C      -3.255490      1.488629      7.595042
  N      -2.911438      2.048010      6.265926
  C      -1.952243      1.184509      5.539981
  C      -2.684123     -0.048360      5.057375
  C      -2.444510      3.447393      6.349654
  C      -2.532117      4.091356      4.978485
  N      -3.772291      3.716979      4.300258
  H      -2.032778     -0.577031      4.338142
  H      -2.849065     -0.765818      5.891206
  H      -1.589157      1.752419      4.674468
  H      -1.088213      0.928354      6.179750
  H      -2.480192      5.190102      5.115613
  H      -1.646231      3.831950      4.359000
  H      -3.116194      3.970204      7.045499
  H      -1.418164      3.496101      6.759629
  H      -5.005377      1.355689      8.834571
  H      -4.562324      3.012734      8.408583
  H      -3.281422      0.396624      7.493081
  H      -2.481268      1.749937      8.338418
  C      -4.723654     -0.853269      4.090982
  C      -4.053642     -1.755792      3.021741
  C      -3.230825     -1.051788      1.960147
  O      -4.104704     -0.283484      1.086449
  C      -3.735126      0.849907      0.453243
  C      -4.631878      1.285889     -0.518085
  C      -4.412589      2.478672     -1.220208
  N      -3.361600      3.270490     -1.043707
  C      -2.469986      2.879490     -0.093355
  C      -1.355719      3.721916      0.152728
  C      -0.448715      3.396172      1.133868
  C      -0.657359      2.209467      1.870196
  N      -1.672548      1.386094      1.672939
  C      -2.587770      1.685969      0.708390
  C      -3.976130      4.659207      3.201546
  C      -5.098037      4.303561      2.246552
  C      -5.191251      5.252658      1.063890
  O      -6.248610      4.819450      0.177309
  C      -7.524251      5.056503      0.527457
  C      -7.949412      5.921322      1.526738
  C      -9.331209      6.124385      1.721133
  N     -10.297777      5.528246      1.042922
  C      -9.899042      4.627242      0.096968
  C     -10.883202      3.904234     -0.619460
  C     -10.491144      2.981781     -1.564369
  C      -9.110430      2.789947     -1.797587
  N      -8.152194      3.443931     -1.158501
  C      -8.529956      4.349518     -0.217144
  C      -6.916577      2.095386      7.247575
  C      -7.248556      3.518234      7.741593
  C      -6.610841      4.583974      6.852103
  O      -6.573688      4.170600      5.467395
  C      -7.758348      3.826055      4.880561
  C      -8.966518      4.478573      5.122819
  C     -10.093857      4.049067      4.409681
  N     -10.082673      3.103944      3.478712
  C      -8.892441      2.489119      3.202785
  C      -8.823565      1.571074      2.135561
  C      -7.573701      1.038357      1.827852
  C      -6.467008      1.307926      2.615592
  N      -6.488736      2.070683      3.760377
  C      -7.693776      2.770074      3.951321
  H      -4.894026     -1.485007      4.989158
  H      -5.714621     -0.545317      3.739571
  H      -3.358337     -2.457979      3.511323
  H      -4.832195     -2.377666      2.551151
  H      -2.720258     -1.793020      1.323355
  H      -2.485520     -0.381790      2.392119
  H      -5.523986      0.691249     -0.713725
  H      -5.155868      2.805388     -1.952423
  H      -1.261724      4.623827     -0.454537
  H       0.413344      4.029536      1.347642
  H       0.049808      1.923399      2.656148
  H      -3.030480      4.736176      2.621354
  H      -4.152485      5.677691      3.613845
  H      -6.056656      4.305969      2.778199
  H      -4.948944      3.287266      1.857413
  H      -4.291797      5.211313      0.436452
  H      -5.351473      6.299320      1.370908
  H      -7.244737      6.457842      2.159656
  H      -9.648377      6.830377      2.495977
  H     -11.932244      4.095202     -0.387622
  H     -11.223124      2.401315     -2.127993
  H      -8.782873      2.060862     -2.546116
  H      -7.183573      1.375165      8.045732
  H      -7.557929      1.856053      6.388234
  H      -6.888238      3.677458      8.770269
  H      -8.341843      3.633764      7.768545
  H      -5.549762      4.723001      7.096178
  H      -7.114489      5.558875      6.946109
  H      -9.040781      5.297311      5.837362
  H     -11.060444      4.528010      4.599244
  H      -9.718640      1.367616      1.549540
  H      -7.435710      0.396485      0.956601
  H      -5.499456      0.896380      2.351748
98
Coordinates from ORCA-job orca E -6374.155285824348
  N      -3.959866      0.333581      4.470263
  Mo     -4.768841      2.099425      5.004120
  N      -5.531119      1.907059      6.854108
  C      -4.632840      1.984409      8.001429
  C      -3.258225      1.491188      7.597450
  N      -2.912148      2.049349      6.268363
  C      -1.951401      1.185562      5.544884
  C      -2.681895     -0.048005      5.061989
  C      -2.445724      3.448943      6.351505
  C      -2.531407      4.091538      4.979561
  N      -3.770432      3.716008      4.299916
  H      -2.028932     -0.576849      4.344371
  H      -2.847959     -0.764883      5.896108
  H      -1.586945      1.752883      4.679565
  H      -1.088439      0.930263      6.186436
  H      -2.480187      5.190434      5.115713
  H      -1.644466      3.831885      4.361689
  H      -3.118531      3.972253      7.045886
  H      -1.419980      3.498282      6.762906
  H      -5.010082      1.359385      8.834266
  H      -4.566605      3.016085      8.407212
  H      -3.283875      0.399075      7.496523
  H      -2.485201      1.753279      8.341809
  C      -4.719409     -0.854727      4.092795
  C      -4.047776     -1.757704      3.024884
  C      -3.226367     -1.054187      1.961798
  O      -4.101650     -0.288344      1.087288
  C      -3.734240      0.844852      0.452392
  C      -4.631169      1.276776     -0.520584
  C      -4.414430      2.468939     -1.224540
  N      -3.365857      3.264007     -1.048238
  C      -2.474024      2.876931     -0.096473
  C      -1.362155      3.722674      0.149076
  C      -0.454968      3.400846      1.131356
  C      -0.661004      2.214757      1.869350
  N      -1.673914      1.388410      1.672698
  C      -2.589255      1.684330      0.707042
  C      -3.973716      4.657477      3.200548
  C      -5.095209      4.301169      2.245354
  C      -5.188025      5.250058      1.062518
  O      -6.248367      4.819866      0.178037
  C      -7.522672      5.059630      0.531308
  C      -7.943450      5.922823      1.533861
  C      -9.324284      6.129007      1.731725
  N     -10.293866      5.537231      1.054029
  C      -9.899503      4.637583      0.104965
  C     -10.887041      3.918659     -0.610894
  C     -10.499372      2.997436     -1.558838
  C      -9.119627      2.802798     -1.795614
  N      -8.158395      3.453010     -1.157195
  C      -8.531812      4.357194     -0.212868
  C      -6.918793      2.096948      7.243280
  C      -7.252018      3.520037      7.735788
  C      -6.614813      4.585334      6.845503
  O      -6.575602      4.170043      5.461472
  C      -7.759258      3.822617      4.874449
  C      -8.968737      4.473280      5.115047
  C     -10.094991      4.040197      4.402293
  N     -10.081534      3.093517      3.472948
  C      -8.889844      2.480917      3.198262
  C      -8.818596      1.561409      2.132455
  C      -7.567665      1.030031      1.826776
  C      -6.462117      1.302522      2.615093
  N      -6.485764      2.067625      3.758240
  C      -7.692174      2.765221      3.947072
  H      -4.890470     -1.486022      4.991168
  H      -5.710164     -0.547603      3.740060
  H      -3.351161     -2.457812      3.515596
  H      -4.825283     -2.381783      2.555475
  H      -2.715254     -1.795797      1.325881
  H      -2.481671     -0.382646      2.392347
  H      -5.521518      0.679436     -0.716118
  H      -5.157820      2.792320     -1.958119
  H      -1.270056      4.623850     -0.459564
  H       0.405293      4.036788      1.344716
  H       0.046320      1.931840      2.656311
  H      -3.027720      4.734209      2.620889
  H      -4.150524      5.676209      3.612038
  H      -6.053947      4.303792      2.776737
  H      -4.946140      3.284695      1.856671
  H      -4.289811      5.205947      0.433498
  H      -5.344901      6.297234      1.369518
  H      -7.236012      6.455811      2.166650
  H      -9.637908      6.833687      2.509198
  H     -11.935098      4.111733     -0.376346
  H     -11.234034      2.420040     -2.122173
  H      -8.795508      2.074716     -2.546604
  H      -7.186931      1.377387      8.041674
  H      -7.558652      1.856564      6.383068
  H      -6.891885      3.680450      8.764346
  H      -8.345406      3.634685      7.762591
  H      -5.554219      4.726258      7.090636
  H      -7.119929      5.559658      6.937586
  H      -9.044904      5.293053      5.828191
  H     -11.062710      4.517199      4.591020
  H      -9.712864      1.355555      1.546086
  H      -7.427955      0.386741      0.956851
  H      -5.493880      0.891549      2.353066
98
Coordinates from ORCA-job orca E -6374.155286782418
  N      -3.959338      0.333799      4.469459
  Mo     -4.768693      2.099537      5.003390
  N      -5.530823      1.907653      6.853431
  C      -4.632382      1.984781      8.000663
  C      -3.257903      1.491382      7.596465
  N      -2.911889      2.049754      6.267471
  C      -1.950962      1.186284      5.543877
  C      -2.681109     -0.047429      5.060825
  C      -2.445661      3.449398      6.350781
  C      -2.531601      4.092137      4.978915
  N      -3.770481      3.716148      4.299261
  H      -2.028070     -0.575796      4.342927
  H      -2.846707     -0.764561      5.894823
  H      -1.586642      1.753833      4.678660
  H      -1.087935      0.931088      6.185387
  H      -2.480885      5.191036      5.115206
  H      -1.644569      3.832937      4.360999
  H      -3.118435      3.972527      7.045325
  H      -1.419868      3.498801      6.762046
  H      -5.009621      1.359732      8.833480
  H      -4.565980      3.016413      8.406517
  H      -3.283793      0.399293      7.495291
  H      -2.484755      1.753158      8.340809
  C      -4.719009     -0.854699      4.092886
  C      -4.048028     -1.758188      3.024982
  C      -3.226884     -1.055540      1.961106
  O      -4.101961     -0.288682      1.087264
  C      -3.734157      0.844888      0.453275
  C      -4.631059      1.278095     -0.519141
  C      -4.413939      2.470816     -1.222052
  N      -3.365090      3.265380     -1.045063
  C      -2.473279      2.877068     -0.093776
  C      -1.361101      3.722193      0.152507
  C      -0.453759      3.398940      1.134183
  C      -0.659968      2.212037      1.870806
  N      -1.673260      1.386310      1.673525
  C      -2.588780      1.683646      0.708489
  C      -3.974494      4.657927      3.200290
  C      -5.095467      4.301034      2.244711
  C      -5.188653      5.250345      1.062253
  O      -6.249022      4.820282      0.177722
  C      -7.523321      5.059506      0.531355
  C      -7.944158      5.921707      1.534744
  C      -9.325008      6.127496      1.732901
  N     -10.294556      5.536219      1.054721
  C      -9.900127      4.637428      0.104875
  C     -10.887606      3.918973     -0.611535
  C     -10.499867      2.998534     -1.560219
  C      -9.120101      2.804250     -1.797189
  N      -8.158938      3.454134     -1.158333
  C      -8.532417      4.357506     -0.213275
  C      -6.918375      2.097897      7.242851
  C      -7.251256      3.521155      7.735117
  C      -6.614391      4.586201      6.844265
  O      -6.575547      4.170438      5.460364
  C      -7.759331      3.822698      4.873824
  C      -8.968838      4.473247      5.114598
  C     -10.095314      4.039481      4.402597
  N     -10.082026      3.092366      3.473703
  C      -8.890279      2.480013      3.198689
  C      -8.819241      1.560132      2.133187
  C      -7.568325      1.028803      1.827343
  C      -6.462569      1.301764      2.615207
  N      -6.485888      2.067455      3.757973
  C      -7.692377      2.764916      3.946888
  H      -4.889577     -1.485644      4.991606
  H      -5.709961     -0.547772      3.740537
  H      -3.351275     -2.458211      3.515639
  H      -4.825923     -2.382333      2.556296
  H      -2.717360     -1.797837      1.324713
  H      -2.480922     -0.384885      2.390849
  H      -5.521771      0.681423     -0.715079
  H      -5.157303      2.795040     -1.955276
  H      -1.268876      4.624012     -0.455160
  H       0.406766      4.034359      1.348035
  H       0.047521      1.927935      2.657202
  H      -3.028454      4.735770      2.620854
  H      -4.152355      5.676308      3.612186
  H      -6.054321      4.302768      2.775848
  H      -4.945574      3.284776      1.855756
  H      -4.290492      5.206681      0.433126
  H      -5.345882      6.297339      1.369691
  H      -7.236745      6.454224      2.167957
  H      -9.638669      6.831406      2.511051
  H     -11.935678      4.111758     -0.376811
  H     -11.234467      2.421481     -2.123993
  H      -8.795885      2.076787     -2.548736
  H      -7.186436      1.378597      8.041507
  H      -7.558508      1.857383      6.382881
  H      -6.890550      3.681796      8.763440
  H      -8.344622      3.635851      7.762493
  H      -5.553736      4.727270      7.089054
  H      -7.119548      5.560519      6.936171
  H      -9.044853      5.293322      5.827401
  H     -11.063096      4.516248      4.591608
  H      -9.713688      1.353832      1.547253
  H      -7.428758      0.385155      0.957652
  H      -5.494423      0.890653      2.353093
